USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=22 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 111 CYS SG : rot 97:sc= -0.234 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.844 X(o=-1.1,f=-0.61) USER MOD Set 2.1: A 109 TYR OH : rot 180:sc= 0.789 USER MOD Set 2.2: A 113 LYS NZ :NH3+ -111:sc= 0.699 (180deg=-1.14) USER MOD Set 3.1: A 104 LYS NZ :NH3+ -140:sc= -6.72! (180deg=-11.1!) USER MOD Set 3.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 24 LYS NZ :NH3+ 155:sc= -0.0823 (180deg=-0.691) USER MOD Set 4.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 9 GLN : amide:sc= -7.09! C(o=-9.4!,f=-2.6!) USER MOD Set 5.2: A 12 GLN : amide:sc= -2.32 K(o=-9.4,f=-2.6) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.3) USER MOD Single : A 17 TYR OH : rot 140:sc= -0.0471 USER MOD Single : A 20 ASN : amide:sc= -4.86! K(o=-4.9!,f=-1.7) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 89:sc= 0.737 USER MOD Single : A 36 MET CE :methyl -118:sc= -1.65 (180deg=-9.38!) USER MOD Single : A 37 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.51) USER MOD Single : A 38 LYS NZ :NH3+ -130:sc= -2.16 (180deg=-4.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00647 USER MOD Single : A 44 ASN : amide:sc= -0.649 X(o=-0.65,f=-0.51) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.297 USER MOD Single : A 61 ASN : amide:sc= -3.56! C(o=-3.6!,f=-7.8!) USER MOD Single : A 74 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -0.0338 (180deg=-0.375) USER MOD Single : A 79 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.28) 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= -4.9! C(o=-4.9!,f=-5!) USER MOD Single : A 102 TYR OH : rot -10:sc= 0.498 USER MOD Single : A 103 MET CE :methyl 156:sc= -0.126 (180deg=-1.03) USER MOD Single : A 107 TYR OH : rot 30:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 90:sc= -2.81! USER MOD Single : A 118 THR OG1 : rot -81:sc= -2.47! USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.692 -12.522 14.978 1.00 0.00 N ATOM 79 CA GLU A 8 111.092 -13.188 13.782 1.00 0.00 C ATOM 80 C GLU A 8 111.752 -12.652 12.507 1.00 0.00 C ATOM 81 O GLU A 8 112.113 -13.401 11.618 1.00 0.00 O ATOM 82 CB GLU A 8 109.589 -12.886 13.744 1.00 0.00 C ATOM 83 CG GLU A 8 108.920 -13.695 12.627 1.00 0.00 C ATOM 84 CD GLU A 8 108.952 -15.183 12.983 1.00 0.00 C ATOM 85 OE1 GLU A 8 109.135 -15.490 14.149 1.00 0.00 O ATOM 86 OE2 GLU A 8 108.793 -15.990 12.081 1.00 0.00 O ATOM 0 HA GLU A 8 111.253 -14.264 13.843 1.00 0.00 H new ATOM 0 HB2 GLU A 8 109.136 -13.132 14.704 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.428 -11.821 13.579 1.00 0.00 H new ATOM 0 HG2 GLU A 8 107.890 -13.365 12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.436 -13.525 11.682 1.00 0.00 H new ATOM 93 N GLN A 9 111.917 -11.362 12.410 1.00 0.00 N ATOM 94 CA GLN A 9 112.553 -10.782 11.194 1.00 0.00 C ATOM 95 C GLN A 9 114.052 -11.119 11.205 1.00 0.00 C ATOM 96 O GLN A 9 114.717 -11.075 10.188 1.00 0.00 O ATOM 97 CB GLN A 9 112.339 -9.250 11.187 1.00 0.00 C ATOM 98 CG GLN A 9 111.165 -8.877 10.266 1.00 0.00 C ATOM 99 CD GLN A 9 109.955 -9.758 10.577 1.00 0.00 C ATOM 100 OE1 GLN A 9 109.133 -10.009 9.719 1.00 0.00 O ATOM 101 NE2 GLN A 9 109.808 -10.240 11.781 1.00 0.00 N ATOM 0 H GLN A 9 111.639 -10.684 13.120 1.00 0.00 H new ATOM 0 HA GLN A 9 112.102 -11.201 10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 9 112.141 -8.899 12.200 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.247 -8.751 10.849 1.00 0.00 H new ATOM 0 HG2 GLN A 9 110.905 -7.827 10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 9 111.457 -9.001 9.223 1.00 0.00 H new ATOM 0 HE21 GLN A 9 110.498 -10.030 12.502 1.00 0.00 H new ATOM 0 HE22 GLN A 9 109.003 -10.827 12.001 1.00 0.00 H new ATOM 110 N PHE A 10 114.586 -11.444 12.350 1.00 0.00 N ATOM 111 CA PHE A 10 116.039 -11.772 12.436 1.00 0.00 C ATOM 112 C PHE A 10 116.311 -13.070 11.660 1.00 0.00 C ATOM 113 O PHE A 10 117.145 -13.115 10.778 1.00 0.00 O ATOM 114 CB PHE A 10 116.397 -11.964 13.921 1.00 0.00 C ATOM 115 CG PHE A 10 117.834 -11.564 14.205 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.884 -12.100 13.448 1.00 0.00 C ATOM 117 CD2 PHE A 10 118.110 -10.640 15.226 1.00 0.00 C ATOM 118 CE1 PHE A 10 120.205 -11.717 13.711 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.432 -10.257 15.487 1.00 0.00 C ATOM 120 CZ PHE A 10 120.479 -10.797 14.730 1.00 0.00 C ATOM 0 H PHE A 10 114.078 -11.497 13.233 1.00 0.00 H new ATOM 0 HA PHE A 10 116.642 -10.971 12.007 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.724 -11.369 14.538 1.00 0.00 H new ATOM 0 HB3 PHE A 10 116.247 -13.007 14.200 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.674 -12.809 12.661 1.00 0.00 H new ATOM 0 HD2 PHE A 10 117.302 -10.224 15.810 1.00 0.00 H new ATOM 0 HE1 PHE A 10 121.013 -12.132 13.127 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.644 -9.546 16.272 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.498 -10.504 14.932 1.00 0.00 H new ATOM 130 N LYS A 11 115.615 -14.126 11.987 1.00 0.00 N ATOM 131 CA LYS A 11 115.838 -15.415 11.274 1.00 0.00 C ATOM 132 C LYS A 11 115.554 -15.250 9.782 1.00 0.00 C ATOM 133 O LYS A 11 116.177 -15.888 8.956 1.00 0.00 O ATOM 134 CB LYS A 11 114.937 -16.498 11.866 1.00 0.00 C ATOM 135 CG LYS A 11 113.497 -15.985 11.950 1.00 0.00 C ATOM 136 CD LYS A 11 112.592 -17.071 12.553 1.00 0.00 C ATOM 137 CE LYS A 11 112.789 -17.151 14.073 1.00 0.00 C ATOM 138 NZ LYS A 11 111.693 -17.959 14.673 1.00 0.00 N ATOM 0 H LYS A 11 114.903 -14.151 12.717 1.00 0.00 H new ATOM 0 HA LYS A 11 116.879 -15.713 11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 11 114.978 -17.395 11.249 1.00 0.00 H new ATOM 0 HB3 LYS A 11 115.292 -16.777 12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.457 -15.084 12.562 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.140 -15.711 10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 11 111.549 -16.851 12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.820 -18.036 12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 11 113.755 -17.601 14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.794 -16.149 14.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 111.826 -18.014 15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 110.778 -17.511 14.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.708 -18.918 14.271 1.00 0.00 H new ATOM 152 N GLN A 12 114.640 -14.396 9.415 1.00 0.00 N ATOM 153 CA GLN A 12 114.369 -14.218 7.963 1.00 0.00 C ATOM 154 C GLN A 12 115.659 -13.746 7.298 1.00 0.00 C ATOM 155 O GLN A 12 116.005 -14.168 6.223 1.00 0.00 O ATOM 156 CB GLN A 12 113.260 -13.186 7.746 1.00 0.00 C ATOM 157 CG GLN A 12 111.925 -13.771 8.215 1.00 0.00 C ATOM 158 CD GLN A 12 110.810 -12.746 8.001 1.00 0.00 C ATOM 159 OE1 GLN A 12 109.645 -13.090 7.990 1.00 0.00 O ATOM 160 NE2 GLN A 12 111.121 -11.491 7.829 1.00 0.00 N ATOM 0 H GLN A 12 114.078 -13.823 10.045 1.00 0.00 H new ATOM 0 HA GLN A 12 114.038 -15.161 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.484 -12.273 8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.201 -12.915 6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.703 -14.685 7.663 1.00 0.00 H new ATOM 0 HG3 GLN A 12 111.986 -14.042 9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 12 112.099 -11.202 7.838 1.00 0.00 H new ATOM 0 HE22 GLN A 12 110.386 -10.799 7.685 1.00 0.00 H new ATOM 169 N VAL A 13 116.391 -12.887 7.939 1.00 0.00 N ATOM 170 CA VAL A 13 117.667 -12.416 7.340 1.00 0.00 C ATOM 171 C VAL A 13 118.585 -13.621 7.125 1.00 0.00 C ATOM 172 O VAL A 13 119.303 -13.701 6.152 1.00 0.00 O ATOM 173 CB VAL A 13 118.336 -11.409 8.280 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.748 -11.087 7.783 1.00 0.00 C ATOM 175 CG2 VAL A 13 117.502 -10.128 8.325 1.00 0.00 C ATOM 0 H VAL A 13 116.163 -12.490 8.851 1.00 0.00 H new ATOM 0 HA VAL A 13 117.473 -11.929 6.385 1.00 0.00 H new ATOM 0 HB VAL A 13 118.402 -11.838 9.280 1.00 0.00 H new ATOM 0 HG11 VAL A 13 120.216 -10.370 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.341 -12.001 7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 13 119.693 -10.660 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 13 117.975 -9.409 8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 13 117.434 -9.703 7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 13 116.501 -10.358 8.690 1.00 0.00 H new ATOM 185 N ARG A 14 118.581 -14.561 8.024 1.00 0.00 N ATOM 