USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 893 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 109 TYR OH : rot 165:sc= -1.01 USER MOD Set 1.2: A 113 LYS NZ :NH3+ -174:sc= 1.1 (180deg=1.07) USER MOD Single : A 9 GLN : amide:sc= -3.54 K(o=-3.5,f=-1.9) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.68) USER MOD Single : A 15 GLN : amide:sc= -4.19! C(o=-4.2!,f=-7.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 20 ASN : amide:sc= -1.7 K(o=-1.7,f=-5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -124:sc= -1.94 (180deg=-4.98!) USER MOD Single : A 34 SER OG : rot -18:sc= -0.534 USER MOD Single : A 36 MET CE :methyl -121:sc= -0.888 (180deg=-4.21!) USER MOD Single : A 37 GLN : amide:sc=-0.000902 X(o=-0.0009,f=-0.088) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 44 ASN : amide:sc= -1.87! C(o=-1.9!,f=-3.6!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0426 USER MOD Single : A 61 ASN : amide:sc= -4.04! C(o=-4!,f=-4.8!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.486 K(o=-0.49,f=-1.6!) USER MOD Single : A 102 TYR OH : rot -64:sc= -0.258 USER MOD Single : A 103 MET CE :methyl 149:sc= -0.317 (180deg=-1.34!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.264 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 CYS SG : rot 101:sc= -0.0462 USER MOD Single : A 114 LYS NZ :NH3+ -158:sc= -0.0316 (180deg=-0.594) USER MOD Single : A 115 ASN : amide:sc= -0.393 K(o=-0.39,f=-3.2!) USER MOD Single : A 117 SER OG : rot -115:sc= -2.17! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.443 -13.508 14.482 1.00 0.00 N ATOM 79 CA GLU A 8 111.051 -14.114 13.179 1.00 0.00 C ATOM 80 C GLU A 8 111.815 -13.401 12.062 1.00 0.00 C ATOM 81 O GLU A 8 112.291 -14.018 11.130 1.00 0.00 O ATOM 82 CB GLU A 8 109.542 -13.942 12.971 1.00 0.00 C ATOM 83 CG GLU A 8 109.118 -14.597 11.654 1.00 0.00 C ATOM 84 CD GLU A 8 107.612 -14.420 11.455 1.00 0.00 C ATOM 85 OE1 GLU A 8 106.961 -13.967 12.381 1.00 0.00 O ATOM 86 OE2 GLU A 8 107.136 -14.738 10.377 1.00 0.00 O ATOM 0 HA GLU A 8 111.290 -15.177 13.169 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.998 -14.391 13.802 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.286 -12.882 12.959 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.660 -14.148 10.822 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.372 -15.657 11.665 1.00 0.00 H new ATOM 93 N GLN A 9 111.956 -12.108 12.164 1.00 0.00 N ATOM 94 CA GLN A 9 112.711 -11.358 11.124 1.00 0.00 C ATOM 95 C GLN A 9 114.173 -11.813 11.168 1.00 0.00 C ATOM 96 O GLN A 9 114.927 -11.620 10.236 1.00 0.00 O ATOM 97 CB GLN A 9 112.643 -9.852 11.417 1.00 0.00 C ATOM 98 CG GLN A 9 111.283 -9.295 10.992 1.00 0.00 C ATOM 99 CD GLN A 9 110.201 -9.820 11.933 1.00 0.00 C ATOM 100 OE1 GLN A 9 109.939 -9.235 12.965 1.00 0.00 O ATOM 101 NE2 GLN A 9 109.558 -10.909 11.619 1.00 0.00 N ATOM 0 H GLN A 9 111.581 -11.539 12.923 1.00 0.00 H new ATOM 0 HA GLN A 9 112.280 -11.550 10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 9 112.802 -9.673 12.480 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.440 -9.333 10.884 1.00 0.00 H new ATOM 0 HG2 GLN A 9 111.301 -8.205 11.014 1.00 0.00 H new ATOM 0 HG3 GLN A 9 111.062 -9.590 9.966 1.00 0.00 H new ATOM 0 HE21 GLN A 9 109.779 -11.400 10.752 1.00 0.00 H new ATOM 0 HE22 GLN A 9 108.834 -11.271 12.240 1.00 0.00 H new ATOM 110 N PHE A 10 114.577 -12.391 12.268 1.00 0.00 N ATOM 111 CA PHE A 10 115.995 -12.836 12.414 1.00 0.00 C ATOM 112 C PHE A 10 116.295 -13.987 11.440 1.00 0.00 C ATOM 113 O PHE A 10 117.164 -13.886 10.601 1.00 0.00 O ATOM 114 CB PHE A 10 116.192 -13.323 13.863 1.00 0.00 C ATOM 115 CG PHE A 10 117.617 -13.087 14.340 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.705 -13.581 13.607 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.844 -12.369 15.525 1.00 0.00 C ATOM 118 CE1 PHE A 10 120.013 -13.358 14.057 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.151 -12.148 15.972 1.00 0.00 C ATOM 120 CZ PHE A 10 120.235 -12.641 15.238 1.00 0.00 C ATOM 0 H PHE A 10 113.983 -12.575 13.076 1.00 0.00 H new ATOM 0 HA PHE A 10 116.670 -12.010 12.189 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.496 -12.803 14.521 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.957 -14.385 13.926 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.535 -14.134 12.695 1.00 0.00 H new ATOM 0 HD2 PHE A 10 117.008 -11.987 16.092 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.850 -13.740 13.492 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.323 -11.596 16.884 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.244 -12.468 15.583 1.00 0.00 H new ATOM 130 N LYS A 11 115.599 -15.084 11.547 1.00 0.00 N ATOM 131 CA LYS A 11 115.889 -16.218 10.621 1.00 0.00 C ATOM 132 C LYS A 11 115.675 -15.779 9.175 1.00 0.00 C ATOM 133 O LYS A 11 116.336 -16.252 8.274 1.00 0.00 O ATOM 134 CB LYS A 11 115.012 -17.431 10.961 1.00 0.00 C ATOM 135 CG LYS A 11 113.544 -17.162 10.623 1.00 0.00 C ATOM 136 CD LYS A 11 112.713 -18.379 11.043 1.00 0.00 C ATOM 137 CE LYS A 11 111.254 -18.174 10.645 1.00 0.00 C ATOM 138 NZ LYS A 11 110.456 -19.366 11.055 1.00 0.00 N ATOM 0 H LYS A 11 114.853 -15.246 12.224 1.00 0.00 H new ATOM 0 HA LYS A 11 116.931 -16.514 10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 11 115.362 -18.303 10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 11 115.107 -17.667 12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.194 -16.269 11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.430 -16.977 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 11 113.105 -19.279 10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.788 -18.527 12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 11 110.858 -17.277 11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.177 -18.024 9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 109.461 -19.228 10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 110.829 -20.213 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.520 -19.489 12.086 1.00 0.00 H new ATOM 152 N GLN A 12 114.767 -14.879 8.937 1.00 0.00 N ATOM 153 CA GLN A 12 114.546 -14.430 7.538 1.00 0.00 C ATOM 154 C GLN A 12 115.844 -13.826 6.990 1.00 0.00 C ATOM 155 O GLN A 12 116.202 -14.045 5.856 1.00 0.00 O ATOM 156 CB GLN A 12 113.420 -13.396 7.495 1.00 0.00 C ATOM 157 CG GLN A 12 112.089 -14.092 7.794 1.00 0.00 C ATOM 158 CD GLN A 12 110.949 -13.072 7.755 1.00 0.00 C ATOM 159 OE1 GLN A 12 109.799 -13.434 7.605 1.00 0.00 O ATOM 160 NE2 GLN A 12 111.219 -11.803 7.892 1.00 0.00 N ATOM 0 H GLN A 12 114.174 -14.439 9.641 1.00 0.00 H new ATOM 0 HA GLN A 12 114.259 -15.282 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.605 -12.608 8.225 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.384 -12.920 6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.909 -14.881 7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 12 112.129 -14.568 8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 12 112.184 -11.498 8.018 1.00 0.00 H new ATOM 0 HE22 GLN A 12 110.465 -11.116 7.873 1.00 0.00 H new ATOM 169 N VAL A 13 116.567 -13.074 7.780 1.00 0.00 N ATOM 170 CA VAL A 13 117.836 -12.490 7.257 1.00 0.00 C ATOM 171 C VAL A 13 118.781 -13.631 6.872 1.00 0.00 C ATOM 172 O VAL A 13 119.533 -13.530 5.925 1.00 0.00 O ATOM 173 CB VAL A 13 118.481 -11.552 8.316 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.476 -12.312 9.209 1.00 0.00 C ATOM 175 CG2 VAL A 13 119.223 -10.406 7.612 1.00 0.00 C ATOM 0 H VAL A 13 116.339 -12.843 8.747 1.00 0.00 H new ATOM 0 HA VAL A 13 117.631 -11.886 6.373 1.00 0.00 H new ATOM 0 HB VAL A 13 117.680 -11.158 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 13 119.908 -11.626 9.938 1.00 0.00 H new ATOM 0 HG12 VAL A 13 118.956 -13.116 9.731 1.00 0.00 H new ATOM 0 HG13 VAL A 13 120.270 -12.734 8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 13 119.673 -9.751 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 13 120.003 -10.817 6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 13 118.520 -9.835 7.006 1.00 0.00 H new ATOM 185 N ARG A 14 118.753 -14.719 7.591 1.00 0.00 N ATOM 186 CA ARG A 14 119.658 -15.844 7.231 1.00 0.00 C ATOM 187 C ARG A 14 119.364 -16.288 5.797 1.00 0.00 C ATOM 188 O ARG A 14 120.269 -16.591 5.045 1.00 0.00 O ATOM 189 CB ARG A 14 119.445 -17.013 8.210 1.00 0.00 C ATOM 190 CG ARG A 14 120.349 -18.221 7.875 1.00 0.00 C ATOM 191 CD ARG A 14 121.826 -17.924 8.175 1.00 0.00 C ATOM 192 NE ARG A 14 122.642 -19.127 7.837 1.00 0.00 N ATOM 193 CZ ARG A 14 122.807 -20.079 8.715 1.00 0.00 C ATOM 194 NH1 ARG A 14 123.346 -19.812 9.873 1.00 0.00 N ATOM 195 NH2 ARG A 14 122.433 -21.298 8.436 1.00 0.00 N ATOM 0 H ARG A 14 118.152 -14.876 8.400 1.00 0.00 H new ATOM 0 HA ARG A 14 120.696 -15.519 7.297 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.651 -16.677 9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.400 -17.323 8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 14 120.027 -19.088 8.452 1.00 0.00 H new ATOM 0 HG3 ARG A 14 120.236 -18.479 6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 14 122.163 -17.065 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 14 121.952 -17.667 9.227 1.00 0.00 H new ATOM 0 HE ARG A 14 123.073 -19.206 6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 14 123.638 -18.860 10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 14 123.475 -20.556 10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 14 122.011 -21.508 7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 14 122.562 -22.041 9.123 1.00 0.00 H new ATOM 209 N GLN A 15 118.119 -16.337 5.398 1.00 0.00 N ATOM 210 CA GLN A 15 117.834 -16.772 4.007 1.00 0.00 C ATOM 211 C GLN A 15 118.510 -15.799 3.023 1.00 0.00 C ATOM 212 O GLN A 15 118.955 -16.198 1.966 1.00 0.00 O ATOM 213 CB GLN A 15 116.312 -16.871 3.765 1.00 0.00 C ATOM 214 CG GLN A 15 115.744 -15.550 3.232 1.00 0.00 C ATOM 215 CD GLN A 15 115.966 -15.463 1.716 1.00 0.00 C ATOM 216 OE1 GLN A 15 116.326 -14.422 1.202 1.00 0.00 O ATOM 217 NE2 GLN A 15 115.761 -16.517 0.974 1.00 0.00 N ATOM 0 H GLN A 15 117.305 -16.099 5.965 1.00 0.00 H new ATOM 0 HA GLN A 15 118.245 -17.768 3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.106 -17.671 3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.810 -17.135 4.696 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.680 -15.484 3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.228 -14.709 3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 15 115.459 -17.392 1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 15 115.903 -16.466 -0.035 1.00 0.00 H new ATOM 226 N LEU A 16 118.605 -14.525 3.357 1.00 0.00 N ATOM 227 CA LEU A 16 119.272 -13.576 2.406 1.00 0.00 C ATOM 228 C LEU A 16 120.721 -14.037 2.214 1.00 0.00 C ATOM 229 O LEU A 16 121.226 -14.089 1.111 1.00 0.00 O ATOM 230 CB LEU A 16 119.264 -12.141 2.976 1.00 0.00 C ATOM 231 CG LEU A 16 117.946 -11.419 2.630 1.00 0.00 C ATOM 232 CD1 LEU A 16 116.757 -12.036 3.402 1.00 0.00 C ATOM 233 CD2 LEU A 16 118.090 -9.931 2.987 1.00 0.00 C ATOM 0 H LEU A 16 118.259 -14.114 4.224 1.00 0.00 H new ATOM 0 HA LEU A 16 118.736 -13.572 1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.392 -12.174 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 16 120.107 -11.580 2.573 1.00 0.00 H new ATOM 0 HG LEU A 16 117.746 -11.531 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 16 115.840 -11.508 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 16 116.658 -13.089 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 16 116.933 -11.946 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 16 117.164 -9.408 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 16 118.298 -9.831 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 16 118.910 -9.497 2.415 1.00 0.00 H new ATOM 245 N TYR A 17 121.381 -14.388 3.282 1.00 0.00 N ATOM 246 CA TYR A 17 122.788 -14.868 3.173 1.00 0.00 C ATOM 247 C TYR A 17 122.822 -16.175 2.368 1.00 0.00 C ATOM 248 O TYR A 17 123.737 -16.423 1.608 1.00 0.00 O ATOM 249 CB TYR A 17 123.361 -15.119 4.580 1.00 0.00 C ATOM 250 CG TYR A 17 123.848 -13.823 5.193 1.00 0.00 C ATOM 251 CD1 TYR A 17 125.126 -13.343 4.876 1.00 0.00 C ATOM 252 CD2 TYR A 17 123.035 -13.110 6.082 1.00 0.00 C ATOM 253 CE1 TYR A 17 125.589 -12.152 5.446 1.00 0.00 C ATOM 254 CE2 TYR A 17 123.499 -11.918 6.653 1.00 0.00 C ATOM 255 CZ TYR A 17 124.777 -11.440 6.334 1.00 0.00 C ATOM 256 OH TYR A 17 125.237 -10.267 6.897 1.00 0.00 O ATOM 0 H TYR A 17 121.005 -14.363 4.230 1.00 0.00 H new ATOM 0 HA TYR A 17 123.389 -14.112 2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.596 -15.564 5.216 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.183 -15.832 4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 17 125.754 -13.893 4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 17 122.050 -13.479 6.328 1.00 0.00 H new ATOM 0 HE1 TYR A 17 126.574 -11.783 5.200 1.00 0.00 H new ATOM 0 HE2 TYR A 17 122.872 -11.368 7.339 1.00 0.00 H new ATOM 0 HH TYR A 17 124.550 -9.897 7.490 1.00 0.00 H new ATOM 266 N GLU A 18 121.851 -17.026 2.561 1.00 0.00 N ATOM 267 CA GLU A 18 121.844 -18.338 1.842 1.00 0.00 C ATOM 268 C GLU A 18 121.452 -18.172 0.365 1.00 0.00 C ATOM 269 O GLU A 18 121.432 -19.132 -0.378 1.00 0.00 O ATOM 270 CB GLU A 18 120.857 -19.284 2.526 1.00 0.00 C ATOM 271 CG GLU A 18 121.383 -19.641 3.918 1.00 0.00 C ATOM 272 CD GLU A 18 120.341 -20.475 4.666 1.00 0.00 C ATOM 273 OE1 GLU A 18 119.344 -20.827 4.057 1.00 0.00 O ATOM 274 OE2 GLU A 18 120.556 -20.743 5.837 1.00 0.00 O ATOM 0 H GLU A 18 121.060 -16.871 3.186 1.00 0.00 H new ATOM 0 HA GLU A 18 122.852 -18.750 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.878 -18.812 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.729 -20.188 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 18 122.316 -20.199 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 18 121.605 -18.732 4.477 1.00 0.00 H new ATOM 281 N ILE A 19 121.146 -16.982 -0.079 1.00 0.00 N ATOM 282 CA ILE A 19 120.771 -16.818 -1.517 1.00 0.00 C ATOM 283 C ILE A 19 121.892 -17.390 -2.391 1.00 0.00 C ATOM 284 O ILE A 19 121.643 -18.006 -3.409 1.00 0.00 O ATOM 285 CB ILE A 19 120.546 -15.336 -1.844 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.265 -14.859 -1.152 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.401 -15.154 -3.359 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.197 -13.329 -1.183 1.00 0.00 C ATOM 0 H ILE A 19 121.139 -16.128 0.479 1.00 0.00 H new ATOM 0 HA ILE A 19 119.843 -17.354 -1.715 1.00 0.00 H new ATOM 0 HB ILE A 19 121.398 -14.754 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.393 -15.281 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.245 -15.212 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.241 -14.100 -3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.308 -15.498 -3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.550 -15.734 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.284 -12.995 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 19 120.062 -12.916 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.197 -12.986 -2.218 1.00 0.00 H new ATOM 300 N ASN A 20 123.125 -17.198 -2.004 1.00 0.00 N ATOM 301 CA ASN A 20 124.250 -17.740 -2.815 1.00 0.00 C ATOM 302 C ASN A 20 125.555 -17.601 -2.033 1.00 0.00 C ATOM 303 O ASN A 20 125.598 -17.004 -0.976 1.00 0.00 O ATOM 304 CB ASN A 20 124.365 -16.961 -4.125 1.00 0.00 C ATOM 305 CG ASN A 20 125.347 -17.674 -5.057 1.00 0.00 C ATOM 306 OD1 ASN A 20 126.478 -17.253 -5.204 1.00 0.00 O ATOM 307 ND2 ASN A 20 124.961 -18.742 -5.700 1.00 0.00 N ATOM 0 H ASN A 20 123.400 -16.690 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 20 124.060 -18.791 -3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 20 123.387 -16.882 -4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.707 -15.945 -3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 20 125.608 -19.223 -6.325 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.012 -19.096 -5.577 1.00 0.00 H new ATOM 314 N ASP A 21 126.619 -18.150 -2.548 1.00 0.00 N ATOM 315 CA ASP A 21 127.934 -18.058 -1.847 1.00 0.00 C ATOM 316 C ASP A 21 128.677 -16.821 -2.349 1.00 0.00 C ATOM 317 O ASP A 21 129.857 -16.656 -2.118 1.00 0.00 O ATOM 318 CB ASP A 21 128.765 -19.307 -2.153 1.00 0.00 C ATOM 319 CG ASP A 21 130.016 -19.323 -1.272 1.00 0.00 C ATOM 320 OD1 ASP A 21 130.212 -18.368 -0.537 1.00 0.00 O ATOM 321 OD2 ASP A 21 130.753 -20.291 -1.342 1.00 0.00 O ATOM 0 H ASP A 21 126.636 -18.662 -3.430 1.00 0.00 H new ATOM 0 HA ASP A 21 127.774 -17.985 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 21 128.171 -20.203 -1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 21 129.049 -19.318 -3.205 1.00 0.00 H new ATOM 326 N ASP A 22 127.992 -15.950 -3.043 1.00 0.00 N ATOM 327 CA ASP A 22 128.660 -14.726 -3.568 1.00 0.00 C ATOM 328 C ASP A 22 129.307 -13.955 -2.393 1.00 0.00 C ATOM 329 O ASP A 22 128.598 -13.461 -1.538 1.00 0.00 O ATOM 330 CB ASP A 22 127.604 -13.833 -4.226 1.00 0.00 C ATOM 331 CG ASP A 22 128.294 -12.724 -5.021 1.00 0.00 C ATOM 332 OD1 ASP A 22 129.105 -13.050 -5.873 1.00 0.00 O ATOM 333 OD2 ASP A 22 128.000 -11.568 -4.766 1.00 0.00 O ATOM 0 H ASP A 22 127.001 -16.034 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 22 129.425 -15.002 -4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.971 -14.427 -4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 22 126.955 -13.399 -3.465 1.00 0.00 H new ATOM 338 N PRO A 23 130.626 -13.836 -2.320 1.00 0.00 N ATOM 339 CA PRO A 23 131.247 -13.091 -1.185 1.00 0.00 C ATOM 340 C PRO A 23 130.840 -11.609 -1.176 1.00 0.00 C ATOM 341 O PRO A 23 130.692 -11.004 -0.134 1.00 0.00 O ATOM 342 CB PRO A 23 132.761 -13.255 -1.444 1.00 0.00 C ATOM 343 CG PRO A 23 132.956 -14.085 -2.729 1.00 0.00 C ATOM 344 CD PRO A 23 131.573 -14.416 -3.320 1.00 0.00 C ATOM 0 HA PRO A 23 130.931 -13.470 -0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.234 -12.279 -1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.238 -13.751 -0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.552 -13.527 -3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.501 -15.002 -2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.440 -13.971 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.430 -15.491 -3.433 1.00 0.00 H new ATOM 352 N LYS A 24 130.665 -11.023 -2.328 1.00 0.00 N ATOM 353 CA LYS A 24 130.278 -9.586 -2.376 1.00 0.00 C ATOM 354 C LYS A 24 128.945 -9.401 -1.652 1.00 0.00 C ATOM 355 O LYS A 24 128.803 -8.544 -0.803 1.00 0.00 O ATOM 356 CB LYS A 24 130.134 -9.145 -3.832 1.00 0.00 C ATOM 357 CG LYS A 24 129.884 -7.638 -3.886 1.00 0.00 C ATOM 358 CD LYS A 24 129.741 -7.198 -5.343 1.00 0.00 C ATOM 359 CE LYS A 24 129.491 -5.691 -5.401 1.00 0.00 C ATOM 360 NZ LYS A 24 129.514 -5.241 -6.821 1.00 0.00 N ATOM 0 H LYS A 24 130.773 -11.476 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 24 131.045 -8.983 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 24 131.037 -9.395 -4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.309 -9.678 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 24 128.981 -7.388 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 24 130.708 -7.104 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 24 130.644 -7.449 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 24 128.917 -7.732 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 24 128.529 -5.453 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 24 130.253 -5.162 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 129.344 -4.216 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 130.442 -5.456 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 128.772 -5.737 -7.354 1.00 0.00 H new ATOM 374 N ARG A 25 127.969 -10.204 -1.971 1.00 0.00 N ATOM 375 CA ARG A 25 126.654 -10.076 -1.288 1.00 0.00 C ATOM 376 C ARG A 25 126.850 -10.292 0.213 1.00 0.00 C ATOM 377 O ARG A 25 126.313 -9.569 1.028 1.00 0.00 O ATOM 378 CB ARG A 25 125.688 -11.117 -1.859 1.00 0.00 C ATOM 379 CG ARG A 25 124.324 -11.007 -1.172 1.00 0.00 C ATOM 380 CD ARG A 25 123.375 -12.035 -1.789 1.00 0.00 C ATOM 381 NE ARG A 25 123.234 -11.754 -3.245 1.00 0.00 N ATOM 382 CZ ARG A 25 122.426 -12.472 -3.976 1.00 0.00 C ATOM 383 NH1 ARG A 25 121.166 -12.149 -4.063 1.00 0.00 N ATOM 384 NH2 ARG A 25 122.880 -13.512 -4.620 1.00 0.00 N ATOM 0 H ARG A 25 128.025 -10.941 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 25 126.237 -9.082 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.575 -10.968 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.095 -12.118 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.426 -11.183 -0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.921 -10.002 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 25 123.761 -13.043 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.401 -11.989 -1.301 1.00 0.00 H new ATOM 0 HE ARG A 25 123.770 -10.999 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 25 120.812 -11.335 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 25 120.534 -12.710 -4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 25 123.866 -13.764 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 25 122.249 -14.074 -5.191 1.00 0.00 H new ATOM 398 N LYS A 26 127.633 -11.270 0.588 1.00 0.00 N ATOM 399 CA LYS A 26 127.876 -11.506 2.038 1.00 0.00 C ATOM 400 C LYS A 26 128.509 -10.246 2.630 1.00 0.00 C ATOM 401 O LYS A 26 128.132 -9.778 3.685 1.00 0.00 O ATOM 402 CB LYS A 26 128.842 -12.684 2.217 1.00 0.00 C ATOM 403 CG LYS A 26 129.032 -12.974 3.710 1.00 0.00 C ATOM 404 CD LYS A 26 129.999 -14.154 3.895 1.00 0.00 C ATOM 405 CE LYS A 26 131.435 -13.745 3.517 1.00 0.00 C ATOM 406 NZ LYS A 26 131.642 -13.948 2.055 1.00 0.00 N ATOM 0 H LYS A 26 128.111 -11.911 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 26 126.936 -11.735 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.451 -13.567 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.802 -12.452 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.423 -12.090 4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.071 -13.205 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.973 -14.493 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 26 129.680 -14.993 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 26 131.607 -12.701 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 26 132.154 -14.338 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 132.459 -14.574 1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 130.792 -14.382 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 131.820 -13.030 1.599 1.00 0.00 H new ATOM 420 N GLU A 27 129.479 -9.702 1.945 1.00 0.00 N ATOM 421 CA GLU A 27 130.160 -8.476 2.444 1.00 0.00 C ATOM 422 C GLU A 27 129.148 -7.337 2.576 1.00 0.00 C ATOM 423 O GLU A 27 129.125 -6.631 3.565 1.00 0.00 O ATOM 424 CB GLU A 27 131.259 -8.072 1.455 1.00 0.00 C ATOM 425 CG GLU A 27 132.036 -6.875 2.007 1.00 0.00 C ATOM 426 CD GLU A 27 133.136 -6.480 1.020 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.301 -7.181 0.036 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.798 -5.485 1.268 1.00 0.00 O ATOM 0 H GLU A 27 129.830 -10.058 1.056 1.00 0.00 H new ATOM 0 HA GLU A 27 130.599 -8.678 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.935 -8.910 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 27 130.818 -7.818 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 27 131.361 -6.035 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.473 -7.126 2.973 1.00 0.00 H new ATOM 435 N PHE A 28 128.313 -7.140 1.589 1.00 0.00 N ATOM 436 CA PHE A 28 127.321 -6.037 1.677 1.00 0.00 C ATOM 437 C PHE A 28 126.406 -6.243 2.892 1.00 0.00 C ATOM 438 O PHE A 28 126.212 -5.344 3.688 1.00 0.00 O ATOM 439 CB PHE A 28 126.485 -6.017 0.393 1.00 0.00 C ATOM 440 CG PHE A 28 125.324 -5.073 0.567 1.00 0.00 C ATOM 441 CD1 PHE A 28 125.449 -3.722 0.228 1.00 0.00 C ATOM 442 CD2 PHE A 28 124.123 -5.557 1.092 1.00 0.00 C ATOM 443 CE1 PHE A 28 124.367 -2.854 0.416 1.00 0.00 C ATOM 444 CE2 PHE A 28 123.043 -4.695 1.276 1.00 0.00 C ATOM 445 CZ PHE A 28 123.163 -3.344 0.940 1.00 0.00 C ATOM 0 H PHE A 28 128.278 -7.693 0.733 1.00 0.00 H new ATOM 0 HA PHE A 28 127.843 -5.087 1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.100 -5.703 -0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.122 -7.020 0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 28 126.378 -3.349 -0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 28 124.031 -6.600 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 28 124.460 -1.809 0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 28 122.114 -5.071 1.678 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.327 -2.676 1.084 1.00 0.00 H new ATOM 455 N LEU A 29 125.844 -7.410 3.046 1.00 0.00 N ATOM 456 CA LEU A 29 124.951 -7.644 4.215 1.00 0.00 C ATOM 457 C LEU A 29 125.750 -7.429 5.498 1.00 0.00 C ATOM 458 O LEU A 29 125.317 -6.756 6.412 1.00 0.00 O ATOM 459 CB LEU A 29 124.419 -9.082 4.180 1.00 0.00 C ATOM 460 CG LEU A 29 123.439 -9.262 3.008 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.218 -10.757 2.765 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.082 -8.605 3.324 1.00 0.00 C ATOM 0 H LEU A 29 125.963 -8.205 2.419 1.00 0.00 H new ATOM 0 HA LEU A 29 124.110 -6.951 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.249 -9.781 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.919 -9.315 5.120 1.00 0.00 H new ATOM 0 HG LEU A 29 123.864 -8.788 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.524 -10.892 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.169 -11.231 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.803 -11.214 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.405 -8.745 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.653 -9.065 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.226 -7.539 3.501 1.00 0.00 H new ATOM 474 N ASP A 30 126.919 -7.998 5.569 1.00 0.00 N ATOM 475 CA ASP A 30 127.754 -7.834 6.787 1.00 0.00 C ATOM 476 C ASP A 30 128.054 -6.348 7.006 1.00 0.00 C ATOM 477 O ASP A 30 128.004 -5.853 8.112 1.00 0.00 O ATOM 478 CB ASP A 30 129.064 -8.603 6.604 1.00 0.00 C ATOM 479 CG ASP A 30 129.903 -8.507 7.879 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.672 -7.592 8.653 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.763 -9.353 8.062 1.00 0.00 O ATOM 0 H ASP A 30 127.333 -8.571 4.833 1.00 0.00 H new ATOM 0 HA ASP A 30 127.220 -8.223 7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.854 -9.647 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.621 -8.196 5.760 1.00 0.00 H new ATOM 486 N ASP A 31 128.380 -5.634 5.960 1.00 0.00 N ATOM 487 CA ASP A 31 128.699 -4.184 6.116 1.00 0.00 C ATOM 488 C ASP A 31 127.428 -3.370 6.401 1.00 0.00 C ATOM 489 O ASP A 31 127.382 -2.588 7.328 1.00 0.00 O ATOM 490 CB ASP A 31 129.356 -3.667 4.835 1.00 0.00 C ATOM 491 CG ASP A 31 129.863 -2.241 5.061 1.00 0.00 C ATOM 492 OD1 ASP A 31 129.466 -1.642 6.047 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.639 -1.773 4.245 1.00 0.00 O ATOM 0 H ASP A 31 128.439 -5.992 5.007 1.00 0.00 H new ATOM 0 HA ASP A 31 129.381 -4.069 6.959 1.00 0.00 H new ATOM 0 HB2 ASP A 31 130.183 -4.317 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 31 128.639 -3.684 4.014 1.00 0.00 H new ATOM 498 N LEU A 32 126.400 -3.528 5.610 1.00 0.00 N ATOM 499 CA LEU A 32 125.156 -2.737 5.857 1.00 0.00 C ATOM 500 C LEU A 32 124.600 -3.048 7.246 1.00 0.00 C ATOM 501 O LEU A 32 124.440 -2.166 8.061 1.00 0.00 O ATOM 502 CB LEU A 32 124.111 -3.062 4.767 1.00 0.00 C ATOM 503 CG LEU A 32 122.701 -2.609 5.192 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.700 -1.122 5.555 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.735 -2.832 4.032 1.00 0.00 C ATOM 0 H LEU A 32 126.366 -4.162 4.812 1.00 0.00 H new ATOM 0 HA LEU A 32 125.391 -1.673 5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.389 -2.569 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 32 124.107 -4.134 4.571 1.00 0.00 H new ATOM 0 HG LEU A 32 122.394 -3.188 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.696 -0.821 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.390 -0.949 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.013 -0.536 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.735 -2.514 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.062 -2.252 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.717 -3.890 3.772 1.00 0.00 H new ATOM 517 N PHE A 33 124.294 -4.279 7.527 1.00 0.00 N ATOM 518 CA PHE A 33 123.723 -4.596 8.865 1.00 0.00 C ATOM 519 C PHE A 33 124.696 -4.145 9.956 1.00 0.00 C ATOM 520 O PHE A 33 124.291 -3.620 10.969 1.00 0.00 O ATOM 521 CB PHE A 33 123.462 -6.106 8.981 1.00 0.00 C ATOM 522 CG PHE A 33 122.171 -6.458 8.267 1.00 0.00 C ATOM 523 CD1 PHE A 33 122.144 -6.484 6.868 1.00 0.00 C ATOM 524 CD2 PHE A 33 121.008 -6.762 8.996 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.965 -6.813 6.194 1.00 0.00 C ATOM 526 CE2 PHE A 33 119.827 -7.091 8.315 1.00 0.00 C ATOM 527 CZ PHE A 33 119.807 -7.117 6.915 1.00 0.00 C ATOM 0 H PHE A 33 124.412 -5.073 6.898 1.00 0.00 H new ATOM 0 HA PHE A 33 122.778 -4.068 8.987 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.292 -6.663 8.547 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.399 -6.394 10.030 1.00 0.00 H new ATOM 0 HD1 PHE A 33 123.037 -6.249 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 33 121.024 -6.742 10.076 1.00 0.00 H new ATOM 0 HE1 PHE A 33 120.949 -6.832 5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 33 118.931 -7.325 8.871 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.897 -7.372 6.393 1.00 0.00 H new ATOM 537 N SER A 34 125.973 -4.331 9.771 1.00 0.00 N ATOM 538 CA SER A 34 126.921 -3.900 10.834 1.00 0.00 C ATOM 539 C SER A 34 126.714 -2.410 11.139 1.00 0.00 C ATOM 540 O SER A 34 126.681 -2.008 12.284 1.00 0.00 O ATOM 541 CB SER A 34 128.363 -4.131 10.378 1.00 0.00 C ATOM 542 OG SER A 34 128.575 -3.490 9.129 1.00 0.00 O ATOM 0 H SER A 34 126.395 -4.755 8.945 1.00 0.00 H new ATOM 0 HA SER A 34 126.732 -4.486 11.733 1.00 0.00 H new ATOM 0 HB2 SER A 34 129.057 -3.740 11.122 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.560 -5.199 10.288 1.00 0.00 H new ATOM 0 HG SER A 34 127.711 -3.305 8.705 1.00 0.00 H new ATOM 548 N PHE A 35 126.577 -1.585 10.134 1.00 0.00 N ATOM 549 CA PHE A 35 126.377 -0.129 10.400 1.00 0.00 C ATOM 550 C PHE A 35 125.080 0.102 11.196 1.00 0.00 C ATOM 551 O PHE A 35 125.104 0.638 12.286 1.00 0.00 O ATOM 552 CB PHE A 35 126.308 0.628 9.070 1.00 0.00 C ATOM 553 CG PHE A 35 126.194 2.112 9.334 1.00 0.00 C ATOM 554 CD1 PHE A 35 127.351 2.892 9.447 1.00 0.00 C ATOM 555 CD2 PHE A 35 124.933 2.710 9.460 1.00 0.00 C ATOM 556 CE1 PHE A 35 127.249 4.268 9.686 1.00 0.00 C ATOM 557 CE2 PHE A 35 124.831 4.086 9.699 1.00 0.00 C ATOM 558 CZ PHE A 35 125.990 4.865 9.812 1.00 0.00 C ATOM 0 H PHE A 35 126.595 -1.852 9.150 1.00 0.00 H new ATOM 0 HA PHE A 35 127.217 0.239 10.989 1.00 0.00 H new ATOM 0 HB2 PHE A 35 127.199 0.422 8.476 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.452 0.285 8.489 1.00 0.00 H new ATOM 0 HD1 PHE A 35 128.323 2.432 9.350 1.00 0.00 H new ATOM 0 HD2 PHE A 35 124.040 2.110 9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 35 128.142 4.869 9.773 1.00 0.00 H new ATOM 0 HE2 PHE A 35 123.859 4.547 9.796 1.00 0.00 H new ATOM 0 HZ PHE A 35 125.912 5.926 9.996 1.00 0.00 H new ATOM 568 N MET A 36 123.948 -0.288 10.660 1.00 0.00 N ATOM 569 CA MET A 36 122.657 -0.073 11.396 1.00 0.00 C ATOM 570 C MET A 36 122.552 -0.996 12.623 1.00 0.00 C ATOM 571 O MET A 36 121.797 -0.732 13.539 1.00 0.00 O ATOM 572 CB MET A 36 121.473 -0.329 10.465 1.00 0.00 C ATOM 573 CG MET A 36 121.636 -1.685 9.785 1.00 0.00 C ATOM 574 SD MET A 36 120.136 -2.081 8.852 1.00 0.00 S ATOM 575 CE MET A 36 119.061 -2.511 10.250 1.00 0.00 C ATOM 0 H MET A 36 123.860 -0.743 9.751 1.00 0.00 H new ATOM 0 HA MET A 36 122.638 0.961 11.739 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.542 -0.305 11.031 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.411 0.459 9.715 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.497 -1.667 9.117 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.827 -2.457 10.531 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.707 -3.536 10.135 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.622 -2.423 11.181 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.208 -1.833 10.275 1.00 0.00 H new ATOM 585 N GLN A 37 123.284 -2.076 12.646 1.00 0.00 N ATOM 586 CA GLN A 37 123.206 -3.016 13.812 1.00 0.00 C ATOM 587 C GLN A 37 123.366 -2.246 15.125 1.00 0.00 C ATOM 588 O GLN A 37 123.214 -2.807 16.192 1.00 0.00 O ATOM 589 CB GLN A 37 124.300 -4.099 13.699 1.00 0.00 C ATOM 590 CG GLN A 37 123.758 -5.345 12.963 1.00 0.00 C ATOM 591 CD GLN A 37 123.090 -6.294 13.965 1.00 0.00 C ATOM 592 OE1 GLN A 37 123.720 -6.751 14.898 1.00 0.00 O ATOM 593 NE2 GLN A 37 121.833 -6.607 13.812 1.00 0.00 N ATOM 0 H GLN A 37 123.934 -2.352 11.910 1.00 0.00 H new ATOM 0 HA GLN A 37 122.229 -3.499 13.804 1.00 0.00 H new ATOM 0 HB2 GLN A 37 125.161 -3.699 13.163 1.00 0.00 H new ATOM 0 HB3 GLN A 37 124.646 -4.379 14.694 1.00 0.00 H new ATOM 0 HG2 GLN A 37 123.040 -5.044 12.200 1.00 0.00 H new ATOM 0 HG3 GLN A 37 124.572 -5.858 12.450 1.00 0.00 H new ATOM 0 HE21 GLN A 37 121.304 -6.224 13.029 1.00 0.00 H new ATOM 0 HE22 GLN A 37 121.379 -7.235 14.475 1.00 0.00 H new ATOM 602 N LYS A 38 123.685 -0.979 15.066 1.00 0.00 N ATOM 603 CA LYS A 38 123.863 -0.199 16.329 1.00 0.00 C ATOM 604 C LYS A 38 122.709 -0.525 17.286 1.00 0.00 C ATOM 605 O LYS A 38 122.912 -0.728 18.467 1.00 0.00 O ATOM 606 CB LYS A 38 123.841 1.293 16.004 1.00 0.00 C ATOM 607 CG LYS A 38 124.262 2.096 17.235 1.00 0.00 C ATOM 608 CD LYS A 38 124.469 3.561 16.841 1.00 0.00 C ATOM 609 CE LYS A 38 123.150 4.151 16.327 1.00 0.00 C ATOM 610 NZ LYS A 38 123.198 5.636 16.423 1.00 0.00 N ATOM 0 H LYS A 38 123.829 -0.453 14.204 1.00 0.00 H new ATOM 0 HA LYS A 38 124.813 -0.460 16.795 1.00 0.00 H new ATOM 0 HB2 LYS A 38 124.514 1.504 15.173 1.00 0.00 H new ATOM 0 HB3 LYS A 38 122.841 1.591 15.688 1.00 0.00 H new ATOM 0 HG2 LYS A 38 123.499 2.021 18.010 1.00 0.00 H new ATOM 0 HG3 LYS A 38 125.182 1.687 17.652 1.00 0.00 H new ATOM 0 HD2 LYS A 38 124.823 4.132 17.699 1.00 0.00 H new ATOM 0 HD3 LYS A 38 125.236 3.635 16.070 1.00 0.00 H new ATOM 0 HE2 LYS A 38 122.983 3.848 15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 38 122.315 3.765 16.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 122.303 6.036 16.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 123.339 5.915 17.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 123.986 5.996 15.847 1.00 0.00 H new ATOM 624 N ARG A 39 121.508 -0.620 16.781 1.00 0.00 N ATOM 625 CA ARG A 39 120.368 -0.983 17.667 1.00 0.00 C ATOM 626 C ARG A 39 120.557 -2.436 18.105 1.00 0.00 C ATOM 627 O ARG A 39 120.330 -2.788 19.246 1.00 0.00 O ATOM 628 CB ARG A 39 119.040 -0.837 16.917 1.00 0.00 C ATOM 629 CG ARG A 39 118.749 0.646 16.674 1.00 0.00 C ATOM 630 CD ARG A 39 117.367 0.795 16.033 1.00 0.00 C ATOM 631 NE ARG A 39 116.319 0.444 17.033 1.00 0.00 N ATOM 632 CZ ARG A 39 115.058 0.649 16.762 1.00 0.00 C ATOM 633 NH1 ARG A 39 114.563 1.855 16.831 1.00 0.00 N ATOM 634 NH2 ARG A 39 114.291 -0.353 16.427 1.00 0.00 N ATOM 0 H ARG A 39 121.270 -0.463 15.802 1.00 0.00 H new ATOM 0 HA ARG A 39 120.344 -0.321 18.532 1.00 0.00 H new ATOM 0 HB2 ARG A 39 119.087 -1.369 15.967 1.00 0.00 H new ATOM 0 HB3 ARG A 39 118.233 -1.287 17.495 1.00 0.00 H new ATOM 0 HG2 ARG A 39 118.786 1.194 17.615 1.00 0.00 H new ATOM 0 HG3 ARG A 39 119.512 1.076 16.024 1.00 0.00 H new ATOM 0 HD2 ARG A 39 117.224 1.817 15.683 1.00 0.00 H new ATOM 0 HD3 ARG A 39 117.286 0.146 15.161 1.00 0.00 H new ATOM 0 HE ARG A 39 116.587 0.043 17.931 1.00 0.00 H new ATOM 0 HH11 ARG A 39 115.161 2.637 17.097 1.00 0.00 H new ATOM 0 HH12 ARG A 39 113.578 2.015 16.619 1.00 0.00 H new ATOM 0 HH21 ARG A 39 114.677 -1.296 16.377 1.00 0.00 H new ATOM 0 HH22 ARG A 39 113.306 -0.193 16.215 1.00 0.00 H new ATOM 648 N GLY A 40 120.997 -3.279 17.197 1.00 0.00 N ATOM 649 CA GLY A 40 121.240 -4.720 17.531 1.00 0.00 C ATOM 650 C GLY A 40 120.216 -5.625 16.833 1.00 0.00 C ATOM 651 O GLY A 40 120.357 -6.832 16.841 1.00 0.00 O ATOM 0 H GLY A 40 121.200 -3.026 16.230 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.248 -5.003 17.227 1.00 0.00 H new ATOM 0 HA3 GLY A 40 121.181 -4.862 18.610 1.00 0.00 H new ATOM 655 N THR A 41 119.186 -5.064 16.237 1.00 0.00 N ATOM 656 CA THR A 41 118.148 -5.907 15.544 1.00 0.00 C ATOM 657 C THR A 41 118.218 -5.686 14.016 1.00 0.00 C ATOM 658 O THR A 41 118.639 -4.640 13.565 1.00 0.00 O ATOM 659 CB THR A 41 116.756 -5.508 16.072 1.00 0.00 C ATOM 660 OG1 THR A 41 116.750 -4.120 16.374 1.00 0.00 O ATOM 661 CG2 THR A 41 116.425 -6.302 17.341 1.00 0.00 C ATOM 0 H THR A 41 119.018 -4.059 16.200 1.00 0.00 H new ATOM 0 HA THR A 41 118.333 -6.962 15.748 1.00 0.00 H new ATOM 0 HB THR A 41 116.009 -5.727 15.309 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.866 -3.862 16.709 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.439 -6.012 17.705 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.429 -7.368 17.114 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.171 -6.091 18.107 1.00 0.00 H new ATOM 669 N PRO A 42 117.804 -6.661 13.219 1.00 0.00 N ATOM 670 CA PRO A 42 117.839 -6.513 11.731 1.00 0.00 C ATOM 671 C PRO A 42 117.077 -5.268 11.239 1.00 0.00 C ATOM 672 O PRO A 42 116.830 -4.340 11.982 1.00 0.00 O ATOM 673 CB PRO A 42 117.155 -7.812 11.241 1.00 0.00 C ATOM 674 CG PRO A 42 116.740 -8.648 12.468 1.00 0.00 C ATOM 675 CD PRO A 42 117.286 -7.966 13.733 1.00 0.00 C ATOM 0 HA PRO A 42 118.852 -6.376 11.352 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.282 -7.573 10.634 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.836 -8.382 10.609 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.654 -8.729 12.521 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.132 -9.662 12.385 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.507 -7.823 14.482 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.074 -8.556 14.201 1.00 0.00 H new ATOM 683 N ILE A 43 116.702 -5.260 9.985 1.00 0.00 N ATOM 684 CA ILE A 43 115.951 -4.099 9.421 1.00 0.00 C ATOM 685 C ILE A 43 114.540 -4.080 10.029 1.00 0.00 C ATOM 686 O ILE A 43 114.335 -4.543 11.134 1.00 0.00 O ATOM 687 CB ILE A 43 115.914 -4.238 7.878 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.726 -2.844 7.218 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.783 -5.196 7.437 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.086 -2.175 6.978 1.00 0.00 C ATOM 0 H ILE A 43 116.886 -6.014 9.323 1.00 0.00 H new ATOM 0 HA ILE A 43 116.436 -3.154 9.667 1.00 0.00 H new ATOM 0 HB ILE A 43 116.864 -4.659 7.550 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.195 -2.952 6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.111 -2.212 7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.778 -5.277 6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.950 -6.181 7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.823 -4.806 7.776 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.935 -1.200 6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.603 -2.049 7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.688 -2.800 6.318 1.00 0.00 H new ATOM 702 N ASN A 44 113.564 -3.558 9.336 1.00 0.00 N ATOM 703 CA ASN A 44 112.187 -3.530 9.911 1.00 0.00 C ATOM 704 C ASN A 44 111.517 -4.884 9.678 1.00 0.00 C ATOM 705 O ASN A 44 111.049 -5.523 10.600 1.00 0.00 O ATOM 706 CB ASN A 44 111.364 -2.443 9.216 1.00 0.00 C ATOM 707 CG ASN A 44 111.861 -1.063 9.649 1.00 0.00 C ATOM 708 OD1 ASN A 44 112.045 -0.810 10.822 1.00 0.00 O ATOM 709 ND2 ASN A 44 112.087 -0.155 8.741 1.00 0.00 N ATOM 0 H ASN A 44 113.658 -3.153 8.405 1.00 0.00 H new ATOM 0 HA ASN A 44 112.245 -3.321 10.979 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.447 -2.547 8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 44 110.309 -2.556 9.467 1.00 0.00 H new ATOM 0 HD21 ASN A 44 112.419 0.770 9.016 1.00 0.00 H new ATOM 0 HD22 ASN A 44 111.932 -0.369 7.756 1.00 0.00 H new ATOM 716 N ARG A 45 111.481 -5.335 8.455 1.00 0.00 N ATOM 717 CA ARG A 45 110.859 -6.657 8.171 1.00 0.00 C ATOM 718 C ARG A 45 111.141 -7.054 6.722 1.00 0.00 C ATOM 719 O ARG A 45 111.243 -6.216 5.846 1.00 0.00 O ATOM 720 CB ARG A 45 109.345 -6.574 8.394 1.00 0.00 C ATOM 721 CG ARG A 45 108.742 -5.535 7.448 1.00 0.00 C ATOM 722 CD ARG A 45 107.286 -5.274 7.838 1.00 0.00 C ATOM 723 NE ARG A 45 106.635 -4.432 6.795 1.00 0.00 N ATOM 724 CZ ARG A 45 105.345 -4.238 6.823 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.537 -5.242 7.029 1.00 0.00 N ATOM 726 NH2 ARG A 45 104.862 -3.038 6.644 1.00 0.00 N ATOM 0 H ARG A 45 111.855 -4.846 7.642 1.00 0.00 H new ATOM 0 HA ARG A 45 111.282 -7.405 8.841 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.888 -7.548 8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 45 109.134 -6.304 9.429 1.00 0.00 H new ATOM 0 HG2 ARG A 45 109.314 -4.608 