186 CA ARG A 14 119.468 -15.742 7.843 1.00 0.00 C ATOM 187 C ARG A 14 119.149 -16.418 6.506 1.00 0.00 C ATOM 188 O ARG A 14 120.039 -16.855 5.803 1.00 0.00 O ATOM 189 CB ARG A 14 119.246 -16.736 8.993 1.00 0.00 C ATOM 190 CG ARG A 14 120.325 -17.836 8.969 1.00 0.00 C ATOM 191 CD ARG A 14 121.611 -17.337 9.649 1.00 0.00 C ATOM 192 NE ARG A 14 122.580 -18.463 9.777 1.00 0.00 N ATOM 193 CZ ARG A 14 123.791 -18.233 10.210 1.00 0.00 C ATOM 194 NH1 ARG A 14 124.243 -17.010 10.258 1.00 0.00 N ATOM 195 NH2 ARG A 14 124.550 -19.224 10.593 1.00 0.00 N ATOM 0 H ARG A 14 118.009 -14.565 8.868 1.00 0.00 H new ATOM 0 HA ARG A 14 120.509 -15.419 7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.275 -16.210 9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.257 -17.186 8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 14 119.958 -18.726 9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 14 120.538 -18.124 7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 14 122.052 -16.529 9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 14 121.379 -16.930 10.633 1.00 0.00 H new ATOM 0 HE ARG A 14 122.298 -19.411 9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 14 123.651 -16.235 9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 14 125.188 -16.829 10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 14 124.198 -20.181 10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 14 125.495 -19.042 10.931 1.00 0.00 H new ATOM 209 N GLN A 15 117.896 -16.519 6.137 1.00 0.00 N ATOM 210 CA GLN A 15 117.573 -17.175 4.842 1.00 0.00 C ATOM 211 C GLN A 15 118.181 -16.358 3.683 1.00 0.00 C ATOM 212 O GLN A 15 118.533 -16.906 2.657 1.00 0.00 O ATOM 213 CB GLN A 15 116.043 -17.350 4.700 1.00 0.00 C ATOM 214 CG GLN A 15 115.380 -16.108 4.073 1.00 0.00 C ATOM 215 CD GLN A 15 113.962 -15.930 4.636 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.602 -14.856 5.075 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.141 -16.945 4.638 1.00 0.00 N ATOM 0 H GLN A 15 117.096 -16.179 6.671 1.00 0.00 H new ATOM 0 HA GLN A 15 118.013 -18.172 4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 15 115.833 -18.224 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.606 -17.539 5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.978 -15.221 4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.339 -16.215 2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.444 -17.847 4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.197 -16.836 5.008 1.00 0.00 H new ATOM 226 N LEU A 16 118.320 -15.054 3.832 1.00 0.00 N ATOM 227 CA LEU A 16 118.920 -14.253 2.714 1.00 0.00 C ATOM 228 C LEU A 16 120.356 -14.743 2.471 1.00 0.00 C ATOM 229 O LEU A 16 120.746 -15.001 1.350 1.00 0.00 O ATOM 230 CB LEU A 16 118.941 -12.748 3.075 1.00 0.00 C ATOM 231 CG LEU A 16 117.649 -12.060 2.613 1.00 0.00 C ATOM 232 CD1 LEU A 16 116.433 -12.750 3.237 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.680 -10.590 3.044 1.00 0.00 C ATOM 0 H LEU A 16 118.050 -14.523 4.660 1.00 0.00 H new ATOM 0 HA LEU A 16 118.319 -14.384 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.057 -12.629 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.801 -12.269 2.607 1.00 0.00 H new ATOM 0 HG LEU A 16 117.575 -12.126 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 16 115.522 -12.254 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 16 116.411 -13.796 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 16 116.500 -12.692 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.765 -10.096 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.758 -10.531 4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 16 118.540 -10.096 2.591 1.00 0.00 H new ATOM 245 N TYR A 17 121.140 -14.890 3.506 1.00 0.00 N ATOM 246 CA TYR A 17 122.535 -15.384 3.309 1.00 0.00 C ATOM 247 C TYR A 17 122.469 -16.771 2.663 1.00 0.00 C ATOM 248 O TYR A 17 123.256 -17.111 1.801 1.00 0.00 O ATOM 249 CB TYR A 17 123.248 -15.498 4.664 1.00 0.00 C ATOM 250 CG TYR A 17 123.741 -14.146 5.129 1.00 0.00 C ATOM 251 CD1 TYR A 17 122.919 -13.328 5.915 1.00 0.00 C ATOM 252 CD2 TYR A 17 125.036 -13.721 4.795 1.00 0.00 C ATOM 253 CE1 TYR A 17 123.392 -12.089 6.368 1.00 0.00 C ATOM 254 CE2 TYR A 17 125.504 -12.482 5.244 1.00 0.00 C ATOM 255 CZ TYR A 17 124.685 -11.667 6.031 1.00 0.00 C ATOM 256 OH TYR A 17 125.157 -10.451 6.485 1.00 0.00 O ATOM 0 H TYR A 17 120.878 -14.691 4.472 1.00 0.00 H new ATOM 0 HA TYR A 17 123.085 -14.689 2.674 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.566 -15.915 5.405 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.088 -16.187 4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 17 121.921 -13.652 6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 17 125.672 -14.351 4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 17 122.760 -11.459 6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 17 126.499 -12.154 4.982 1.00 0.00 H new ATOM 0 HH TYR A 17 126.098 -10.541 6.743 1.00 0.00 H new ATOM 266 N GLU A 18 121.537 -17.576 3.094 1.00 0.00 N ATOM 267 CA GLU A 18 121.408 -18.956 2.534 1.00 0.00 C ATOM 268 C GLU A 18 121.105 -18.900 1.032 1.00 0.00 C ATOM 269 O GLU A 18 121.318 -19.861 0.318 1.00 0.00 O ATOM 270 CB GLU A 18 120.268 -19.690 3.238 1.00 0.00 C ATOM 271 CG GLU A 18 120.655 -19.962 4.693 1.00 0.00 C ATOM 272 CD GLU A 18 119.512 -20.697 5.395 1.00 0.00 C ATOM 273 OE1 GLU A 18 118.491 -20.906 4.761 1.00 0.00 O ATOM 274 OE2 GLU A 18 119.677 -21.040 6.554 1.00 0.00 O ATOM 0 H GLU A 18 120.855 -17.338 3.814 1.00 0.00 H new ATOM 0 HA GLU A 18 122.349 -19.482 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.358 -19.092 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.055 -20.628 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.565 -20.560 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 18 120.868 -19.024 5.206 1.00 0.00 H new ATOM 281 N ILE A 19 120.603 -17.800 0.538 1.00 0.00 N ATOM 282 CA ILE A 19 120.290 -17.731 -0.919 1.00 0.00 C ATOM 283 C ILE A 19 121.530 -18.159 -1.710 1.00 0.00 C ATOM 284 O ILE A 19 121.434 -18.871 -2.690 1.00 0.00 O ATOM 285 CB ILE A 19 119.885 -16.299 -1.295 1.00 0.00 C ATOM 286 CG1 ILE A 19 118.515 -15.983 -0.682 1.00 0.00 C ATOM 287 CG2 ILE A 19 119.798 -16.172 -2.818 1.00 0.00 C ATOM 288 CD1 ILE A 19 118.222 -14.486 -0.819 1.00 0.00 C ATOM 0 H ILE A 19 120.398 -16.956 1.072 1.00 0.00 H new ATOM 0 HA ILE A 19 119.461 -18.398 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 19 120.630 -15.600 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 19 117.739 -16.563 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 19 118.501 -16.272 0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 19 119.510 -15.154 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 19 120.769 -16.401 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.053 -16.870 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 19 117.248 -14.264 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 19 118.991 -13.916 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 19 118.218 -14.211 -1.874 1.00 0.00 H new ATOM 300 N ASN A 20 122.694 -17.751 -1.285 1.00 0.00 N ATOM 301 CA ASN A 20 123.931 -18.157 -2.001 1.00 0.00 C ATOM 302 C ASN A 20 125.147 -17.715 -1.189 1.00 0.00 C ATOM 303 O ASN A 20 125.086 -16.770 -0.429 1.00 0.00 O ATOM 304 CB ASN A 20 123.964 -17.505 -3.386 1.00 0.00 C ATOM 305 CG ASN A 20 123.729 -16.001 -3.254 1.00 0.00 C ATOM 306 OD1 ASN A 20 123.420 -15.336 -4.224 1.00 0.00 O ATOM 307 ND2 ASN A 20 123.862 -15.429 -2.090 1.00 0.00 N ATOM 0 H ASN A 20 122.840 -17.153 -0.471 1.00 0.00 H new ATOM 0 HA ASN A 20 123.947 -19.240 -2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 20 124.926 -17.692 -3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 20 123.200 -17.947 -4.025 1.00 0.00 H new ATOM 0 HD21 ASN A 20 123.707 -14.425 -1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.121 -15.985 -1.275 1.00 0.00 H new ATOM 314 N ASP A 21 126.253 -18.385 -1.345 1.00 0.00 N ATOM 315 CA ASP A 21 127.475 -18.001 -0.584 1.00 0.00 C ATOM 316 C ASP A 21 128.278 -17.018 -1.429 1.00 0.00 C ATOM 317 O ASP A 21 129.488 -16.950 -1.348 1.00 0.00 O ATOM 318 CB ASP A 21 128.320 -19.245 -0.305 1.00 0.00 C ATOM 319 CG ASP A 21 128.757 -19.876 -1.629 1.00 0.00 C ATOM 320 OD1 ASP A 21 128.129 -19.592 -2.634 1.00 0.00 O ATOM 321 OD2 ASP A 21 129.715 -20.630 -1.613 1.00 0.00 O ATOM 0 H ASP A 21 126.365 -19.185 -1.968 1.00 0.00 H new ATOM 0 HA ASP A 21 127.197 -17.543 0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 21 129.194 -18.977 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 21 127.746 -19.963 0.280 1.00 0.00 H new ATOM 326 N ASP A 22 127.605 -16.264 -2.254 1.00 0.00 N ATOM 327 CA ASP A 22 128.322 -15.293 -3.124 1.00 0.00 C ATOM 328 C ASP A 22 129.152 -14.339 -2.229 1.00 0.00 C ATOM 329 O ASP A 22 128.619 -13.778 -1.292 1.00 0.00 O ATOM 330 CB ASP A 22 127.286 -14.491 -3.926 1.00 0.00 C ATOM 331 CG ASP A 22 127.918 -13.954 -5.214 1.00 0.00 C ATOM 332 OD1 ASP A 22 128.722 -14.661 -5.799 1.00 0.00 O ATOM 333 OD2 ASP A 22 127.580 -12.851 -5.596 1.00 0.00 O ATOM 0 H ASP A 22 126.591 -16.279 -2.362 1.00 0.00 H new ATOM 0 HA ASP A 22 128.988 -15.814 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.432 -15.124 -4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 22 126.910 -13.664 -3.324 1.00 0.00 H new ATOM 338 N PRO A 23 130.440 -14.147 -2.480 1.00 0.00 N ATOM 339 CA PRO A 23 131.247 -13.240 -1.612 1.00 0.00 C ATOM 340 C PRO A 23 130.695 -11.803 -1.540 1.00 0.00 C ATOM 341 O PRO A 23 130.617 -11.221 -0.475 1.00 0.00 O ATOM 342 CB PRO A 23 132.642 -13.267 -2.277 1.00 0.00 C ATOM 343 CG PRO A 23 132.584 -14.189 -3.512 1.00 0.00 C ATOM 344 CD PRO A 23 131.175 -14.800 -3.606 1.00 0.00 C ATOM 0 HA PRO A 23 131.243 -13.571 -0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 23 132.940 -12.260 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.390 -13.628 -1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 23 132.812 -13.624 -4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.333 -14.977 -3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 23 130.708 -14.588 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.199 -15.884 -3.496 1.00 0.00 H new ATOM 352 N LYS A 24 130.355 -11.207 -2.653 1.00 0.00 N ATOM 353 CA LYS A 24 129.864 -9.798 -2.604 1.00 0.00 C ATOM 354 C LYS A 24 128.549 -9.699 -1.820 1.00 0.00 C ATOM 355 O LYS A 24 128.393 -8.830 -0.985 1.00 0.00 O ATOM 356 CB LYS A 24 129.673 -9.252 -4.025 1.00 0.00 C ATOM 357 CG LYS A 24 128.446 -9.882 -4.688 1.00 0.00 C ATOM 358 CD LYS A 24 128.432 -9.505 -6.172 1.00 0.00 C ATOM 359 CE LYS A 24 127.073 -9.850 -6.786 1.00 0.00 C ATOM 360 NZ LYS A 24 126.021 -8.977 -6.194 1.00 0.00 N ATOM 0 H LYS A 24 130.395 -11.628 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 24 130.614 -9.197 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 24 129.558 -8.169 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 24 130.561 -9.459 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 24 128.472 -10.966 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 24 127.535 -9.533 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 24 128.633 -8.440 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 24 129.224 -10.037 -6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 24 127.106 -9.715 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 24 126.835 -10.898 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 125.226 -8.892 -6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 125.684 -9.395 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 126.418 -8.034 -6.006 1.00 0.00 H new ATOM 374 N ARG A 25 127.597 -10.562 -2.066 1.00 0.00 N ATOM 375 CA ARG A 25 126.317 -10.462 -1.305 1.00 0.00 C ATOM 376 C ARG A 25 126.583 -10.786 0.163 1.00 0.00 C ATOM 377 O ARG A 25 126.123 -10.097 1.052 1.00 0.00 O ATOM 378 CB ARG A 25 125.277 -11.424 -1.884 1.00 0.00 C ATOM 379 CG ARG A 25 123.941 -11.243 -1.144 1.00 0.00 C ATOM 380 CD ARG A 25 122.799 -11.871 -1.953 1.00 0.00 C ATOM 381 NE ARG A 25 121.490 -11.423 -1.392 1.00 0.00 N ATOM 382 CZ ARG A 25 120.952 -12.060 -0.388 1.00 0.00 C ATOM 383 NH1 ARG A 25 121.583 -13.060 0.165 1.00 0.00 N ATOM 384 NH2 ARG A 25 119.783 -11.695 0.063 1.00 0.00 N ATOM 0 H ARG A 25 127.648 -11.319 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 25 125.924 -9.449 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.143 -11.234 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 25 125.623 -12.453 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 25 123.997 -11.707 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.745 -10.182 -0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 25 122.877 -11.580 -3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.869 -12.958 -1.919 1.00 0.00 H new ATOM 0 HE ARG A 25 121.014 -10.616 -1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 25 122.497 -13.344 -0.188 1.00 0.00 H new ATOM 0 HH12 ARG A 25 121.162 -13.557 0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 25 119.291 -10.913 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 25 119.361 -12.192 0.848 1.00 0.00 H new ATOM 398 N LYS A 26 127.342 -11.812 0.429 1.00 0.00 N ATOM 399 CA LYS A 26 127.651 -12.148 1.843 1.00 0.00 C ATOM 400 C LYS A 26 128.367 -10.960 2.482 1.00 0.00 C ATOM 401 O LYS A 26 128.008 -10.505 3.550 1.00 0.00 O ATOM 402 CB LYS A 26 128.557 -13.384 1.892 1.00 0.00 C ATOM 403 CG LYS A 26 128.923 -13.695 3.351 1.00 0.00 C ATOM 404 CD LYS A 26 129.687 -15.031 3.440 1.00 0.00 C ATOM 405 CE LYS A 26 128.700 -16.202 3.519 1.00 0.00 C ATOM 406 NZ LYS A 26 129.457 -17.481 3.615 1.00 0.00 N ATOM 0 H LYS A 26 127.759 -12.428 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 26 126.730 -12.362 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.049 -14.238 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.461 -13.208 1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.535 -12.891 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.018 -13.745 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 26 130.332 -15.148 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.333 -15.031 4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 26 128.049 -16.086 4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 26 128.059 -16.211 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 128.789 -18.276 3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 130.060 -17.591 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 130.051 -17.470 4.469 1.00 0.00 H new ATOM 420 N GLU A 27 129.381 -10.456 1.833 1.00 0.00 N ATOM 421 CA GLU A 27 130.124 -9.297 2.398 1.00 0.00 C ATOM 422 C GLU A 27 129.214 -8.066 2.443 1.00 0.00 C ATOM 423 O GLU A 27 129.233 -7.310 3.394 1.00 0.00 O ATOM 424 CB GLU A 27 131.344 -8.999 1.522 1.00 0.00 C ATOM 425 CG GLU A 27 132.374 -10.119 1.686 1.00 0.00 C ATOM 426 CD GLU A 27 133.517 -9.910 0.693 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.519 -8.887 0.027 1.00 0.00 O ATOM 428 OE2 GLU A 27 134.376 -10.774 0.617 1.00 0.00 O ATOM 0 H GLU A 27 129.726 -10.798 0.936 1.00 0.00 H new ATOM 0 HA GLU A 27 130.450 -9.538 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.044 -8.916 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.783 -8.042 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 27 132.760 -10.126 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 27 131.904 -11.088 1.517 1.00 0.00 H new ATOM 435 N PHE A 28 128.416 -7.848 1.426 1.00 0.00 N ATOM 436 CA PHE A 28 127.520 -6.658 1.442 1.00 0.00 C ATOM 437 C PHE A 28 126.578 -6.736 2.647 1.00 0.00 C ATOM 438 O PHE A 28 126.443 -5.792 3.401 1.00 0.00 O ATOM 439 CB PHE A 28 126.691 -6.609 0.152 1.00 0.00 C ATOM 440 CG PHE A 28 125.634 -5.537 0.290 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.421 -5.846 0.914 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.874 -4.238 -0.171 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.445 -4.862 1.074 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.896 -3.248 -0.004 1.00 0.00 C ATOM 445 CZ PHE A 28 123.681 -3.562 0.618 1.00 0.00 C ATOM 0 H PHE A 28 128.349 -8.437 0.596 1.00 0.00 H new ATOM 0 HA PHE A 28 128.130 -5.757 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.334 -6.396 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.225 -7.577 -0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.240 -6.848 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.810 -3.999 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.507 -5.105 1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 28 125.079 -2.243 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.927 -2.800 0.745 1.00 0.00 H new ATOM 455 N LEU A 29 125.920 -7.849 2.834 1.00 0.00 N ATOM 456 CA LEU A 29 124.991 -7.964 3.989 1.00 0.00 C ATOM 457 C LEU A 29 125.793 -7.759 5.272 1.00 0.00 C ATOM 458 O LEU A 29 125.382 -7.064 6.175 1.00 0.00 O ATOM 459 CB LEU A 29 124.339 -9.353 3.997 1.00 0.00 