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.796 -5.890 6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.752 -6.218 7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 45 107.242 -4.773 8.805 1.00 0.00 H new ATOM 0 HE ARG A 45 107.198 -4.007 6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.914 -6.180 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.529 -5.089 7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 45 105.493 -2.253 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 45 103.854 -2.886 6.666 1.00 0.00 H new ATOM 740 N LEU A 46 111.257 -8.332 6.463 1.00 0.00 N ATOM 741 CA LEU A 46 111.519 -8.815 5.071 1.00 0.00 C ATOM 742 C LEU A 46 110.241 -9.510 4.555 1.00 0.00 C ATOM 743 O LEU A 46 109.936 -10.602 4.989 1.00 0.00 O ATOM 744 CB LEU A 46 112.653 -9.854 5.098 1.00 0.00 C ATOM 745 CG LEU A 46 113.978 -9.237 5.601 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.362 -8.016 4.747 1.00 0.00 C ATOM 747 CD2 LEU A 46 113.864 -8.828 7.086 1.00 0.00 C ATOM 0 H LEU A 46 111.181 -9.070 7.163 1.00 0.00 H new ATOM 0 HA LEU A 46 111.796 -7.977 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.370 -10.686 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 46 112.798 -10.262 4.098 1.00 0.00 H new ATOM 0 HG LEU A 46 114.759 -9.992 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.297 -7.594 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.486 -8.323 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 46 113.575 -7.265 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 46 114.808 -8.396 7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 46 113.068 -8.092 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.635 -9.707 7.689 1.00 0.00 H new ATOM 759 N PRO A 47 109.480 -8.913 3.649 1.00 0.00 N ATOM 760 CA PRO A 47 108.244 -9.587 3.160 1.00 0.00 C ATOM 761 C PRO A 47 108.563 -10.884 2.406 1.00 0.00 C ATOM 762 O PRO A 47 109.405 -10.913 1.530 1.00 0.00 O ATOM 763 CB PRO A 47 107.613 -8.527 2.231 1.00 0.00 C ATOM 764 CG PRO A 47 108.517 -7.277 2.223 1.00 0.00 C ATOM 765 CD PRO A 47 109.776 -7.574 3.060 1.00 0.00 C ATOM 0 HA PRO A 47 107.580 -9.896 3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.508 -8.924 1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.613 -8.268 2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 47 108.795 -7.018 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.982 -6.421 2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 47 110.675 -7.594 2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.935 -6.820 3.831 1.00 0.00 H new ATOM 773 N ILE A 48 107.893 -11.955 2.737 1.00 0.00 N ATOM 774 CA ILE A 48 108.151 -13.244 2.039 1.00 0.00 C ATOM 775 C ILE A 48 107.129 -13.399 0.915 1.00 0.00 C ATOM 776 O ILE A 48 105.949 -13.558 1.154 1.00 0.00 O ATOM 777 CB ILE A 48 107.982 -14.411 3.017 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.639 -14.081 4.371 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.618 -15.669 2.416 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.134 -13.790 4.204 1.00 0.00 C ATOM 0 H ILE A 48 107.177 -11.991 3.462 1.00 0.00 H new ATOM 0 HA ILE A 48 109.167 -13.247 1.643 1.00 0.00 H new ATOM 0 HB ILE A 48 106.919 -14.584 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.145 -13.218 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.503 -14.916 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.500 -16.503 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.128 -15.909 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.679 -15.491 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.571 -13.560 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.630 -14.664 3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.267 -12.939 3.536 1.00 0.00 H new ATOM 841 N SER A 52 109.352 -16.986 -2.595 1.00 0.00 N ATOM 842 CA SER A 52 110.561 -16.142 -2.823 1.00 0.00 C ATOM 843 C SER A 52 110.670 -15.100 -1.711 1.00 0.00 C ATOM 844 O SER A 52 109.692 -14.743 -1.084 1.00 0.00 O ATOM 845 CB SER A 52 110.440 -15.433 -4.172 1.00 0.00 C ATOM 846 OG SER A 52 110.636 -16.378 -5.217 1.00 0.00 O ATOM 0 HA SER A 52 111.450 -16.772 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 52 109.458 -14.968 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 52 111.179 -14.635 -4.244 1.00 0.00 H new ATOM 0 HG SER A 52 110.558 -15.928 -6.084 1.00 0.00 H new ATOM 852 N VAL A 53 111.860 -14.622 -1.460 1.00 0.00 N ATOM 853 CA VAL A 53 112.073 -13.607 -0.383 1.00 0.00 C ATOM 854 C VAL A 53 112.587 -12.314 -1.020 1.00 0.00 C ATOM 855 O VAL A 53 113.521 -12.321 -1.796 1.00 0.00 O ATOM 856 CB VAL A 53 113.116 -14.145 0.602 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.323 -13.132 1.734 1.00 0.00 C ATOM 858 CG2 VAL A 53 112.631 -15.488 1.178 1.00 0.00 C ATOM 0 H VAL A 53 112.705 -14.895 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 53 111.140 -13.409 0.144 1.00 0.00 H new ATOM 0 HB VAL A 53 114.063 -14.299 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.065 -13.515 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 53 113.672 -12.187 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.380 -12.972 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 53 113.372 -15.872 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 53 111.683 -15.341 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 53 112.494 -16.203 0.367 1.00 0.00 H new ATOM 868 N LEU A 54 111.976 -11.206 -0.707 1.00 0.00 N ATOM 869 CA LEU A 54 112.424 -9.915 -1.308 1.00 0.00 C ATOM 870 C LEU A 54 113.824 -9.558 -0.798 1.00 0.00 C ATOM 871 O LEU A 54 113.988 -9.093 0.313 1.00 0.00 O ATOM 872 CB LEU A 54 111.448 -8.802 -0.909 1.00 0.00 C ATOM 873 CG LEU A 54 111.698 -7.542 -1.767 1.00 0.00 C ATOM 874 CD1 LEU A 54 110.943 -7.645 -3.096 1.00 0.00 C ATOM 875 CD2 LEU A 54 111.210 -6.297 -1.015 1.00 0.00 C ATOM 0 H LEU A 54 111.188 -11.136 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 54 112.449 -10.018 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.421 -9.144 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.570 -8.562 0.147 1.00 0.00 H new ATOM 0 HG LEU A 54 112.767 -7.464 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.128 -6.750 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.288 -8.522 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.874 -7.736 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.388 -5.411 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.143 -6.389 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.751 -6.205 -0.073 1.00 0.00 H new ATOM 887 N ASP A 55 114.832 -9.755 -1.605 1.00 0.00 N ATOM 888 CA ASP A 55 116.214 -9.405 -1.168 1.00 0.00 C ATOM 889 C ASP A 55 116.359 -7.879 -1.140 1.00 0.00 C ATOM 890 O ASP A 55 116.277 -7.226 -2.161 1.00 0.00 O ATOM 891 CB ASP A 55 117.227 -9.993 -2.153 1.00 0.00 C ATOM 892 CG ASP A 55 118.638 -9.849 -1.579 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.799 -9.086 -0.641 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.532 -10.506 -2.086 1.00 0.00 O ATOM 0 H ASP A 55 114.758 -10.142 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 55 116.398 -9.812 -0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 55 117.003 -11.044 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 55 117.159 -9.479 -3.112 1.00 0.00 H new ATOM 899 N LEU A 56 116.567 -7.300 0.011 1.00 0.00 N ATOM 900 CA LEU A 56 116.708 -5.814 0.070 1.00 0.00 C ATOM 901 C LEU A 56 117.806 -5.367 -0.903 1.00 0.00 C ATOM 902 O LEU A 56 117.883 -4.215 -1.280 1.00 0.00 O ATOM 903 CB LEU A 56 117.042 -5.342 1.503 1.00 0.00 C ATOM 904 CG LEU A 56 117.959 -6.342 2.227 1.00 0.00 C ATOM 905 CD1 LEU A 56 119.316 -6.463 1.507 1.00 0.00 C ATOM 906 CD2 LEU A 56 118.177 -5.847 3.663 1.00 0.00 C ATOM 0 H LEU A 56 116.645 -7.784 0.905 1.00 0.00 H new ATOM 0 HA LEU A 56 115.758 -5.363 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 56 117.526 -4.366 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 56 116.120 -5.216 2.070 1.00 0.00 H new ATOM 0 HG LEU A 56 117.490 -7.326 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 56 119.947 -7.176 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 56 119.157 -6.810 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 56 119.806 -5.489 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 56 118.826 -6.544 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 56 118.643 -4.862 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 56 117.217 -5.783 4.175 1.00 0.00 H new ATOM 918 N TYR A 57 118.658 -6.269 -1.304 1.00 0.00 N ATOM 919 CA TYR A 57 119.754 -5.898 -2.243 1.00 0.00 C ATOM 920 C TYR A 57 119.150 -5.380 -3.553 1.00 0.00 C ATOM 921 O TYR A 57 119.647 -4.445 -4.149 1.00 0.00 O ATOM 922 CB TYR A 57 120.613 -7.142 -2.531 1.00 0.00 C ATOM 923 CG TYR A 57 121.976 -6.729 -3.057 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.097 -6.137 -4.323 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.123 -6.940 -2.275 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.352 -5.757 -4.802 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.382 -6.561 -2.756 1.00 0.00 C ATOM 928 CZ TYR A 57 124.496 -5.966 -4.020 1.00 0.00 C ATOM 929 OH TYR A 57 125.736 -5.592 -4.497 1.00 0.00 O ATOM 0 H TYR A 57 118.643 -7.249 -1.022 1.00 0.00 H new ATOM 0 HA TYR A 57 120.373 -5.119 -1.797 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.730 -7.731 -1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.111 -7.778 -3.260 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.217 -5.975 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.034 -7.396 -1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.441 -5.301 -5.777 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.263 -6.727 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 57 126.421 -5.806 -3.830 1.00 0.00 H new ATOM 939 N GLU A 58 118.098 -5.996 -4.015 1.00 0.00 N ATOM 940 CA GLU A 58 117.483 -5.559 -5.301 1.00 0.00 C ATOM 941 C GLU A 58 117.012 -4.108 -5.194 1.00 0.00 C ATOM 942 O GLU A 58 117.184 -3.328 -6.109 1.00 0.00 O ATOM 943 CB GLU A 58 116.286 -6.461 -5.620 1.00 0.00 C ATOM 944 CG GLU A 58 115.771 -6.161 -7.030 1.00 0.00 C ATOM 945 CD GLU A 58 116.798 -6.632 -8.060 1.00 0.00 C ATOM 946 OE1 GLU A 58 117.622 -7.462 -7.709 1.00 0.00 O ATOM 947 OE2 GLU A 58 116.743 -6.158 -9.183 1.00 0.00 O ATOM 0 H GLU A 58 117.637 -6.783 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 58 118.225 -5.633 -6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.578 -7.508 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.492 -6.299 -4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 58 114.818 -6.664 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 58 115.591 -5.092 -7.143 1.00 0.00 H new ATOM 954 N LEU A 59 116.423 -3.734 -4.096 1.00 0.00 N ATOM 955 CA LEU A 59 115.954 -2.328 -3.963 1.00 0.00 C ATOM 956 C LEU A 59 117.151 -1.383 -4.098 1.00 0.00 C ATOM 957 O LEU A 59 117.111 -0.418 -4.834 1.00 0.00 O ATOM 958 CB LEU A 59 115.287 -2.130 -2.593 1.00 0.00 C ATOM 959 CG LEU A 59 114.794 -0.680 -2.435 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.684 -0.379 -3.455 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.251 -0.488 -1.015 1.00 0.00 C ATOM 0 H LEU A 59 116.246 -4.334 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 59 115.227 -2.110 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.448 -2.818 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 59 115.996 -2.367 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 59 115.625 0.002 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.345 0.650 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 59 114.071 -0.515 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.847 -1.058 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.900 0.537 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.424 -1.177 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.043 -0.687 -0.293 1.00 0.00 H new ATOM 973 N TYR A 60 118.209 -1.641 -3.377 1.00 0.00 N ATOM 974 CA TYR A 60 119.390 -0.737 -3.455 1.00 0.00 C ATOM 975 C TYR A 60 119.943 -0.682 -4.885 1.00 0.00 C ATOM 976 O TYR A 60 120.201 0.383 -5.409 1.00 0.00 O ATOM 977 CB TYR A 60 120.493 -1.209 -2.504 1.00 0.00 C ATOM 978 CG TYR A 60 121.539 -0.125 -2.453 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.221 1.103 -1.868 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.802 -0.323 -3.025 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.155 2.133 -1.852 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.746 0.711 -3.000 1.00 0.00 C ATOM 983 CZ TYR A 60 123.418 1.941 -2.415 1.00 0.00 C ATOM 984 OH TYR A 60 124.334 2.970 -2.401 1.00 0.00 O ATOM 0 H TYR A 60 118.306 -2.433 -2.742 1.00 0.00 H new ATOM 0 HA TYR A 60 119.063 0.261 -3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.088 -1.398 -1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.927 -2.145 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.247 1.253 -1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.047 -1.270 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.903 3.083 -1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.725 0.561 -3.431 1.00 0.00 H new ATOM 0 HH TYR A 60 125.164 2.675 -2.831 1.00 0.00 H new ATOM 994 N ASN A 61 120.154 -1.807 -5.520 1.00 0.00 N ATOM 995 CA ASN A 61 120.717 -1.775 -6.901 1.00 0.00 C ATOM 996 C ASN A 61 119.795 -0.943 -7.808 1.00 0.00 C ATOM 997 O ASN A 61 120.248 -0.114 -8.571 1.00 0.00 O ATOM 998 CB ASN A 61 120.875 -3.235 -7.420 1.00 0.00 C ATOM 999 CG ASN A 61 119.808 -3.603 -8.469 1.00 0.00 C ATOM 1000 OD1 ASN A 61 119.644 -2.917 -9.459 1.00 0.00 O ATOM 1001 ND2 ASN A 61 119.087 -4.675 -8.298 1.00 0.00 N ATOM 0 H ASN A 61 119.963 -2.736 -5.146 1.00 0.00 H new