C ATOM 460 CG LEU A 29 123.391 -9.508 2.791 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.163 -10.994 2.506 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.032 -8.853 3.087 1.00 0.00 C ATOM 0 H LEU A 29 125.986 -8.676 2.241 1.00 0.00 H new ATOM 0 HA LEU A 29 124.205 -7.212 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.109 -10.124 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.785 -9.496 4.924 1.00 0.00 H new ATOM 0 HG LEU A 29 123.848 -9.022 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.493 -11.102 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.117 -11.472 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.717 -11.468 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.375 -8.972 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.580 -9.330 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.176 -7.792 3.290 1.00 0.00 H new ATOM 474 N ASP A 30 126.951 -8.343 5.356 1.00 0.00 N ATOM 475 CA ASP A 30 127.772 -8.155 6.578 1.00 0.00 C ATOM 476 C ASP A 30 128.076 -6.665 6.754 1.00 0.00 C ATOM 477 O ASP A 30 128.065 -6.147 7.850 1.00 0.00 O ATOM 478 CB ASP A 30 129.084 -8.931 6.438 1.00 0.00 C ATOM 479 CG ASP A 30 128.800 -10.433 6.503 1.00 0.00 C ATOM 480 OD1 ASP A 30 127.873 -10.810 7.200 1.00 0.00 O ATOM 481 OD2 ASP A 30 129.517 -11.181 5.859 1.00 0.00 O ATOM 0 H ASP A 30 127.362 -8.938 4.637 1.00 0.00 H new ATOM 0 HA ASP A 30 127.226 -8.524 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 30 129.567 -8.682 5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.774 -8.646 7.233 1.00 0.00 H new ATOM 486 N ASP A 31 128.359 -5.973 5.683 1.00 0.00 N ATOM 487 CA ASP A 31 128.680 -4.520 5.798 1.00 0.00 C ATOM 488 C ASP A 31 127.419 -3.696 6.105 1.00 0.00 C ATOM 489 O ASP A 31 127.404 -2.902 7.024 1.00 0.00 O ATOM 490 CB ASP A 31 129.290 -4.040 4.481 1.00 0.00 C ATOM 491 CG ASP A 31 130.686 -4.646 4.318 1.00 0.00 C ATOM 492 OD1 ASP A 31 131.245 -5.074 5.315 1.00 0.00 O ATOM 493 OD2 ASP A 31 131.168 -4.680 3.199 1.00 0.00 O ATOM 0 H ASP A 31 128.382 -6.350 4.735 1.00 0.00 H new ATOM 0 HA ASP A 31 129.386 -4.383 6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 31 128.655 -4.332 3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 31 129.350 -2.952 4.470 1.00 0.00 H new ATOM 498 N LEU A 32 126.367 -3.859 5.345 1.00 0.00 N ATOM 499 CA LEU A 32 125.131 -3.060 5.614 1.00 0.00 C ATOM 500 C LEU A 32 124.610 -3.351 7.022 1.00 0.00 C ATOM 501 O LEU A 32 124.415 -2.452 7.817 1.00 0.00 O ATOM 502 CB LEU A 32 124.059 -3.399 4.560 1.00 0.00 C ATOM 503 CG LEU A 32 122.688 -2.836 4.972 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.797 -1.342 5.268 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.703 -3.039 3.824 1.00 0.00 C ATOM 0 H LEU A 32 126.308 -4.504 4.557 1.00 0.00 H new ATOM 0 HA LEU A 32 125.367 -1.998 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.350 -2.987 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.991 -4.480 4.439 1.00 0.00 H new ATOM 0 HG LEU A 32 122.344 -3.355 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.820 -0.956 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.506 -1.183 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.143 -0.819 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.728 -2.643 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.064 -2.516 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.613 -4.103 3.606 1.00 0.00 H new ATOM 517 N PHE A 33 124.385 -4.589 7.348 1.00 0.00 N ATOM 518 CA PHE A 33 123.878 -4.896 8.711 1.00 0.00 C ATOM 519 C PHE A 33 124.893 -4.397 9.741 1.00 0.00 C ATOM 520 O PHE A 33 124.537 -3.968 10.816 1.00 0.00 O ATOM 521 CB PHE A 33 123.634 -6.400 8.863 1.00 0.00 C ATOM 522 CG PHE A 33 122.317 -6.757 8.201 1.00 0.00 C ATOM 523 CD1 PHE A 33 122.254 -6.873 6.808 1.00 0.00 C ATOM 524 CD2 PHE A 33 121.162 -6.974 8.973 1.00 0.00 C ATOM 525 CE1 PHE A 33 121.052 -7.207 6.184 1.00 0.00 C ATOM 526 CE2 PHE A 33 119.957 -7.305 8.337 1.00 0.00 C ATOM 527 CZ PHE A 33 119.906 -7.424 6.943 1.00 0.00 C ATOM 0 H PHE A 33 124.528 -5.394 6.738 1.00 0.00 H new ATOM 0 HA PHE A 33 122.926 -4.390 8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.449 -6.961 8.406 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.611 -6.673 9.918 1.00 0.00 H new ATOM 0 HD1 PHE A 33 123.140 -6.703 6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 33 121.203 -6.886 10.049 1.00 0.00 H new ATOM 0 HE1 PHE A 33 121.011 -7.297 5.109 1.00 0.00 H new ATOM 0 HE2 PHE A 33 119.066 -7.469 8.924 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.977 -7.684 6.457 1.00 0.00 H new ATOM 537 N SER A 34 126.160 -4.445 9.427 1.00 0.00 N ATOM 538 CA SER A 34 127.174 -3.953 10.400 1.00 0.00 C ATOM 539 C SER A 34 126.943 -2.459 10.678 1.00 0.00 C ATOM 540 O SER A 34 126.959 -2.022 11.811 1.00 0.00 O ATOM 541 CB SER A 34 128.583 -4.155 9.835 1.00 0.00 C ATOM 542 OG SER A 34 128.934 -5.529 9.930 1.00 0.00 O ATOM 0 H SER A 34 126.533 -4.800 8.547 1.00 0.00 H new ATOM 0 HA SER A 34 127.076 -4.515 11.329 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.621 -3.829 8.796 1.00 0.00 H new ATOM 0 HB3 SER A 34 129.299 -3.546 10.386 1.00 0.00 H new ATOM 0 HG SER A 34 128.644 -5.998 9.120 1.00 0.00 H new ATOM 548 N PHE A 35 126.745 -1.665 9.653 1.00 0.00 N ATOM 549 CA PHE A 35 126.533 -0.200 9.877 1.00 0.00 C ATOM 550 C PHE A 35 125.298 0.043 10.755 1.00 0.00 C ATOM 551 O PHE A 35 125.383 0.651 11.802 1.00 0.00 O ATOM 552 CB PHE A 35 126.336 0.508 8.537 1.00 0.00 C ATOM 553 CG PHE A 35 126.285 1.999 8.776 1.00 0.00 C ATOM 554 CD1 PHE A 35 125.071 2.613 9.105 1.00 0.00 C ATOM 555 CD2 PHE A 35 127.454 2.764 8.684 1.00 0.00 C ATOM 556 CE1 PHE A 35 125.026 3.993 9.338 1.00 0.00 C ATOM 557 CE2 PHE A 35 127.410 4.143 8.918 1.00 0.00 C ATOM 558 CZ PHE A 35 126.196 4.758 9.246 1.00 0.00 C ATOM 0 H PHE A 35 126.721 -1.965 8.678 1.00 0.00 H new ATOM 0 HA PHE A 35 127.414 0.197 10.382 1.00 0.00 H new ATOM 0 HB2 PHE A 35 127.152 0.263 7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.414 0.170 8.064 1.00 0.00 H new ATOM 0 HD1 PHE A 35 124.170 2.023 9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 35 128.391 2.289 8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 35 124.089 4.468 9.589 1.00 0.00 H new ATOM 0 HE2 PHE A 35 128.312 4.732 8.846 1.00 0.00 H new ATOM 0 HZ PHE A 35 126.161 5.822 9.428 1.00 0.00 H new ATOM 568 N MET A 36 124.148 -0.421 10.334 1.00 0.00 N ATOM 569 CA MET A 36 122.912 -0.201 11.150 1.00 0.00 C ATOM 570 C MET A 36 123.037 -0.930 12.493 1.00 0.00 C ATOM 571 O MET A 36 122.260 -0.715 13.401 1.00 0.00 O ATOM 572 CB MET A 36 121.687 -0.735 10.395 1.00 0.00 C ATOM 573 CG MET A 36 121.983 -2.138 9.815 1.00 0.00 C ATOM 574 SD MET A 36 120.699 -3.313 10.332 1.00 0.00 S ATOM 575 CE MET A 36 119.311 -2.589 9.421 1.00 0.00 C ATOM 0 H MET A 36 124.011 -0.939 9.466 1.00 0.00 H new ATOM 0 HA MET A 36 122.792 0.868 11.327 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.831 -0.785 11.067 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.421 -0.050 9.590 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.024 -2.089 8.727 1.00 0.00 H new ATOM 0 HG3 MET A 36 122.960 -2.482 10.156 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.546 -2.260 10.124 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.662 -1.735 8.841 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.889 -3.335 8.748 1.00 0.00 H new ATOM 585 N GLN A 37 124.002 -1.794 12.619 1.00 0.00 N ATOM 586 CA GLN A 37 124.172 -2.546 13.899 1.00 0.00 C ATOM 587 C GLN A 37 124.246 -1.554 15.060 1.00 0.00 C ATOM 588 O GLN A 37 124.133 -1.926 16.211 1.00 0.00 O ATOM 589 CB GLN A 37 125.470 -3.366 13.850 1.00 0.00 C ATOM 590 CG GLN A 37 125.497 -4.401 14.983 1.00 0.00 C ATOM 591 CD GLN A 37 124.407 -5.452 14.754 1.00 0.00 C ATOM 592 OE1 GLN A 37 124.322 -6.033 13.690 1.00 0.00 O ATOM 593 NE2 GLN A 37 123.569 -5.726 15.715 1.00 0.00 N ATOM 0 H GLN A 37 124.683 -2.015 11.893 1.00 0.00 H new ATOM 0 HA GLN A 37 123.325 -3.218 14.039 1.00 0.00 H new ATOM 0 HB2 GLN A 37 125.552 -3.870 12.887 1.00 0.00 H new ATOM 0 HB3 GLN A 37 126.330 -2.702 13.936 1.00 0.00 H new ATOM 0 HG2 GLN A 37 126.475 -4.881 15.025 1.00 0.00 H new ATOM 0 HG3 GLN A 37 125.343 -3.907 15.942 1.00 0.00 H new ATOM 0 HE21 GLN A 37 123.640 -5.239 16.608 1.00 0.00 H new ATOM 0 HE22 GLN A 37 122.842 -6.428 15.573 1.00 0.00 H new ATOM 602 N LYS A 38 124.422 -0.290 14.780 1.00 0.00 N ATOM 603 CA LYS A 38 124.489 0.699 15.892 1.00 0.00 C ATOM 604 C LYS A 38 123.243 0.532 16.761 1.00 0.00 C ATOM 605 O LYS A 38 123.337 0.388 17.964 1.00 0.00 O ATOM 606 CB LYS A 38 124.548 2.121 15.327 1.00 0.00 C ATOM 607 CG LYS A 38 124.544 3.126 16.482 1.00 0.00 C ATOM 608 CD LYS A 38 124.980 4.503 15.971 1.00 0.00 C ATOM 609 CE LYS A 38 124.023 4.984 14.875 1.00 0.00 C ATOM 610 NZ LYS A 38 124.406 4.358 13.578 1.00 0.00 N ATOM 0 H LYS A 38 124.521 0.096 13.841 1.00 0.00 H new ATOM 0 HA LYS A 38 125.385 0.529 16.488 1.00 0.00 H new ATOM 0 HB2 LYS A 38 125.447 2.247 14.723 1.00 0.00 H new ATOM 0 HB3 LYS A 38 123.696 2.300 14.672 1.00 0.00 H new ATOM 0 HG2 LYS A 38 123.547 3.189 16.919 1.00 0.00 H new ATOM 0 HG3 LYS A 38 125.217 2.790 17.271 1.00 0.00 H new ATOM 0 HD2 LYS A 38 124.992 5.218 16.794 1.00 0.00 H new ATOM 0 HD3 LYS A 38 125.996 4.450 15.580 1.00 0.00 H new ATOM 0 HE2 LYS A 38 122.997 4.720 15.131 1.00 0.00 H new ATOM 0 HE3 LYS A 38 124.062 6.070 14.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 124.478 5.093 12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 125.324 3.880 13.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 123.683 3.663 13.301 1.00 0.00 H new ATOM 624 N ARG A 39 122.080 0.505 16.170 1.00 0.00 N ATOM 625 CA ARG A 39 120.859 0.292 16.992 1.00 0.00 C ATOM 626 C ARG A 39 120.903 -1.142 17.518 1.00 0.00 C ATOM 627 O ARG A 39 120.522 -1.416 18.638 1.00 0.00 O ATOM 628 CB ARG A 39 119.600 0.534 16.158 1.00 0.00 C ATOM 629 CG ARG A 39 119.487 2.029 15.853 1.00 0.00 C ATOM 630 CD ARG A 39 118.215 2.300 15.049 1.00 0.00 C ATOM 631 NE ARG A 39 118.212 3.725 14.595 1.00 0.00 N ATOM 632 CZ ARG A 39 117.365 4.584 15.102 1.00 0.00 C ATOM 633 NH1 ARG A 39 117.153 4.610 16.389 1.00 0.00 N ATOM 634 NH2 ARG A 39 116.733 5.413 14.319 1.00 0.00 N ATOM 0 H ARG A 39 121.924 0.619 15.168 1.00 0.00 H new ATOM 0 HA ARG A 39 120.830 0.995 17.824 1.00 0.00 H new ATOM 0 HB2 ARG A 39 119.646 -0.037 15.231 1.00 0.00 H new ATOM 0 HB3 ARG A 39 118.718 0.192 16.699 1.00 0.00 H new ATOM 0 HG2 ARG A 39 119.469 2.598 16.782 1.00 0.00 H new ATOM 0 HG3 ARG A 39 120.360 2.362 15.292 1.00 0.00 H new ATOM 0 HD2 ARG A 39 118.165 1.632 14.189 1.00 0.00 H new ATOM 0 HD3 ARG A 39 117.335 2.099 15.660 1.00 0.00 H new ATOM 0 HE ARG A 39 118.876 4.030 13.884 1.00 0.00 H new ATOM 0 HH11 ARG A 39 117.648 3.961 17.001 1.00 0.00 H new ATOM 0 HH12 ARG A 39 116.493 5.280 16.784 1.00 0.00 H new ATOM 0 HH21 ARG A 39 116.899 5.391 13.313 1.00 0.00 H new ATOM 0 HH22 ARG A 39 116.072 6.083 14.713 1.00 0.00 H new ATOM 648 N GLY A 40 121.413 -2.054 16.723 1.00 0.00 N ATOM 649 CA GLY A 40 121.545 -3.475 17.174 1.00 0.00 C ATOM 650 C GLY A 40 120.451 -4.369 16.583 1.00 0.00 C ATOM 651 O GLY A 40 120.483 -5.570 16.771 1.00 0.00 O ATOM 0 H GLY A 40 121.745 -1.873 15.776 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.523 -3.858 16.883 1.00 0.00 H new ATOM 0 HA3 GLY A 40 121.498 -3.516 18.262 1.00 0.00 H new ATOM 655 N THR A 41 119.482 -3.821 15.881 1.00 0.00 N ATOM 656 CA THR A 41 118.390 -4.683 15.301 1.00 0.00 C ATOM 657 C THR A 41 118.501 -4.736 13.763 1.00 0.00 C ATOM 658 O THR A 41 118.961 -3.797 13.145 1.00 0.00 O ATOM 659 CB THR A 41 117.020 -4.103 15.695 1.00 0.00 C ATOM 660 OG1 THR A 41 117.080 -2.684 15.658 1.00 0.00 O ATOM 661 CG2 THR A 41 116.647 -4.560 17.109 1.00 0.00 C ATOM 0 H THR A 41 119.398 -2.824 15.685 1.00 0.00 H new ATOM 0 HA THR A 41 118.494 -5.694 15.695 1.00 0.00 H new ATOM 0 HB THR A 41 116.265 -4.458 14.993 1.00 0.00 H new ATOM 0 HG1 THR A 41 116.208 -2.313 15.907 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.676 -4.146 17.381 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.598 -5.649 17.139 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.401 -4.211 17.815 1.00 0.00 H new ATOM 669 N PRO A 42 118.071 -5.826 13.144 1.00 0.00 N ATOM 670 CA PRO A 42 118.132 -5.946 11.657 1.00 0.00 C ATOM 671 C PRO A 42 117.388 -4.791 10.956 1.00 0.00 C ATOM 672 O PRO A 42 117.248 -3.710 11.493 1.00 0.00 O ATOM 673 CB PRO A 42 117.426 -7.302 11.398 1.00 0.00 C ATOM 674 CG PRO A 42 116.963 -7.890 12.745 1.00 0.00 C ATOM 675 CD PRO A 42 117.507 -7.005 13.873 1.00 0.00 C ATOM 0 HA PRO A 42 119.149 -5.899 11.268 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.572 -7.162 10.735 1.00 0.00 H new ATOM 0 HB3 PRO A 42 118.107 -7.992 10.900 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.875 -7.931 12.787 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.325 -8.912 12.857 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.721 -6.710 14.568 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.270 -7.520 14.456 1.00 0.00 H new ATOM 683 N ILE A 43 116.894 -5.031 9.767 1.00 0.00 N ATOM 684 CA ILE A 43 116.135 -3.978 9.030 1.00 0.00 C ATOM 685 C ILE A 43 114.696 -3.964 9.579 1.00 0.00 C ATOM 686 O ILE A 43 114.463 -4.362 10.703 1.00 0.00 O ATOM 687 CB ILE A 43 116.171 -4.303 7.517 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.933 -3.014 6.680 1.00 0.00 C ATOM 689 CG2 ILE A 43 115.109 -5.369 7.167 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.259 -2.290 6.407 1.00 0.00 C ATOM 0 H ILE A 43 116.986 -5.919 9.273 1.00 0.00 H new ATOM 0 HA ILE A 43 116.574 -2.990 9.169 1.00 0.00 H new ATOM 0 HB ILE A 43 117.156 -4.701 7.274 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.453 -3.271 5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.253 -2.349 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 43 115.149 -5.585 6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 43 115.310 -6.281 7.730 1.00 0.00 H new ATOM 0 HG23 ILE A 43 114.118 -4.994 7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 43 117.069 -1.391 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.724 -2.014 7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.927 -2.950 5.853 1.00 0.00 H new ATOM 702 N ASN A 44 113.729 -3.509 8.823 1.00 0.00 N ATOM 703 CA ASN A 44 112.329 -3.480 9.349 1.00 0.00 C ATOM 704 C ASN A 44 111.589 -4.782 9.020 1.00 0.00 C ATOM 705 O ASN A 44 111.436 -5.640 9.864 1.00 0.00 O ATOM 706 CB ASN A 44 111.566 -2.312 8.728 1.00 0.00 C ATOM 707 CG ASN A 44 112.063 -0.997 9.326 1.00 0.00 C ATOM 708 OD1 ASN A 44 111.880 -0.745 10.500 1.00 0.00 O ATOM 709 ND2 ASN A 44 112.687 -0.141 8.564 1.00 0.00 N ATOM 0 H ASN A 44 113.846 -3.159 7.872 1.00 0.00 H new ATOM 0 HA ASN A 44 112.381 -3.365 10.432 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.706 -2.307 7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 44 110.497 -2.425 8.911 1.00 0.00 H new ATOM 0 HD21 ASN A 44 113.021 0.740 8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 44 112.840 -0.353 7.578 1.00 0.00 H new ATOM 716 N ARG A 45 111.096 -4.917 7.806 1.00 0.00 N ATOM 717 CA ARG A 45 110.320 -6.149 7.427 1.00 0.00 C ATOM 718 C ARG A 45 110.930 -6.828 6.196 1.00 0.00 C ATOM 719 O ARG A 45 111.346 -6.187 5.251 1.00 0.00 O ATOM 720 CB ARG A 45 108.879 -5.745 7.087 1.00 0.00 C ATOM 721 CG ARG A 45 108.204 -5.074 8.296 1.00 0.00 C ATOM 722 CD ARG A 45 107.659 -6.129 9.268 1.00 0.00 C ATOM 723 NE ARG A 45 106.571 -6.906 8.599 1.00 0.00 N ATOM 724 CZ ARG A 45 105.570 -7.376 9.296 1.00 0.00 C ATOM 725 NH1 ARG A 45 105.792 -8.186 10.296 1.00 0.00 N ATOM 726 NH2 ARG A 45 104.349 -7.033 8.992 1.00 0.00 N ATOM 0 H ARG A 45 111.198 -4.227 7.061 1.00 0.00 H new ATOM 0 HA ARG A 45 110.347 -6.843 8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.878 -5.062 6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.310 -6.625 6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.921 -4.434 8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 45 107.392 -4.432 7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 45 108.460 -6.799 9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 45 107.276 -5.647 10.168 1.00 0.00 H new ATOM 0 HE ARG A 45 106.610 -7.070 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 45 106.747 -8.453 10.534 1.00 0.00 H new ATOM 0 HH12 ARG A 45 105.010 -8.552 10.839 1.00 0.00 H new ATOM 0 HH21 ARG A 45 104.177 -6.399 8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 45 103.566 -7.399 9.535 1.00 0.00 H new ATOM 740 N LEU A 46 110.948 -8.137 6.202 1.00 0.00 N ATOM 741 CA LEU A 46 111.484 -8.921 5.046 1.00 0.00 C ATOM 742 C LEU A 46 110.458 -10.009 4.693 1.00 0.00 C ATOM 743 O LEU A 46 110.610 -11.149 5.088 1.00 0.00 O ATOM 744 CB LEU A 46 112.805 -9.589 5.448 1.00 0.00 C ATOM 745 CG LEU A 46 113.911 -8.526 5.612 1.00 0.00 C ATOM 746 CD1 LEU A 46 115.002 -9.053 6.552 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.544 -8.208 4.250 1.00 0.00 C ATOM 0 H LEU A 46 110.607 -8.707 6.976 1.00 0.00 H new ATOM 0 HA LEU A 46 111.659 -8.265 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.675 -10.136 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 113.099 -10.316 4.691 1.00 0.00 H new ATOM 0 HG LEU A 46 113.466 -7.622 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.781 -8.299 6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.567 -9.274 7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.435 -9.962 6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.323 -7.457 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.980 -9.115 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.779 -7.826 3.574 1.00 0.00 H new ATOM 759 N PRO A 47 109.405 -9.672 3.981 1.00 0.00 N ATOM 760 CA PRO A 47 108.363 -10.679 3.638 1.00 0.00 C ATOM 761 C PRO A 47 108.895 -11.796 2.729 1.00 0.00 C ATOM 762 O PRO A 47 110.023 -11.762 2.274 1.00 0.00 O ATOM 763 CB PRO A 47 107.284 -9.829 2.928 1.00 0.00 C ATOM 764 CG PRO A 47 107.756 -8.360 2.899 1.00 0.00 C ATOM 765 CD PRO A 47 109.183 -8.289 3.472 1.00 0.00 C ATOM 0 HA PRO A 47 107.991 -11.211 4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.121 -10.194 1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.332 -9.910 3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.739 -7.978 1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.082 -7.735 3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.912 -8.017 2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.263 -7.548 4.267 1.00 0.00 H new ATOM 773 N ILE A 48 108.073 -12.778 2.458 1.00 0.00 N ATOM 774 CA ILE A 48 108.486 -13.905 1.579 1.00 0.00 C ATOM 775 C ILE A 48 107.712 -13.779 0.272 1.00 0.00 C ATOM 776 O ILE A 48 106.506 -13.636 0.266 1.00 0.00 O ATOM 777 CB ILE A 48 108.115 -15.233 2.240 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.723 -15.310 3.651 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.633 -16.394 1.389 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.244 -15.106 3.606 1.00 0.00 C ATOM 0 H ILE A 48 107.120 -12.844 2.816 1.00 0.00 H new ATOM 0 HA ILE A 48 109.562 -13.875 1.406 1.00 0.00 H new ATOM 0 HB ILE A 48 107.030 -15.299 2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.269 -14.551 4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.495 -16.278 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.367 -17.339 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.184 -16.346 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.717 -16.325 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.649 -15.165 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.697 -15.881 2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.467 -14.127 3.182 1.00 0.00 H new ATOM 841 N SER A 52 110.274 -17.314 -3.314 1.00 0.00 N ATOM 842 CA SER A 52 111.570 -16.609 -3.067 1.00 0.00 C ATOM 843 C SER A 52 111.403 -15.586 -1.939 1.00 0.00 C ATOM 844 O SER A 52 110.306 -15.302 -1.501 1.00 0.00 O ATOM 845 CB SER A 52 112.001 -15.890 -4.349 1.00 0.00 C ATOM 846 OG SER A 52 112.542 -16.839 -5.260 1.00 0.00 O ATOM 0 HA SER A 52 112.328 -17.336 -2.777 1.00 0.00 H new ATOM 0 HB2 SER A 52 111.148 -15.382 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 52 112.743 -15.125 -4.119 1.00 0.00 H new ATOM 0 HG SER A 52 112.817 -16.383 -6.082 1.00 0.00 H new ATOM 852 N VAL A 53 112.495 -15.032 -1.471 1.00 0.00 N ATOM 853 CA VAL A 53 112.440 -14.019 -0.369 1.00 0.00 C ATOM 854 C VAL A 53 112.804 -12.649 -0.942 1.00 0.00 C ATOM 855 O VAL A 53 113.693 -12.528 -1.761 1.00 0.00 O ATOM 856 CB VAL A 53 113.449 -14.414 0.723 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.276 -13.495 1.945 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.233 -15.902 1.129 1.00 0.00 C ATOM 0 H VAL A 53 113.434 -15.241 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 53 111.439 -13.979 0.062 1.00 0.00 H new ATOM 0 HB VAL A 53 114.462 -14.301 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 53 113.992 -13.777 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 53 113.450 -12.460 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.263 -13.596 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 53 113.950 -16.176 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.220 -16.032 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.377 -16.541 0.258 1.00 0.00 H new ATOM 868 N LEU A 54 112.116 -11.615 -0.536 1.00 0.00 N ATOM 869 CA LEU A 54 112.430 -10.266 -1.089 1.00 0.00 C ATOM 870 C LEU A 54 113.883 -9.918 -0.754 1.00 0.00 C ATOM 871 O LEU A 54 114.197 -9.503 0.343 1.00 0.00 O ATOM 872 CB LEU A 54 111.484 -9.228 -0.464 1.00 0.00 C ATOM 873 CG LEU A 54 111.738 -7.831 -1.060 1.00 0.00 C ATOM 874 CD1 LEU A 54 111.311 -7.795 -2.537 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.925 -6.798 -0.272 1.00 0.00 C ATOM 0 H LEU A 54 111.359 -11.645 0.147 1.00 0.00 H new ATOM 0 HA LEU A 54 112.296 -10.264 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.449 -9.521 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.629 -9.200 0.616 1.00 0.00 H new ATOM 0 HG LEU A 54 112.802 -7.602 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.496 -6.801 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.885 -8.531 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.249 -8.027 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.098 -5.805 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.864 -7.040 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.233 -6.813 0.773 1.00 0.00 H new ATOM 887 N ASP A 55 114.772 -10.087 -1.699 1.00 0.00 N ATOM 888 CA ASP A 55 116.206 -9.769 -1.445 1.00 0.00 C ATOM 889 C ASP A 55 116.379 -8.251 -1.320 1.00 0.00 C ATOM 890 O ASP A 55 116.284 -7.526 -2.289 1.00 0.00 O ATOM 891 CB ASP A 55 117.054 -10.283 -2.610 1.00 0.00 C ATOM 892 CG ASP A 55 118.536 -10.186 -2.245 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.843 -9.522 -1.269 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.339 -10.775 -2.948 1.00 0.00 O ATOM 0 H ASP A 55 114.565 -10.432 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 55 116.527 -10.249 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.791 -11.316 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.851 -9.698 -3.507 1.00 0.00 H new ATOM 899 N LEU A 56 116.635 -7.767 -0.136 1.00 0.00 N ATOM 900 CA LEU A 56 116.816 -6.297 0.050 1.00 0.00 C ATOM 901 C LEU A 56 117.935 -5.786 -0.861 1.00 0.00 C ATOM 902 O LEU A 56 117.989 -4.619 -1.198 1.00 0.00 O ATOM 903 CB LEU A 56 117.166 -6.009 1.517 1.00 0.00 C ATOM 904 CG LEU A 56 118.480 -6.741 1.916 1.00 0.00 C ATOM 905 CD1 LEU A 56 119.665 -5.767 1.891 1.00 0.00 C ATOM 906 CD2 LEU A 56 118.351 -7.315 3.334 1.00 0.00 C ATOM 0 H LEU A 56 116.727 -8.325 0.713 1.00 0.00 H new ATOM 0 HA LEU A 56 115.890 -5.785 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 117.281 -4.935 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 56 116.350 -6.335 2.163 1.00 0.00 H new ATOM 0 HG LEU A 56 118.651 -7.545 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 56 120.576 -6.295 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 56 119.778 -5.358 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 56 119.484 -4.955 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 56 119.275 -7.826 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 56 118.164 -6.505 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 56 117.523 -8.023 3.366 1.00 0.00 H new ATOM 918 N TYR A 57 118.834 -6.645 -1.258 1.00 0.00 N ATOM 919 CA TYR A 57 119.953 -6.202 -2.138 1.00 0.00 C ATOM 920 C TYR A 57 119.372 -5.626 -3.429 1.00 0.00 C ATOM 921 O TYR A 57 119.833 -4.626 -3.940 1.00 0.00 O ATOM 922 CB TYR A 57 120.834 -7.416 -2.481 1.00 0.00 C ATOM 923 CG TYR A 57 122.184 -6.961 -3.012 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.284 -6.297 -4.248 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.346 -7.209 -2.263 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.530 -5.883 -4.724 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.594 -6.797 -2.743 1.00 0.00 C ATOM 928 CZ TYR A 57 124.687 -6.131 -3.973 1.00 0.00 C ATOM 929 OH TYR A 57 125.918 -5.725 -4.447 1.00 0.00 O ATOM 0 H TYR A 57 118.842 -7.635 -1.011 1.00 0.00 H new ATOM 0 HA TYR A 57 120.549 -5.445 -1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.975 -8.033 -1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.334 -8.037 -3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.395 -6.107 -4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.276 -7.719 -1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.602 -5.371 -5.672 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.486 -6.992 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 57 126.614 -5.974 -3.804 1.00 0.00 H new ATOM 939 N GLU A 58 118.373 -6.263 -3.967 1.00 0.00 N ATOM 940 CA GLU A 58 117.772 -5.774 -5.237 1.00 0.00 C ATOM 941 C GLU A 58 117.217 -4.361 -5.039 1.00 0.00 C ATOM 942 O GLU A 58 117.294 -3.528 -5.918 1.00 0.00 O ATOM 943 CB GLU A 58 116.648 -6.720 -5.663 1.00 0.00 C ATOM 944 CG GLU A 58 116.024 -6.225 -6.969 1.00 0.00 C ATOM 945 CD GLU A 58 115.011 -7.254 -7.471 1.00 0.00 C ATOM 946 OE1 GLU A 58 114.906 -8.302 -6.855 1.00 0.00 O ATOM 947 OE2 GLU A 58 114.358 -6.979 -8.464 1.00 0.00 O ATOM 0 H GLU A 58 117.945 -7.104 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 58 118.536 -5.747 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 58 117.039 -7.729 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.889 -6.772 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.534 -5.264 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 58 116.800 -6.067 -7.718 1.00 0.00 H new ATOM 954 N LEU A 59 116.651 -4.080 -3.900 1.00 0.00 N ATOM 955 CA LEU A 59 116.093 -2.717 -3.676 1.00 0.00 C ATOM 956 C LEU A 59 117.215 -1.683 -3.825 1.00 0.00 C ATOM 957 O LEU A 59 117.038 -0.653 -4.444 1.00 0.00 O ATOM 958 CB LEU A 59 115.497 -2.636 -2.260 1.00 0.00 C ATOM 959 CG LEU A 59 114.908 -1.235 -1.992 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.643 -1.019 -2.836 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.554 -1.114 -0.505 1.00 0.00 C ATOM 0 H LEU A 59 116.550 -4.729 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 59 115.311 -2.513 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.719 -3.391 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 59 116.268 -2.858 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 59 115.646 -0.480 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.238 -0.027 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 59 113.892 -1.104 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.900 -1.773 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 59 114.137 -0.126 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.820 -1.876 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.453 -1.254 0.096 1.00 0.00 H new ATOM 973 N TYR A 60 118.360 -1.933 -3.247 1.00 0.00 N ATOM 974 CA TYR A 60 119.469 -0.939 -3.351 1.00 0.00 C ATOM 975 C TYR A 60 120.014 -0.858 -4.782 1.00 0.00 C ATOM 976 O TYR A 60 120.281 0.217 -5.280 1.00 0.00 O ATOM 977 CB TYR A 60 120.609 -1.314 -2.406 1.00 0.00 C ATOM 978 CG TYR A 60 121.628 -0.204 -2.454 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.289 1.063 -1.968 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.894 -0.425 -3.010 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.208 2.105 -2.036 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.820 0.623 -3.071 1.00 0.00 C ATOM 983 CZ TYR A 60 123.475 1.889 -2.585 1.00 0.00 C ATOM 984 OH TYR A 60 124.380 2.924 -2.650 1.00 0.00 O ATOM 0 H TYR A 60 118.575 -2.774 -2.712 1.00 0.00 H new ATOM 0 HA TYR A 60 119.062 0.034 -3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.236 -1.447 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 60 121.059 -2.260 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.312 1.233 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.155 -1.401 -3.391 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.942 3.083 -1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.800 0.455 -3.493 1.00 0.00 H new ATOM 0 HH TYR A 60 125.212 2.606 -3.058 1.00 0.00 H new ATOM 994 N ASN A 61 120.212 -1.966 -5.446 1.00 0.00 N ATOM 995 CA ASN A 61 120.772 -1.893 -6.827 1.00 0.00 C ATOM 996 C ASN A 61 119.832 -1.073 -7.726 1.00 0.00 C ATOM 997 O ASN A 61 120.269 -0.236 -8.489 1.00 0.00 O ATOM 998 CB ASN A 61 120.971 -3.326 -7.386 1.00 0.00 C ATOM 999 CG ASN A 61 119.762 -3.781 -8.218 1.00 0.00 C ATOM 1000 OD1 ASN A 61 118.730 -4.120 -7.680 1.00 0.00 O ATOM 1001 ND2 ASN A 61 119.853 -3.800 -9.521 1.00 0.00 N ATOM 0 H ASN A 61 120.014 -2.904 -5.099 1.00 0.00 H new ATOM 0 HA ASN A 61 121.742 -1.396 -6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 61 121.869 -3.355 -8.002 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.128 -4.021 -6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 61 119.057 -4.100 -10.084 1.00 0.00 H new ATOM 0 HD22 ASN A 61 120.720 -3.515 -9.976 1.00 0.00 H new ATOM 1008 N LEU A 62 118.552 -1.309 -7.647 1.00 0.00 N ATOM 1009 CA LEU A 62 117.603 -0.542 -8.505 1.00 0.00 C ATOM 1010 C LEU A 62 117.710 0.955 -8.198 1.00 0.00 C ATOM 1011 O LEU A 62 117.669 1.784 -9.082 1.00 0.00 O ATOM 1012 CB LEU A 62 116.170 -1.003 -8.225 1.00 0.00 C ATOM 1013 CG LEU A 62 115.956 -2.429 -8.755 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.608 -2.951 -8.249 1.00 0.00 C ATOM 1015 CD2 LEU A 62 115.977 -2.444 -10.298 1.00 0.00 C ATOM 0 H LEU A 62 118.122 -1.997 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 62 117.854 -0.719 -9.551 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.974 -0.973 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.463 -0.322 -8.698 1.00 0.00 H new ATOM 0 HG LEU A 62 116.762 -3.069 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.447 -3.963 -8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.607 -2.960 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.809 -2.302 -8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.824 -3.463 -10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.182 -1.803 -10.679 1.00 0.00 H new ATOM 0 HD23 LEU A 62 116.940 -2.077 -10.652 1.00 0.00 H new ATOM 1027 N VAL A 63 117.832 1.308 -6.948 1.00 0.00 N ATOM 1028 CA VAL A 63 117.920 2.752 -6.580 1.00 0.00 C ATOM 1029 C VAL A 63 119.139 3.407 -7.238 1.00 0.00 C ATOM 1030 O VAL A 63 119.021 4.411 -7.912 1.00 0.00 O ATOM 1031 CB VAL A 63 118.018 2.848 -5.052 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.438 4.255 -4.621 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.647 2.527 -4.445 1.00 0.00 C ATOM 0 H VAL A 63 117.875 0.658 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 63 117.035 3.280 -6.934 1.00 0.00 H new ATOM 0 HB VAL A 63 118.768 2.138 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.501 4.299 -3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.411 4.492 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.701 4.978 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.706 2.592 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.910 3.241 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.349 1.519 -4.732 1.00 0.00 H new ATOM 1043 N ILE A 64 120.306 2.857 -7.062 1.00 0.00 N ATOM 1044 CA ILE A 64 121.507 3.469 -7.695 1.00 0.00 C ATOM 1045 C ILE A 64 121.338 3.429 -9.214 1.00 0.00 C ATOM 1046 O ILE A 64 121.669 4.368 -9.910 1.00 0.00 O ATOM 1047 CB ILE A 64 122.759 2.686 -7.283 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.971 2.783 -5.759 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.984 3.235 -8.013 1.00 0.00 C ATOM 1050 CD1 ILE A 64 123.047 4.249 -5.298 1.00 0.00 C ATOM 0 H ILE A 64 120.481 2.016 -6.512 1.00 0.00 H new ATOM 0 HA ILE A 64 121.616 4.503 -7.368 1.00 0.00 H new ATOM 0 HB ILE A 64 122.622 1.639 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 64 122.154 2.279 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.889 2.265 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.868 2.672 -7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.840 3.139 -9.089 1.00 0.00 H new ATOM 0 HG23 ILE A 64 124.119 4.286 -7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 64 123.197 4.284 -4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.880 4.744 -5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 64 122.118 4.759 -5.552 1.00 0.00 H new ATOM 1062 N ALA A 65 120.813 2.355 -9.732 1.00 0.00 N ATOM 1063 CA ALA A 65 120.611 2.266 -11.204 1.00 0.00 C ATOM 1064 C ALA A 65 119.815 3.487 -11.671 1.00 0.00 C ATOM 1065 O ALA A 65 119.786 3.810 -12.841 1.00 0.00 O ATOM 1066 CB ALA A 65 119.836 0.991 -11.540 1.00 0.00 C ATOM 0 H ALA A 65 120.516 1.536 -9.201 1.00 0.00 H new ATOM 0 HA ALA A 65 121.577 2.240 -11.707 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.689 0.928 -12.618 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.399 0.122 -11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 