ATOM 0 HA ASN A 61 121.701 -1.306 -6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 61 121.867 -3.358 -7.856 1.00 0.00 H new ATOM 0 HB3 ASN A 61 120.808 -3.926 -6.580 1.00 0.00 H new ATOM 0 HD21 ASN A 61 118.388 -4.936 -8.994 1.00 0.00 H new ATOM 0 HD22 ASN A 61 119.222 -5.253 -7.469 1.00 0.00 H new ATOM 1008 N LEU A 62 118.510 -1.157 -7.728 1.00 0.00 N ATOM 1009 CA LEU A 62 117.573 -0.375 -8.587 1.00 0.00 C ATOM 1010 C LEU A 62 117.676 1.111 -8.237 1.00 0.00 C ATOM 1011 O LEU A 62 117.628 1.966 -9.096 1.00 0.00 O ATOM 1012 CB LEU A 62 116.133 -0.838 -8.338 1.00 0.00 C ATOM 1013 CG LEU A 62 115.927 -2.270 -8.853 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.541 -2.758 -8.418 1.00 0.00 C ATOM 1015 CD2 LEU A 62 116.032 -2.310 -10.392 1.00 0.00 C ATOM 0 H LEU A 62 118.069 -1.836 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 62 117.837 -0.532 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.911 -0.794 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.437 -0.163 -8.837 1.00 0.00 H new ATOM 0 HG LEU A 62 116.699 -2.917 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.384 -3.775 -8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.475 -2.744 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.777 -2.103 -8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.884 -3.332 -10.740 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.268 -1.664 -10.826 1.00 0.00 H new ATOM 0 HD23 LEU A 62 117.018 -1.962 -10.699 1.00 0.00 H new ATOM 1027 N VAL A 63 117.792 1.422 -6.977 1.00 0.00 N ATOM 1028 CA VAL A 63 117.869 2.851 -6.560 1.00 0.00 C ATOM 1029 C VAL A 63 119.112 3.528 -7.161 1.00 0.00 C ATOM 1030 O VAL A 63 119.008 4.542 -7.821 1.00 0.00 O ATOM 1031 CB VAL A 63 117.909 2.897 -5.025 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.388 4.270 -4.544 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.498 2.628 -4.483 1.00 0.00 C ATOM 0 H VAL A 63 117.837 0.746 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 63 116.998 3.395 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 63 118.602 2.139 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.411 4.286 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.389 4.462 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.706 5.040 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.515 2.658 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.813 3.389 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.163 1.645 -4.813 1.00 0.00 H new ATOM 1043 N ILE A 64 120.280 2.992 -6.943 1.00 0.00 N ATOM 1044 CA ILE A 64 121.500 3.632 -7.513 1.00 0.00 C ATOM 1045 C ILE A 64 121.402 3.648 -9.043 1.00 0.00 C ATOM 1046 O ILE A 64 121.774 4.609 -9.688 1.00 0.00 O ATOM 1047 CB ILE A 64 122.744 2.843 -7.081 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.962 2.980 -5.560 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.977 3.351 -7.836 1.00 0.00 C ATOM 1050 CD1 ILE A 64 123.127 4.454 -5.143 1.00 0.00 C ATOM 0 H ILE A 64 120.443 2.145 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 64 121.579 4.655 -7.146 1.00 0.00 H new ATOM 0 HB ILE A 64 122.591 1.790 -7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 64 122.116 2.543 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.848 2.416 -5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.854 2.785 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.826 3.222 -8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 64 124.129 4.408 -7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 64 123.279 4.512 -4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.989 4.883 -5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 64 122.230 5.011 -5.414 1.00 0.00 H new ATOM 1062 N ALA A 65 120.910 2.592 -9.628 1.00 0.00 N ATOM 1063 CA ALA A 65 120.797 2.545 -11.115 1.00 0.00 C ATOM 1064 C ALA A 65 120.025 3.768 -11.620 1.00 0.00 C ATOM 1065 O ALA A 65 120.087 4.111 -12.784 1.00 0.00 O ATOM 1066 CB ALA A 65 120.058 1.271 -11.529 1.00 0.00 C ATOM 0 H ALA A 65 120.581 1.758 -9.142 1.00 0.00 H new ATOM 0 HA ALA A 65 121.797 2.548 -11.550 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.975 1.235 -12.615 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.611 0.399 -11.179 1.00 0.00 H new ATOM 0 HB3 ALA A 65 119.061 1.269 -11.088 1.00 0.00 H new ATOM 1072 N ARG A 66 119.290 4.425 -10.760 1.00 0.00 N ATOM 1073 CA ARG A 66 118.504 5.622 -11.197 1.00 0.00 C ATOM 1074 C ARG A 66 119.302 6.897 -10.908 1.00 0.00 C ATOM 1075 O ARG A 66 118.859 7.992 -11.196 1.00 0.00 O ATOM 1076 CB ARG A 66 117.177 5.664 -10.434 1.00 0.00 C ATOM 1077 CG ARG A 66 116.364 4.391 -10.720 1.00 0.00 C ATOM 1078 CD ARG A 66 115.675 4.485 -12.088 1.00 0.00 C ATOM 1079 NE ARG A 66 114.720 3.348 -12.234 1.00 0.00 N ATOM 1080 CZ ARG A 66 115.145 2.186 -12.654 1.00 0.00 C ATOM 1081 NH1 ARG A 66 115.380 1.997 -13.923 1.00 0.00 N ATOM 1082 NH2 ARG A 66 115.335 1.214 -11.803 1.00 0.00 N ATOM 0 H ARG A 66 119.199 4.185 -9.773 1.00 0.00 H new ATOM 0 HA ARG A 66 118.308 5.556 -12.267 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.366 5.752 -9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.606 6.544 -10.730 1.00 0.00 H new ATOM 0 HG2 ARG A 66 117.020 3.521 -10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 66 115.617 4.248 -9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 66 115.146 5.434 -12.178 1.00 0.00 H new ATOM 0 HD3 ARG A 66 116.418 4.457 -12.885 1.00 0.00 H new ATOM 0 HE ARG A 66 113.734 3.478 -12.006 1.00 0.00 H new ATOM 0 HH11 ARG A 66 115.232 2.756 -14.588 1.00 0.00 H new ATOM 0 HH12 ARG A 66 115.712 1.090 -14.251 1.00 0.00 H new ATOM 0 HH21 ARG A 66 115.152 1.362 -10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 66 115.667 0.307 -12.131 1.00 0.00 H new ATOM 1096 N GLY A 67 120.486 6.765 -10.358 1.00 0.00 N ATOM 1097 CA GLY A 67 121.332 7.968 -10.067 1.00 0.00 C ATOM 1098 C GLY A 67 121.326 8.289 -8.568 1.00 0.00 C ATOM 1099 O GLY A 67 122.085 9.120 -8.112 1.00 0.00 O ATOM 0 H GLY A 67 120.905 5.872 -10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 67 122.354 7.789 -10.401 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.959 8.825 -10.628 1.00 0.00 H new ATOM 1103 N GLY A 68 120.488 7.643 -7.794 1.00 0.00 N ATOM 1104 CA GLY A 68 120.457 7.925 -6.322 1.00 0.00 C ATOM 1105 C GLY A 68 119.018 7.946 -5.812 1.00 0.00 C ATOM 1106 O GLY A 68 118.089 8.228 -6.541 1.00 0.00 O ATOM 0 H GLY A 68 119.827 6.936 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 68 121.027 7.165 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.935 8.883 -6.119 1.00 0.00 H new ATOM 1110 N LEU A 69 118.830 7.660 -4.552 1.00 0.00 N ATOM 1111 CA LEU A 69 117.455 7.675 -3.987 1.00 0.00 C ATOM 1112 C LEU A 69 116.870 9.074 -4.153 1.00 0.00 C ATOM 1113 O LEU A 69 115.709 9.239 -4.468 1.00 0.00 O ATOM 1114 CB LEU A 69 117.512 7.336 -2.494 1.00 0.00 C ATOM 1115 CG LEU A 69 116.085 7.223 -1.920 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.376 5.981 -2.494 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.156 7.122 -0.385 1.00 0.00 C ATOM 0 H LEU A 69 119.569 7.417 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 69 116.837 6.942 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 69 118.047 6.398 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.067 8.107 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 69 115.517 8.110 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.370 5.913 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.318 6.064 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.938 5.086 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.148 7.042 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.731 6.240 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 69 116.639 8.013 0.016 1.00 0.00 H new ATOM 1129 N VAL A 70 117.660 10.086 -3.924 1.00 0.00 N ATOM 1130 CA VAL A 70 117.133 11.468 -4.051 1.00 0.00 C ATOM 1131 C VAL A 70 116.634 11.700 -5.477 1.00 0.00 C ATOM 1132 O VAL A 70 115.612 12.326 -5.683 1.00 0.00 O ATOM 1133 CB VAL A 70 118.228 12.489 -3.719 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.623 13.894 -3.783 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.787 12.233 -2.304 1.00 0.00 C ATOM 0 H VAL A 70 118.642 10.014 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 70 116.308 11.594 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 70 119.042 12.395 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.391 14.632 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.236 14.078 -4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.811 13.974 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.563 12.965 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 70 117.983 12.323 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.210 11.230 -2.256 1.00 0.00 H new ATOM 1145 N ASP A 71 117.333 11.218 -6.472 1.00 0.00 N ATOM 1146 CA ASP A 71 116.851 11.454 -7.862 1.00 0.00 C ATOM 1147 C ASP A 71 115.492 10.769 -8.034 1.00 0.00 C ATOM 1148 O ASP A 71 114.588 11.300 -8.648 1.00 0.00 O ATOM 1149 CB ASP A 71 117.872 10.915 -8.885 1.00 0.00 C ATOM 1150 CG ASP A 71 117.679 9.411 -9.119 1.00 0.00 C ATOM 1151 OD1 ASP A 71 116.633 9.039 -9.624 1.00 0.00 O ATOM 1152 OD2 ASP A 71 118.583 8.662 -8.802 1.00 0.00 O ATOM 0 H ASP A 71 118.197 10.683 -6.385 1.00 0.00 H new ATOM 0 HA ASP A 71 116.741 12.524 -8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 71 117.763 11.450 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 71 118.884 11.103 -8.527 1.00 0.00 H new ATOM 1157 N VAL A 72 115.342 9.595 -7.484 1.00 0.00 N ATOM 1158 CA VAL A 72 114.045 8.875 -7.601 1.00 0.00 C ATOM 1159 C VAL A 72 112.932 9.712 -6.964 1.00 0.00 C ATOM 1160 O VAL A 72 111.892 9.927 -7.552 1.00 0.00 O ATOM 1161 CB VAL A 72 114.152 7.523 -6.885 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.765 6.873 -6.775 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.085 6.607 -7.683 1.00 0.00 C ATOM 0 H VAL A 72 116.064 9.103 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 72 113.810 8.712 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 72 114.550 7.676 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.852 5.914 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.101 7.526 -6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.356 6.717 -7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.166 5.643 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.682 6.461 -8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.072 7.064 -7.753 1.00 0.00 H new ATOM 1173 N ILE A 73 113.134 10.173 -5.760 1.00 0.00 N ATOM 1174 CA ILE A 73 112.077 10.982 -5.089 1.00 0.00 C ATOM 1175 C ILE A 73 111.795 12.241 -5.913 1.00 0.00 C ATOM 1176 O ILE A 73 110.666 12.535 -6.250 1.00 0.00 O ATOM 1177 CB ILE A 73 112.568 11.379 -3.691 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.851 10.113 -2.880 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.495 12.203 -2.970 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.571 10.486 -1.583 1.00 0.00 C ATOM 0 H ILE A 73 113.982 10.025 -5.213 1.00 0.00 H new ATOM 0 HA ILE A 73 111.160 10.398 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 73 113.475 11.975 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.918 9.597 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.463 9.425 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 73 111.854 12.480 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.282 13.105 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.585 11.611 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.772 9.583 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.512 10.983 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.943 11.158 -0.998 1.00 0.00 H new ATOM 1192 N ASN A 74 112.814 12.986 -6.242 1.00 0.00 N ATOM 1193 CA ASN A 74 112.610 14.226 -7.043 1.00 0.00 C ATOM 1194 C ASN A 74 111.979 13.884 -8.397 1.00 0.00 C ATOM 1195 O ASN A 74 111.129 14.599 -8.893 1.00 0.00 O ATOM 1196 CB ASN A 74 113.957 14.916 -7.268 1.00 0.00 C ATOM 1197 CG ASN A 74 113.748 16.190 -8.090 1.00 0.00 C ATOM 1198 OD1 ASN A 74 112.781 16.899 -7.896 1.00 0.00 O ATOM 1199 ND2 ASN A 74 114.621 16.512 -9.004 1.00 0.00 N ATOM 0 H ASN A 74 113.782 12.789 -5.990 1.00 0.00 H new ATOM 0 HA ASN A 74 111.942 14.893 -6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.417 15.160 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.640 14.243 -7.787 1.00 0.00 H new ATOM 0 HD21 ASN A 74 114.492 17.360 -9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.433 15.916 -9.166 1.00 0.00 H new ATOM 1206 N LYS A 75 112.403 12.810 -9.009 1.00 0.00 N ATOM 1207 CA LYS A 75 111.849 12.432 -10.346 1.00 0.00 C ATOM 1208 C LYS A 75 110.663 11.476 -10.176 1.00 0.00 C ATOM 1209 O LYS A 75 110.046 11.064 -11.138 1.00 0.00 O ATOM 1210 CB LYS A 75 112.946 11.741 -11.159 1.00 0.00 C ATOM 1211 CG LYS A 75 114.159 12.671 -11.305 1.00 0.00 C ATOM 1212 CD LYS A 75 113.800 13.890 -12.166 1.00 0.00 C ATOM 1213 CE LYS A 75 115.080 14.533 -12.707 1.00 0.00 C ATOM 1214 NZ LYS A 75 114.723 15.697 -13.566 1.00 0.00 N ATOM 0 H LYS A 75 113.111 12.175 -8.641 1.00 0.00 H new ATOM 0 HA LYS A 75 111.507 13.329 -10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.245 10.815 -10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.564 11.471 -12.144 1.00 0.00 H new ATOM 0 HG2 LYS A 75 114.494 12.999 -10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.988 12.129 -11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 75 113.156 13.587 -12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 75 113.240 14.614 -11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 75 115.715 14.857 -11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 75 115.652 13.804 -13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 115.591 16.135 -13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 114.134 15.375 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 114.195 16.394 -13.004 1.00 0.00 H new ATOM 1228 N LYS A 76 110.334 11.127 -8.965 1.00 0.00 N ATOM 1229 CA LYS A 76 109.182 10.206 -8.738 1.00 0.00 C ATOM 1230 C LYS A 76 109.319 8.970 -9.639 1.00 0.00 C ATOM 1231 O LYS A 76 108.465 8.693 -10.459 1.00 0.00 O ATOM 1232 CB LYS A 76 107.875 10.937 -9.071 1.00 0.00 C ATOM 1233 CG LYS A 76 106.678 10.100 -8.610 1.00 0.00 C ATOM 1234 CD LYS A 76 105.394 10.928 -8.731 1.00 0.00 C ATOM 1235 CE LYS A 76 105.089 11.208 -10.209 1.00 0.00 C ATOM 1236 NZ LYS A 76 103.646 11.548 -10.360 1.00 0.00 N ATOM 0 H LYS A 76 110.812 11.439 -8.120 1.00 0.00 H new ATOM 0 HA LYS A 76 109.172 9.891 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 76 107.858 11.911 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.812 11.117 -10.144 1.00 0.00 H new ATOM 0 HG2 LYS A 76 106.599 9.197 -9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 76 106.821 9.781 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 76 104.562 10.393 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.505 11.867 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 76 105.707 12.030 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.334 10.335 -10.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 103.437 11.738 -11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 103.065 10.751 -10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 103.427 12.393 -9.794 1.00 0.00 H new ATOM 1250 N LEU A 77 110.385 8.220 -9.495 1.00 0.00 N ATOM 1251 CA LEU A 77 110.572 6.991 -10.336 1.00 0.00 C ATOM 1252 C LEU A 77 110.216 5.754 -9.507 1.00 0.00 C ATOM 1253 O LEU A 77 110.591 4.646 -9.837 1.00 0.00 O ATOM 1254 CB LEU A 77 112.027 6.896 -10.814 1.00 0.00 C ATOM 1255 CG LEU A 77 112.329 8.038 -11.800 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.832 8.053 -12.137 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.507 7.861 -13.097 1.00 0.00 C ATOM 0 H LEU A 77 111.136 8.405 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 77 109.920 7.047 -11.208 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.704 6.951 -9.961 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.199 5.933 -11.295 1.00 0.00 H new ATOM 0 HG LEU A 77 112.052 8.984 -11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.040 8.863 -12.835 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.408 8.204 -11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.113 7.102 -12.590 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.732 8.677 -13.784 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.765 6.911 -13.565 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.444 7.871 -12.858 1.00 0.00 H new ATOM 1269 N TRP A 78 109.483 5.933 -8.440 1.00 0.00 N ATOM 1270 CA TRP A 78 109.088 4.765 -7.597 1.00 0.00 C ATOM 1271 C TRP A 78 108.298 3.788 -8.465 1.00 0.00 C ATOM 1272 O TRP A 78 108.249 2.602 -8.204 1.00 0.00 O ATOM 1273 CB TRP A 78 108.191 5.234 -6.447 1.00 0.00 C ATOM 1274 CG TRP A 78 108.993 5.966 -5.417 1.00 0.00 C ATOM 1275 CD1 TRP A 78 108.970 7.305 -5.225 1.00 0.00 C ATOM 1276 CD2 TRP A 78 109.915 5.426 -4.426 1.00 0.00 C ATOM 1277 NE1 TRP A 78 109.818 7.620 -4.178 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.424 6.498 -3.655 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.356 4.126 -4.125 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.336 6.287 -2.621 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.275 3.911 -3.085 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.763 4.990 -2.334 1.00 0.00 C ATOM 0 H TRP A 78 109.140 6.837 -8.115 1.00 0.00 H new ATOM 0 HA TRP A 78 109.980 4.288 -7.190 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.406 5.884 -6.833 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.699 4.376 -5.990 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.386 8.012 -5.795 1.00 0.00 H new ATOM 0 HE1 TRP A 78 109.976 8.568 -3.835 1.00 0.00 H new ATOM 0 HE3 TRP A 78 109.986 3.288 -4.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 111.709 7.122 -2.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.608 2.908 -2.862 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.468 4.817 -1.535 1.00 0.00 H new ATOM 1293 N GLN A 79 107.673 4.285 -9.495 1.00 0.00 N ATOM 1294 CA GLN A 79 106.876 3.404 -10.389 1.00 0.00 C ATOM 1295 C GLN A 79 107.792 2.338 -10.992 1.00 0.00 C ATOM 1296 O GLN A 79 107.421 1.188 -11.122 1.00 0.00 O ATOM 1297 CB GLN A 79 106.263 4.251 -11.509 1.00 0.00 C ATOM 1298 CG GLN A 79 105.217 3.432 -12.269 1.00 0.00 C ATOM 1299 CD GLN A 79 104.007 3.184 -11.367 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.326 4.110 -10.974 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.704 1.962 -11.023 1.00 0.00 N ATOM 0 H GLN A 79 107.681 5.271 -9.757 1.00 0.00 H new ATOM 0 HA GLN A 79 106.081 2.919 -9.822 1.00 0.00 H new ATOM 0 HB2 GLN A 79 105.803 5.146 -11.090 1.00 0.00 H new ATOM 0 HB3 GLN A 79 107.043 4.585 -12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 79 104.909 3.962 -13.170 1.00 0.00 H new ATOM 0 HG3 GLN A 79 105.646 2.482 -12.589 1.00 0.00 H new ATOM 0 HE21 GLN A 79 104.275 1.183 -11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.897 1.786 -10.425 1.00 0.00 H new ATOM 1310 N GLU A 80 108.989 2.709 -11.361 1.00 0.00 N ATOM 1311 CA GLU A 80 109.925 1.714 -11.956 1.00 0.00 C ATOM 1312 C GLU A 80 110.190 0.581 -10.956 1.00 0.00 C ATOM 1313 O GLU A 80 110.085 -0.582 -11.287 1.00 0.00 O ATOM 1314 CB GLU A 80 111.247 2.408 -12.301 1.00 0.00 C ATOM 1315 CG GLU A 80 111.036 3.355 -13.486 1.00 0.00 C ATOM 1316 CD GLU A 80 110.822 2.534 -14.759 1.00 0.00 C ATOM 1317 OE1 GLU A 80 111.723 1.795 -15.122 1.00 0.00 O ATOM 1318 OE2 GLU A 80 109.765 2.662 -15.353 1.00 0.00 O ATOM 0 H GLU A 80 109.358 3.656 -11.276 1.00 0.00 H new ATOM 0 HA GLU A 80 109.480 1.296 -12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.613 2.965 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 80 112.006 1.665 -12.547 1.00 0.00 H new ATOM 0 HG2 GLU A 80 110.174 3.997 -13.304 1.00 0.00 H new ATOM 0 HG3 GLU A 80 111.901 4.008 -13.602 1.00 0.00 H new ATOM 1325 N ILE A 81 110.531 0.905 -9.737 1.00 0.00 N ATOM 1326 CA ILE A 81 110.797 -0.166 -8.731 1.00 0.00 C ATOM 1327 C ILE A 81 109.532 -1.018 -8.546 1.00 0.00 C ATOM 1328 O ILE A 81 109.564 -2.236 -8.603 1.00 0.00 O ATOM 1329 CB ILE A 81 111.174 0.492 -7.395 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.544 1.172 -7.523 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.239 -0.568 -6.291 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.739 2.150 -6.363 1.00 0.00 C ATOM 0 H ILE A 81 110.637 1.860 -9.395 1.00 0.00 H new ATOM 0 HA ILE A 81 111.613 -0.803 -9.072 1.00 0.00 H new ATOM 0 HB ILE A 81 110.418 1.235 -7.140 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.336 0.423 -7.518 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.612 1.701 -8.474 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.507 -0.094 -5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.267 -1.050 -6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.990 -1.315 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.712 2.633 -6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 81 111.955 2.906 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.690 1.608 -5.418 1.00 0.00 H new ATOM 1344 N ILE A 82 108.417 -0.378 -8.325 1.00 0.00 N ATOM 1345 CA ILE A 82 107.145 -1.126 -8.129 1.00 0.00 C ATOM 1346 C ILE A 82 106.787 -1.885 -9.411 1.00 0.00 C ATOM 1347 O ILE A 82 106.353 -3.017 -9.372 1.00 0.00 O ATOM 1348 CB ILE A 82 106.033 -0.129 -7.782 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.284 0.431 -6.378 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.674 -0.836 -7.816 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.347 1.612 -6.116 1.00 0.00 C ATOM 0 H ILE A 82 108.333 0.637 -8.272 1.00 0.00 H new ATOM 0 HA ILE A 82 107.259 -1.845 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 82 106.031 0.683 -8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 82 106.121 -0.347 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.322 0.751 -6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.887 -0.124 -7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.498 -1.239 -8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.669 -1.649 -7.090 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.530 2.006 -5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.531 2.393 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.312 1.279 -6.191 1.00 0.00 H new ATOM 1537 N ALA A 95 105.011 2.550 -2.568 1.00 0.00 N ATOM 1538 CA ALA A 95 105.969 3.683 -2.700 1.00 0.00 C ATOM 1539 C ALA A 95 106.145 4.354 -1.337 1.00 0.00 C ATOM 1540 O ALA A 95 107.239 4.710 -0.950 1.00 0.00 O ATOM 1541 CB ALA A 95 105.423 4.699 -3.709 1.00 0.00 C ATOM 0 HA ALA A 95 106.932 3.312 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 95 106.124 5.528 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 95 105.295 4.217 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.461 5.076 -3.362 1.00 0.00 H new ATOM 1547 N PHE A 96 105.078 4.529 -0.609 1.00 0.00 N ATOM 1548 CA PHE A 96 105.188 5.178 0.728 1.00 0.00 C ATOM 1549 C PHE A 96 105.906 4.241 1.708 1.00 0.00 C ATOM 1550 O PHE A 96 106.704 4.666 2.517 1.00 0.00 O ATOM 1551 CB PHE A 96 103.786 5.483 1.258 1.00 0.00 C ATOM 1552 CG PHE A 96 103.891 6.332 2.501 1.00 0.00 C ATOM 1553 CD1 PHE A 96 103.982 5.727 3.760 1.00 0.00 C ATOM 1554 CD2 PHE A 96 103.899 7.728 2.394 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.081 6.517 4.911 1.00 0.00 C ATOM 1556 CE2 PHE A 96 103.999 8.519 3.544 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.089 7.914 4.803 1.00 0.00 C ATOM 0 H PHE A 96 104.135 4.251 -0.881 1.00 0.00 H new ATOM 0 HA PHE A 96 105.758 6.102 0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.204 6.003 0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.261 4.555 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 96 103.976 4.650 3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.828 8.195 1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.151 6.050 5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.007 9.596 3.460 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.165 8.524 5.691 1.00 0.00 H new ATOM 1567 N THR A 97 105.615 2.970 1.650 1.00 0.00 N ATOM 1568 CA THR A 97 106.271 2.008 2.584 1.00 0.00 C ATOM 1569 C THR A 97 107.769 1.896 2.283 1.00 0.00 C ATOM 1570 O THR A 97 108.585 1.811 3.176 1.00 0.00 O ATOM 1571 CB THR A 97 105.625 0.630 2.428 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.242 0.716 2.741 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.310 -0.368 3.364 1.00 0.00 C ATOM 0 H THR A 97 104.951 2.555 0.996 1.00 0.00 H new ATOM 0 HA THR A 97 106.143 2.371 3.604 1.00 0.00 H new ATOM 0 HB THR A 97 105.739 0.289 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.828 -0.166 2.639 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.848 -1.349 3.251 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.369 -0.434 3.113 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.202 -0.033 4.395 1.00 0.00 H new ATOM 1581 N LEU A 98 108.134 1.861 1.034 1.00 0.00 N ATOM 1582 CA LEU A 98 109.577 1.721 0.687 1.00 0.00 C ATOM 1583 C LEU A 98 110.381 2.933 1.177 1.00 0.00 C ATOM 1584 O LEU A 98 111.417 2.790 1.796 1.00 0.00 O ATOM 1585 CB LEU A 98 109.724 1.612 -0.831 1.00 0.00 C ATOM 1586 CG LEU A 98 109.127 0.289 -1.334 1.00 0.00 C ATOM 1587 CD1 LEU A 98 109.068 0.319 -2.865 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.990 -0.905 -0.870 1.00 0.00 C ATOM 0 H LEU A 98 107.499 1.923 0.238 1.00 0.00 H new ATOM 0 HA LEU A 98 109.961 0.824 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 98 109.222 2.451 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.777 1.671 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 98 108.124 0.170 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.645 -0.617 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 98 108.443 1.151 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.074 0.444 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.552 -1.834 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.000 -0.799 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.028 -0.925 0.219 1.00 0.00 H new ATOM 1600 N ARG A 99 109.935 4.122 0.875 1.00 0.00 N ATOM 1601 CA ARG A 99 110.699 5.338 1.290 1.00 0.00 C ATOM 1602 C ARG A 99 110.855 5.423 2.815 1.00 0.00 C ATOM 1603 O ARG A 99 111.892 5.821 3.307 1.00 0.00 O ATOM 1604 CB ARG A 99 110.003 6.598 0.759 1.00 0.00 C ATOM 1605 CG ARG A 99 108.571 6.674 1.282 1.00 0.00 C ATOM 1606 CD ARG A 99 107.895 7.928 0.721 1.00 0.00 C ATOM 1607 NE ARG A 99 107.720 7.781 -0.752 1.00 0.00 N ATOM 1608 CZ ARG A 99 107.266 8.780 -1.460 1.00 0.00 C ATOM 1609 NH1 ARG A 99 107.526 10.007 -1.101 1.00 0.00 N ATOM 1610 NH2 ARG A 99 106.551 8.552 -2.527 1.00 0.00 N ATOM 0 H ARG A 99 109.075 4.306 0.359 1.00 0.00 H new ATOM 0 HA ARG A 99 111.699 5.265 0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.557 7.485 1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.999 6.587 -0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.016 5.784 0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.570 6.703 2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 99 106.927 8.078 1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.499 8.809 0.940 1.00 0.00 H new ATOM 0 HE ARG A 99 107.955 6.899 -1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.084 10.187 -0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.171 10.787 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 99 106.346 7.593 -2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.197 9.333 -3.080 1.00 0.00 H new ATOM 1624 N THR A 100 109.847 5.087 3.575 1.00 0.00 N ATOM 1625 CA THR A 100 109.990 5.200 5.060 1.00 0.00 C ATOM 1626 C THR A 100 110.957 4.133 5.601 1.00 0.00 C ATOM 1627 O THR A 100 111.786 4.417 6.442 1.00 0.00 O ATOM 1628 CB THR A 100 108.605 5.080 5.732 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.614 5.817 6.947 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.256 3.618 6.034 1.00 0.00 C ATOM 0 H THR A 100 108.945 4.745 3.242 1.00 0.00 H new ATOM 0 HA THR A 100 110.410 6.177 5.297 1.00 0.00 H new ATOM 0 HB THR A 100 107.855 5.477 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.737 5.747 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.275 3.568 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.240 3.048 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.004 3.197 6.705 1.00 0.00 H new ATOM 1638 N GLN A 101 110.860 2.913 5.140 1.00 0.00 N ATOM 1639 CA GLN A 101 111.781 1.861 5.660 1.00 0.00 C ATOM 1640 C GLN A 101 113.202 2.142 5.178 1.00 0.00 C ATOM 1641 O GLN A 101 114.159 2.040 5.925 1.00 0.00 O ATOM 1642 CB GLN A 101 111.326 0.490 5.154 1.00 0.00 C ATOM 1643 CG GLN A 101 110.016 0.108 5.845 1.00 0.00 C ATOM 1644 CD GLN A 101 109.436 -1.146 5.189 1.00 0.00 C ATOM 1645 OE1 GLN A 101 109.666 -1.400 4.023 1.00 0.00 O ATOM 1646 NE2 GLN A 101 108.687 -1.947 5.897 1.00 0.00 N ATOM 0 H GLN A 101 110.192 2.603 4.435 1.00 0.00 H new ATOM 0 HA GLN A 101 111.763 1.868 6.750 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.187 0.516 4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 101 112.091 -0.259 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 101 110.192 -0.072 6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.303 0.930 5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 101 108.494 -1.733 6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 101 108.294 -2.787 5.472 1.00 0.00 H new ATOM 1655 N TYR A 102 113.347 2.510 3.939 1.00 0.00 N ATOM 1656 CA TYR A 102 114.700 2.814 3.414 1.00 0.00 C ATOM 1657 C TYR A 102 115.277 3.962 4.242 1.00 0.00 C ATOM 1658 O TYR A 102 116.422 3.956 4.645 1.00 0.00 O ATOM 1659 CB TYR A 102 114.590 3.242 1.947 1.00 0.00 C ATOM 1660 CG TYR A 102 115.959 3.272 1.302 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.799 4.379 1.466 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.383 2.189 0.525 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.059 4.395 0.853 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.642 2.209 -0.087 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.479 3.314 0.077 1.00 0.00 C ATOM 1666 OH TYR A 102 119.719 3.340 -0.524 1.00 0.00 O ATOM 0 H TYR A 102 112.586 2.613 3.268 1.00 0.00 H new ATOM 0 HA TYR A 102 115.344 1.937 3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.942 2.551 1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.129 4.228 1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.477 5.219 2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.736 1.334 0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.708 5.248 0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.965 1.370 -0.686 1.00 0.00 H new ATOM 0 HH TYR A 102 119.749 4.066 -1.182 1.00 0.00 H new ATOM 1676 N MET A 103 114.465 4.950 4.486 1.00 0.00 N ATOM 1677 CA MET A 103 114.900 6.131 5.277 1.00 0.00 C ATOM 1678 C MET A 103 115.307 5.717 6.697 1.00 0.00 C ATOM 1679 O MET A 103 116.228 6.265 7.268 1.00 0.00 O ATOM 1680 CB MET A 103 113.735 7.129 5.348 1.00 0.00 C ATOM 1681 CG MET A 103 114.186 8.427 6.029 1.00 0.00 C ATOM 1682 SD MET A 103 115.328 9.323 4.942 1.00 0.00 S ATOM 1683 CE MET A 103 114.147 9.752 3.635 1.00 0.00 C ATOM 0 H MET A 103 113.498 4.989 4.163 1.00 0.00 H new ATOM 0 HA MET A 103 115.764 6.587 4.794 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.371 7.345 4.344 1.00 0.00 H new ATOM 0 HB3 MET A 103 112.904 6.690 5.901 1.00 0.00 H new ATOM 0 HG2 MET A 103 113.321 9.050 6.256 1.00 0.00 H new ATOM 0 HG3 MET A 103 114.673 8.201 6.977 1.00 0.00 H new ATOM 0 HE1 MET A 103 114.436 10.700 3.180 1.00 0.00 H new ATOM 0 HE2 MET A 103 114.145 8.970 2.875 1.00 0.00 H new ATOM 0 HE3 MET A 103 113.149 9.844 4.063 1.00 0.00 H new ATOM 1693 N LYS A 104 114.594 4.803 7.295 1.00 0.00 N ATOM 1694 CA LYS A 104 114.906 4.420 8.704 1.00 0.00 C ATOM 1695 C LYS A 104 116.339 3.870 8.857 1.00 0.00 C ATOM 1696 O LYS A 104 116.988 4.155 9.845 1.00 0.00 O ATOM 1697 CB LYS A 104 113.889 3.372 9.187 1.00 0.00 C ATOM 1698 CG LYS A 104 113.850 3.353 10.724 1.00 0.00 C ATOM 1699 CD LYS A 104 112.749 2.393 11.216 1.00 0.00 C ATOM 1700 CE LYS A 104 111.390 3.106 11.244 1.00 0.00 C ATOM 1701 NZ LYS A 104 110.348 2.163 11.744 1.00 0.00 N ATOM 0 H LYS A 104 113.811 4.305 6.872 1.00 0.00 H new ATOM 0 HA LYS A 104 114.838 5.320 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.900 3.603 8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.161 2.387 8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 104 114.818 3.040 11.116 1.00 0.00 H new ATOM 0 HG3 LYS A 104 113.663 4.358 11.103 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.697 1.523 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.995 2.027 12.213 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.441 3.984 11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 104 111.130 3.457 10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 109.426 2.643 11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 110.295 1.338 11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 110.596 1.849 12.704 1.00 0.00 H new ATOM 1715 N TYR A 105 116.845 3.068 7.934 1.00 0.00 N ATOM 1716 CA TYR A 105 118.242 2.511 8.123 1.00 0.00 C ATOM 1717 C TYR A 105 119.081 2.514 6.832 1.00 0.00 C ATOM 1718 O TYR A 105 120.259 2.221 6.883 1.00 0.00 O ATOM 1719 CB TYR A 105 118.156 1.061 8.605 1.00 0.00 C ATOM 1720 CG TYR A 105 117.456 0.989 9.939 1.00 0.00 C ATOM 1721 CD1 TYR A 105 118.154 1.294 11.115 1.00 0.00 C ATOM 1722 CD2 TYR A 105 116.113 0.605 10.002 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.505 1.217 12.353 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.465 0.525 11.236 1.00 0.00 C ATOM 1725 CZ TYR A 105 116.160 0.832 12.414 1.00 0.00 C ATOM 1726 OH TYR A 105 115.519 0.754 13.634 1.00 0.00 O ATOM 0 H TYR A 105 116.368 2.780 7.080 1.00 0.00 H new ATOM 0 HA TYR A 105 118.728 3.160 8.851 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.618 0.459 7.872 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.158 0.640 8.690 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.192 1.588 11.066 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.576 0.370 9.095 1.00 0.00 H new ATOM 0 HE1 TYR A 105 118.041 1.454 13.260 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.428 0.227 11.283 1.00 0.00 H new ATOM 0 HH TYR A 105 114.590 0.473 13.498 1.00 0.00 H new ATOM 1736 N LEU A 106 118.516 2.794 5.681 1.00 0.00 N ATOM 1737 CA LEU A 106 119.338 2.748 4.415 1.00 0.00 C ATOM 1738 C LEU A 106 119.693 4.157 3.914 1.00 0.00 C ATOM 1739 O LEU A 106 120.650 4.325 3.183 1.00 0.00 O ATOM 1740 CB LEU A 106 118.545 2.001 3.336 1.00 0.00 C ATOM 1741 CG LEU A 106 118.575 0.478 3.618 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.355 -0.206 2.983 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.861 -0.142 3.038 1.00 0.00 C ATOM 0 H LEU A 106 117.536 3.049 5.557 1.00 0.00 H new ATOM 0 HA LEU A 106 120.273 2.230 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.515 2.356 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 106 118.969 2.206 2.353 1.00 0.00 H new ATOM 0 HG LEU A 106 118.552 0.328 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.389 -1.276 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.442 0.215 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.367 -0.044 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.873 -1.213 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.891 0.023 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.731 0.325 3.501 1.00 0.00 H new ATOM 1755 N TYR A 107 118.960 5.172 4.287 1.00 0.00 N ATOM 1756 CA TYR A 107 119.322 6.536 3.796 1.00 0.00 C ATOM 1757 C TYR A 107 120.689 6.964 4.360 1.00 0.00 C ATOM 1758 O TYR A 107 121.457 7.594 3.660 1.00 0.00 O ATOM 1759 CB TYR A 107 118.217 7.557 4.131 1.00 0.00 C ATOM 1760 CG TYR A 107 118.726 8.967 3.949 1.00 0.00 C ATOM 1761 CD1 TYR A 107 118.635 9.585 2.696 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.277 9.658 5.033 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.097 10.895 2.527 1.00 0.00 C ATOM 1764 CE2 TYR A 107 119.741 10.968 4.864 1.00 0.00 C ATOM 1765 CZ TYR A 107 119.650 11.587 3.611 1.00 0.00 C ATOM 1766 OH TYR A 107 120.104 12.879 3.446 1.00 0.00 O ATOM 0 H TYR A 107 118.144 5.121 4.897 1.00 0.00 H new ATOM 0 HA TYR A 107 119.407 6.503 2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.353 7.390 3.488 1.00 0.00 H new ATOM 0 HB3 TYR A 107 117.882 7.415 5.158 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.208 9.051 1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.344 9.181 6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.027 11.372 1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.169 11.501 5.700 1.00 0.00 H new ATOM 0 HH TYR A 107 120.456 13.213 4.297 1.00 0.00 H new ATOM 1776 N PRO A 108 121.031 6.625 5.588 1.00 0.00 N ATOM 1777 CA PRO A 108 122.362 7.009 6.123 1.00 0.00 C ATOM 1778 C PRO A 108 123.462 6.130 5.507 1.00 0.00 C ATOM 1779 O PRO A 108 124.521 6.600 5.138 1.00 0.00 O ATOM 1780 CB PRO A 108 122.199 6.755 7.639 1.00 0.00 C ATOM 1781 CG PRO A 108 120.771 6.227 7.885 1.00 0.00 C ATOM 1782 CD PRO A 108 120.163 5.859 6.524 1.00 0.00 C ATOM 0 HA PRO A 108 122.657 8.034 5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 108 122.937 6.032 7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.367 7.675 8.199 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.794 5.357 8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.164 6.984 8.382 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.203 4.786 6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.117 6.157 6.449 1.00 0.00 H new ATOM 1790 N TYR A 109 123.201 4.854 5.387 1.00 0.00 N ATOM 1791 CA TYR A 109 124.205 3.929 4.788 1.00 0.00 C ATOM 1792 C TYR A 109 124.485 4.371 3.351 1.00 0.00 C ATOM 1793 O TYR A 109 125.619 4.536 2.950 1.00 0.00 O ATOM 1794 CB TYR A 109 123.636 2.507 4.789 1.00 0.00 C ATOM 1795 CG TYR A 109 124.718 1.517 4.418 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.777 1.290 5.304 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.658 0.816 3.204 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.776 0.366 4.981 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.660 -0.107 2.880 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.719 -0.333 3.770 1.00 0.00 C ATOM 1801 OH TYR A 109 127.704 -1.246 3.455 1.00 0.00 O ATOM 0 H TYR A 109 122.330 4.412 5.680 1.00 0.00 H new ATOM 0 HA TYR A 109 125.130 3.949 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.235 2.268 5.774 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.809 2.437 4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.823 1.829 6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.840 0.988 2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.592 0.192 5.667 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.617 -0.645 1.944 1.00 0.00 H new ATOM 0 HH TYR A 109 127.402 -1.810 2.713 1.00 0.00 H new ATOM 1811 N GLU A 110 123.452 4.580 2.577 1.00 0.00 N ATOM 1812 CA GLU A 110 123.648 5.031 1.173 1.00 0.00 C ATOM 1813 C GLU A 110 124.495 6.304 1.173 1.00 0.00 C ATOM 1814 O GLU A 110 125.471 6.416 0.460 1.00 0.00 O ATOM 1815 CB GLU A 110 122.280 5.333 0.555 1.00 0.00 C ATOM 1816 CG GLU A 110 122.458 5.806 -0.888 1.00 0.00 C ATOM 1817 CD GLU A 110 121.084 5.926 -1.555 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.097 5.690 -0.878 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.042 6.241 -2.733 1.00 0.00 O ATOM 0 H GLU A 110 122.480 4.457 2.860 1.00 0.00 H new ATOM 0 HA GLU A 110 124.151 4.255 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.654 4.441 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.768 6.099 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 110 122.969 6.768 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.082 5.103 -1.439 1.00 0.00 H new ATOM 1826 N CYS A 111 124.120 7.263 1.974 1.00 0.00 N ATOM 1827 CA CYS A 111 124.890 8.537 2.034 1.00 0.00 C ATOM 1828 C CYS A 111 126.300 8.279 2.581 1.00 0.00 C ATOM 1829 O CYS A 111 127.267 8.846 2.125 1.00 0.00 O ATOM 1830 CB CYS A 111 124.163 9.522 2.952 1.00 0.00 C ATOM 1831 SG CYS A 111 125.033 11.108 2.949 1.00 0.00 S ATOM 0 H CYS A 111 123.310 7.219 2.592 1.00 0.00 H new ATOM 0 HA CYS A 111 124.970 8.953 1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 111 123.135 9.659 2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.116 9.123 3.965 1.00 0.00 H new ATOM 0 HG CYS A 111 124.413 11.942 2.168 1.00 0.00 H new ATOM 1837 N GLU A 112 126.430 7.440 3.566 1.00 0.00 N ATOM 1838 CA GLU A 112 127.784 7.184 4.132 1.00 0.00 C ATOM 1839 C GLU A 112 128.665 6.495 3.084 1.00 0.00 C ATOM 1840 O GLU A 112 129.819 6.833 2.913 1.00 0.00 O ATOM 1841 CB GLU A 112 127.651 6.277 5.362 1.00 0.00 C ATOM 1842 CG GLU A 112 129.014 6.103 6.044 1.00 0.00 C ATOM 1843 CD GLU A 112 129.454 7.434 6.657 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.618 8.314 6.780 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.621 7.549 6.998 1.00 0.00 O ATOM 0 H GLU A 112 125.666 6.923 4.002 1.00 0.00 H new ATOM 0 HA GLU A 112 128.243 8.131 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 112 126.937 6.708 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.259 5.305 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 112 128.950 5.338 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.754 5.762 5.320 1.00 0.00 H new ATOM 1852 N LYS A 113 128.139 5.516 2.399 1.00 0.00 N ATOM 1853 CA LYS A 113 128.959 4.789 1.385 1.00 0.00 C ATOM 1854 C LYS A 113 129.230 5.645 0.140 1.00 0.00 C ATOM 1855 O LYS A 113 130.315 5.606 -0.406 1.00 0.00 O ATOM 1856 CB LYS A 113 128.222 3.516 0.952 1.00 0.00 C ATOM 1857 CG LYS A 113 128.033 2.560 2.144 1.00 0.00 C ATOM 1858 CD LYS A 113 129.298 1.706 2.370 1.00 0.00 C ATOM 1859 CE LYS A 113 129.294 0.485 1.441 1.00 0.00 C ATOM 1860 NZ LYS A 113 130.431 -0.410 1.800 1.00 0.00 N ATOM 0 H LYS A 113 127.178 5.188 2.497 1.00 0.00 H new ATOM 0 HA LYS A 113 129.915 4.549 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.251 3.778 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 113 128.785 3.015 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 113 127.811 3.134 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 113 127.178 1.909 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 113 130.188 2.308 2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 113 129.343 1.380 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 113 128.350 -0.053 1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 113 129.381 0.804 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 130.493 -1.186 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 131.317 0.134 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 130.276 -0.804 2.750 1.00 0.00 H new ATOM 1874 N LYS A 114 128.252 6.383 -0.345 1.00 0.00 N ATOM 1875 CA LYS A 114 128.461 7.198 -1.595 1.00 0.00 C ATOM 1876 C LYS A 114 128.278 8.701 -1.335 1.00 0.00 C ATOM 1877 O LYS A 114 128.675 9.516 -2.143 1.00 0.00 O ATOM 1878 CB LYS A 114 127.446 6.750 -2.656 1.00 0.00 C ATOM 1879 CG LYS A 114 127.723 5.300 -3.096 1.00 0.00 C ATOM 1880 CD LYS A 114 128.897 5.247 -4.089 1.00 0.00 C ATOM 1881 CE LYS A 114 128.957 3.862 -4.740 1.00 0.00 C ATOM 1882 NZ LYS A 114 128.701 2.811 -3.715 1.00 0.00 N ATOM 0 H LYS A 114 127.322 6.457 0.068 1.00 0.00 H new ATOM 0 HA LYS A 114 129.483 7.036 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.435 6.827 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.498 7.414 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 114 127.950 4.687 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 114 126.830 4.878 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 114 128.775 6.014 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 114 129.833 5.458 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 114 128.217 3.793 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 114 129.934 3.707 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 129.095 1.905 -4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 129.153 3.083 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 127.676 2.710 -3.570 1.00 0.00 H new ATOM 1896 N ASN A 115 127.690 9.092 -0.235 1.00 0.00 N ATOM 1897 CA ASN A 115 127.515 10.558 0.011 1.00 0.00 C ATOM 1898 C ASN A 115 126.841 11.197 -1.207 1.00 0.00 C ATOM 1899 O ASN A 115 127.313 12.174 -1.754 1.00 0.00 O ATOM 1900 CB ASN A 115 128.889 11.195 0.236 1.00 0.00 C ATOM 1901 CG ASN A 115 128.715 12.630 0.732 1.00 0.00 C ATOM 1902 OD1 ASN A 115 127.611 13.127 0.820 1.00 0.00 O ATOM 1903 ND2 ASN A 115 129.770 13.323 1.062 1.00 0.00 N ATOM 0 H ASN A 115 127.329 8.475 0.493 1.00 0.00 H new ATOM 0 HA ASN A 115 126.893 10.716 0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.455 10.614 0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.461 11.187 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 115 129.667 14.282 1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 115 130.698 12.906 0.988 1.00 0.00 H new ATOM 1910 N LEU A 116 125.748 10.633 -1.639 1.00 0.00 N ATOM 1911 CA LEU A 116 125.034 11.173 -2.832 1.00 0.00 C ATOM 1912 C LEU A 116 124.548 12.601 -2.573 1.00 0.00 C ATOM 1913 O LEU A 116 124.571 13.440 -3.452 1.00 0.00 O ATOM 1914 CB LEU A 116 123.798 10.316 -3.102 1.00 0.00 C ATOM 1915 CG LEU A 116 124.190 8.862 -3.367 1.00 0.00 C ATOM 1916 CD1 LEU A 116 122.911 8.029 -3.470 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.988 8.752 -4.677 1.00 0.00 C ATOM 0 H LEU A 116 125.314 9.814 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 116 125.724 11.162 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.123 10.365 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.256 10.713 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 116 124.816 8.497 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.170 6.987 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.354 8.101 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.297 8.405 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.260 7.711 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.378 9.112 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.893 9.355 -4.604 1.00 0.00 H new ATOM 1929 N SER A 117 124.060 12.875 -1.393 1.00 0.00 N ATOM 1930 CA SER A 117 123.521 14.238 -1.113 1.00 0.00 C ATOM 1931 C SER A 117 123.547 14.526 0.394 1.00 0.00 C ATOM 1932 O SER A 117 124.131 13.796 1.169 1.00 0.00 O ATOM 1933 CB SER A 117 122.073 14.295 -1.633 1.00 0.00 C ATOM 1934 OG SER A 117 121.604 12.969 -1.840 1.00 0.00 O ATOM 0 H SER A 117 124.011 12.218 -0.614 1.00 0.00 H new ATOM 0 HA SER A 117 124.134 14.989 -1.611 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.435 14.812 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 117 122.029 14.860 -2.564 1.00 0.00 H new ATOM 0 HG SER A 117 121.434 12.827 -2.795 1.00 0.00 H new ATOM 1940 N THR A 118 122.908 15.602 0.803 1.00 0.00 N ATOM 1941 CA THR A 118 122.876 15.970 2.257 1.00 0.00 C ATOM 1942 C THR A 118 121.429 16.331 2.637 1.00 0.00 C ATOM 1943 O THR A 118 120.666 16.753 1.797 1.00 0.00 O ATOM 1944 CB THR A 118 123.785 17.188 2.471 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.596 18.106 1.405 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.248 16.738 2.503 1.00 0.00 C ATOM 0 H THR A 118 122.406 16.242 0.188 1.00 0.00 H new ATOM 0 HA THR A 118 123.222 15.141 2.874 1.00 0.00 H new ATOM 0 HB THR A 118 123.535 17.668 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.174 18.886 1.539 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.892 17.604 2.655 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.393 16.030 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.502 16.259 1.558 1.00 0.00 H new ATOM 1954 N PRO A 119 121.029 16.176 3.879 1.00 0.00 N ATOM 1955 CA PRO A 119 119.633 16.518 4.260 1.00 0.00 C ATOM 1956 C PRO A 119 119.208 17.878 3.685 1.00 0.00 C ATOM 1957 O PRO A 119 118.037 18.173 3.551 1.00 0.00 O ATOM 1958 CB PRO A 119 119.703 16.523 5.804 1.00 0.00 C ATOM 1959 CG PRO A 119 121.146 16.167 6.224 1.00 0.00 C ATOM 1960 CD PRO A 119 121.900 15.676 4.978 1.00 0.00 C ATOM 0 HA PRO A 119 118.887 15.824 3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.424 17.502 6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 119 118.998 15.803 6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.644 17.038 6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.139 15.395 6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 119 122.908 16.088 4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 119 121.998 14.591 4.961 1.00 0.00 H new ATOM 1968 N ALA A 120 120.162 18.701 3.346 1.00 0.00 N ATOM 1969 CA ALA A 120 119.845 20.044 2.777 1.00 0.00 C ATOM 1970 C ALA A 120 119.208 19.913 1.393 1.00 0.00 C ATOM 1971 O ALA A 120 118.101 20.359 1.155 1.00 0.00 O ATOM 1972 CB ALA A 120 121.142 20.825 2.620 1.00 0.00 C ATOM 0 H ALA A 120 121.158 18.499 3.439 1.00 0.00 H new ATOM 0 HA ALA A 120 119.151 20.550 3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.926 21.809 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.619 20.938 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.812 20.287 1.949 1.00 0.00 H new ATOM 1978 N GLU A 121 119.915 19.319 0.473 1.00 0.00 N ATOM 1979 CA GLU A 121 119.379 19.174 -0.903 1.00 0.00 C ATOM 1980 C GLU A 121 118.229 18.167 -0.886 1.00 0.00 C ATOM 1981 O GLU A 121 117.342 18.207 -1.715 1.00 0.00 O ATOM 1982 CB GLU A 121 120.511 18.709 -1.828 1.00 0.00 C ATOM 1983 CG GLU A 121 120.882 17.260 -1.517 1.00 0.00 C ATOM 1984 CD GLU A 121 119.923 16.321 -2.254 1.00 0.00 C ATOM 1985 OE1 GLU A 121 119.828 16.440 -3.464 1.00 0.00 O ATOM 1986 OE2 GLU A 121 119.302 15.505 -1.593 1.00 0.00 O ATOM 0 H GLU A 121 120.845 18.927 0.619 1.00 0.00 H new ATOM 0 HA GLU A 121 118.997 20.126 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 121 120.200 18.797 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 121 121.382 19.351 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.909 17.062 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 121 120.829 17.082 -0.443 1.00 0.00 H new ATOM 1993 N LEU A 122 118.225 17.277 0.069 1.00 0.00 N ATOM 1994 CA LEU A 122 117.117 16.286 0.153 1.00 0.00 C ATOM 1995 C LEU A 122 115.810 17.051 0.324 1.00 0.00 C ATOM 1996 O LEU A 122 114.818 16.763 -0.317 1.00 0.00 O ATOM 1997 CB LEU A 122 117.343 15.370 1.358 1.00 0.00 C ATOM 1998 CG LEU A 122 116.206 14.344 1.476 1.00 0.00 C ATOM 1999 CD1 LEU A 122 116.135 13.474 0.211 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.475 13.452 2.691 1.00 0.00 C ATOM 0 H LEU A 122 118.939 17.194 0.792 1.00 0.00 H new ATOM 0 HA LEU A 122 117.080 15.677 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.297 14.853 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.399 15.965 2.269 1.00 0.00 H new ATOM 0 HG LEU A 122 115.257 14.868 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.324 12.752 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.952 14.108 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 122 117.078 12.944 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.675 12.718 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.427 12.937 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.515 14.066 3.591 1.00 0.00 H new ATOM 2012 N GLN A 123 115.809 18.048 1.167 1.00 0.00 N ATOM 2013 CA GLN A 123 114.576 18.852 1.357 1.00 0.00 C ATOM 2014 C GLN A 123 114.205 19.472 0.015 1.00 0.00 C ATOM 2015 O GLN A 123 113.051 19.511 -0.366 1.00 0.00 O ATOM 2016 CB GLN A 123 114.836 19.951 2.392 1.00 0.00 C ATOM 2017 CG GLN A 123 114.979 19.322 3.781 1.00 0.00 C ATOM 2018 CD GLN A 123 113.627 18.767 4.240 1.00 0.00 C ATOM 2019 OE1 GLN A 123 113.575 17.805 4.980 1.00 0.00 O ATOM 2020 NE2 GLN A 123 112.522 19.335 3.835 1.00 0.00 N ATOM 0 H GLN A 123 116.609 18.337 1.730 1.00 0.00 H new ATOM 0 HA GLN A 123 113.760 18.224 1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.742 20.500 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 123 114.016 20.669 2.389 1.00 0.00 H new ATOM 0 HG2 GLN A 123 115.720 18.523 3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 123 115.338 20.066 4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 123 112.562 20.143 3.214 1.00 0.00 H new ATOM 0 HE22 GLN A 123 111.620 18.970 4.140 1.00 0.00 H new ATOM 2029 N ALA A 124 115.180 19.923 -0.723 1.00 0.00 N ATOM 2030 CA ALA A 124 114.882 20.500 -2.058 1.00 0.00 C ATOM 2031 C ALA A 124 114.214 19.406 -2.889 1.00 0.00 C ATOM 2032 O ALA A 124 113.305 19.651 -3.656 1.00 0.00 O ATOM 2033 CB ALA A 124 116.182 20.942 -2.735 1.00 0.00 C ATOM 0 H ALA A 124 116.165 19.916 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 124 114.230 21.369 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.957 21.365 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.675 21.695 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.841 20.082 -2.854 1.00 0.00 H new ATOM 2039 N ALA A 125 114.665 18.191 -2.721 1.00 0.00 N ATOM 2040 CA ALA A 125 114.073 17.054 -3.475 1.00 0.00 C ATOM 2041 C ALA A 125 112.630 16.840 -3.007 1.00 0.00 C ATOM 2042 O ALA A 125 111.726 16.683 -3.803 1.00 0.00 O ATOM 2043 CB ALA A 125 114.910 15.796 -3.204 1.00 0.00 C ATOM 0 H ALA A 125 115.424 17.939 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 125 114.071 17.264 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.487 14.953 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.936 15.964 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.902 15.577 -2.136 1.00 0.00 H new ATOM 2049 N ILE A 126 112.407 16.843 -1.720 1.00 0.00 N ATOM 2050 CA ILE A 126 111.022 16.650 -1.206 1.00 0.00 C ATOM 2051 C ILE A 126 110.190 17.892 -1.535 1.00 0.00 C ATOM 2052 O ILE A 126 109.054 17.798 -1.956 1.00 0.00 O ATOM 2053 CB ILE A 126 111.070 16.445 0.311 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.762 15.113 0.617 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.646 16.420 0.876 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.073 15.023 2.114 1.00 0.00 C ATOM 0 H ILE A 126 113.123 16.971 -1.005 1.00 0.00 H new ATOM 0 HA ILE A 126 110.570 15.775 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 126 111.624 17.264 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.122 14.283 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.682 15.029 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 126 109.685 16.274 1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.150 17.365 0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.088 15.603 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 126 112.565 14.074 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 126 112.730 15.845 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.145 15.086 2.683 1.00 0.00 H new