65 118.866 1.013 -11.043 1.00 0.00 H new ATOM 1072 N ARG A 66 119.163 4.168 -10.760 1.00 0.00 N ATOM 1073 CA ARG A 66 118.362 5.371 -11.147 1.00 0.00 C ATOM 1074 C ARG A 66 119.198 6.637 -10.936 1.00 0.00 C ATOM 1075 O ARG A 66 118.757 7.732 -11.219 1.00 0.00 O ATOM 1076 CB ARG A 66 117.100 5.447 -10.284 1.00 0.00 C ATOM 1077 CG ARG A 66 116.198 4.238 -10.579 1.00 0.00 C ATOM 1078 CD ARG A 66 115.492 4.390 -11.948 1.00 0.00 C ATOM 1079 NE ARG A 66 115.899 3.261 -12.834 1.00 0.00 N ATOM 1080 CZ ARG A 66 115.900 3.412 -14.132 1.00 0.00 C ATOM 1081 NH1 ARG A 66 116.388 4.501 -14.660 1.00 0.00 N ATOM 1082 NH2 ARG A 66 115.413 2.477 -14.898 1.00 0.00 N ATOM 0 H ARG A 66 119.151 3.943 -9.765 1.00 0.00 H new ATOM 0 HA ARG A 66 118.081 5.292 -12.197 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.370 5.463 -9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.563 6.373 -10.489 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.794 3.326 -10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 66 115.452 4.136 -9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 66 114.410 4.393 -11.815 1.00 0.00 H new ATOM 0 HD3 ARG A 66 115.759 5.343 -12.405 1.00 0.00 H new ATOM 0 HE ARG A 66 116.177 2.369 -12.426 1.00 0.00 H new ATOM 0 HH11 ARG A 66 116.768 5.233 -14.060 1.00 0.00 H new ATOM 0 HH12 ARG A 66 116.389 4.620 -15.673 1.00 0.00 H new ATOM 0 HH21 ARG A 66 115.031 1.627 -14.484 1.00 0.00 H new ATOM 0 HH22 ARG A 66 115.414 2.596 -15.911 1.00 0.00 H new ATOM 1096 N GLY A 67 120.411 6.492 -10.465 1.00 0.00 N ATOM 1097 CA GLY A 67 121.294 7.685 -10.260 1.00 0.00 C ATOM 1098 C GLY A 67 121.299 8.134 -8.791 1.00 0.00 C ATOM 1099 O GLY A 67 122.092 8.971 -8.407 1.00 0.00 O ATOM 0 H GLY A 67 120.831 5.597 -10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 67 122.310 7.445 -10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.952 8.505 -10.891 1.00 0.00 H new ATOM 1103 N GLY A 68 120.442 7.591 -7.958 1.00 0.00 N ATOM 1104 CA GLY A 68 120.438 8.007 -6.513 1.00 0.00 C ATOM 1105 C GLY A 68 119.009 8.081 -5.976 1.00 0.00 C ATOM 1106 O GLY A 68 118.085 8.437 -6.681 1.00 0.00 O ATOM 0 H GLY A 68 119.751 6.885 -8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 68 121.017 7.296 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.922 8.978 -6.408 1.00 0.00 H new ATOM 1110 N LEU A 69 118.821 7.752 -4.724 1.00 0.00 N ATOM 1111 CA LEU A 69 117.453 7.809 -4.140 1.00 0.00 C ATOM 1112 C LEU A 69 116.909 9.239 -4.226 1.00 0.00 C ATOM 1113 O LEU A 69 115.754 9.449 -4.533 1.00 0.00 O ATOM 1114 CB LEU A 69 117.492 7.366 -2.671 1.00 0.00 C ATOM 1115 CG LEU A 69 116.085 7.419 -2.048 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.081 6.631 -2.907 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.144 6.786 -0.655 1.00 0.00 C ATOM 0 H LEU A 69 119.555 7.448 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 69 116.802 7.139 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 69 117.887 6.353 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.168 8.011 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 69 115.761 8.458 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.093 6.681 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.040 7.063 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.398 5.590 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.154 6.816 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.474 5.750 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 69 116.846 7.341 -0.033 1.00 0.00 H new ATOM 1129 N VAL A 70 117.722 10.228 -3.944 1.00 0.00 N ATOM 1130 CA VAL A 70 117.217 11.631 -4.001 1.00 0.00 C ATOM 1131 C VAL A 70 116.727 11.932 -5.417 1.00 0.00 C ATOM 1132 O VAL A 70 115.693 12.540 -5.605 1.00 0.00 O ATOM 1133 CB VAL A 70 118.335 12.617 -3.626 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.813 14.050 -3.802 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.790 12.395 -2.156 1.00 0.00 C ATOM 0 H VAL A 70 118.702 10.125 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 70 116.397 11.743 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 70 119.194 12.452 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.598 14.758 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.518 14.205 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.951 14.206 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.582 13.102 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 70 117.944 12.549 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.163 11.378 -2.040 1.00 0.00 H new ATOM 1145 N ASP A 71 117.440 11.498 -6.422 1.00 0.00 N ATOM 1146 CA ASP A 71 116.965 11.760 -7.808 1.00 0.00 C ATOM 1147 C ASP A 71 115.645 11.015 -8.014 1.00 0.00 C ATOM 1148 O ASP A 71 114.721 11.515 -8.624 1.00 0.00 O ATOM 1149 CB ASP A 71 118.004 11.269 -8.819 1.00 0.00 C ATOM 1150 CG ASP A 71 119.236 12.177 -8.772 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.088 13.322 -8.377 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.303 11.714 -9.140 1.00 0.00 O ATOM 0 H ASP A 71 118.316 10.982 -6.345 1.00 0.00 H new ATOM 0 HA ASP A 71 116.818 12.830 -7.956 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.288 10.241 -8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.578 11.269 -9.822 1.00 0.00 H new ATOM 1157 N VAL A 72 115.556 9.817 -7.503 1.00 0.00 N ATOM 1158 CA VAL A 72 114.304 9.021 -7.653 1.00 0.00 C ATOM 1159 C VAL A 72 113.126 9.733 -6.969 1.00 0.00 C ATOM 1160 O VAL A 72 112.067 9.886 -7.547 1.00 0.00 O ATOM 1161 CB VAL A 72 114.515 7.640 -7.012 1.00 0.00 C ATOM 1162 CG1 VAL A 72 113.181 6.890 -6.926 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.493 6.829 -7.866 1.00 0.00 C ATOM 0 H VAL A 72 116.302 9.353 -6.985 1.00 0.00 H new ATOM 0 HA VAL A 72 114.072 8.913 -8.713 1.00 0.00 H new ATOM 0 HB VAL A 72 114.918 7.772 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 72 113.342 5.913 -6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.480 7.463 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.771 6.760 -7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.645 5.849 -7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 72 115.085 6.707 -8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.447 7.353 -7.924 1.00 0.00 H new ATOM 1173 N ILE A 73 113.288 10.143 -5.738 1.00 0.00 N ATOM 1174 CA ILE A 73 112.160 10.814 -5.021 1.00 0.00 C ATOM 1175 C ILE A 73 111.753 12.102 -5.736 1.00 0.00 C ATOM 1176 O ILE A 73 110.596 12.320 -6.037 1.00 0.00 O ATOM 1177 CB ILE A 73 112.598 11.163 -3.597 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.987 9.887 -2.851 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.444 11.848 -2.858 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.655 10.257 -1.526 1.00 0.00 C ATOM 0 H ILE A 73 114.148 10.043 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 73 111.310 10.131 -5.003 1.00 0.00 H new ATOM 0 HB ILE A 73 113.455 11.835 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 73 112.103 9.276 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.666 9.290 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 73 111.758 12.096 -1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.165 12.761 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.587 11.176 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.933 9.348 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.548 10.850 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.961 10.837 -0.918 1.00 0.00 H new ATOM 1192 N ASN A 74 112.694 12.967 -5.994 1.00 0.00 N ATOM 1193 CA ASN A 74 112.363 14.252 -6.673 1.00 0.00 C ATOM 1194 C ASN A 74 111.743 13.990 -8.046 1.00 0.00 C ATOM 1195 O ASN A 74 110.819 14.664 -8.455 1.00 0.00 O ATOM 1196 CB ASN A 74 113.639 15.081 -6.828 1.00 0.00 C ATOM 1197 CG ASN A 74 113.308 16.403 -7.524 1.00 0.00 C ATOM 1198 OD1 ASN A 74 112.231 16.568 -8.064 1.00 0.00 O ATOM 1199 ND2 ASN A 74 114.197 17.357 -7.537 1.00 0.00 N ATOM 0 H ASN A 74 113.680 12.840 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 74 111.639 14.798 -6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.081 15.273 -5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.377 14.527 -7.408 1.00 0.00 H new ATOM 0 HD21 ASN A 74 113.989 18.242 -8.000 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.100 17.219 -7.084 1.00 0.00 H new ATOM 1206 N LYS A 75 112.244 13.025 -8.771 1.00 0.00 N ATOM 1207 CA LYS A 75 111.683 12.737 -10.125 1.00 0.00 C ATOM 1208 C LYS A 75 110.539 11.725 -10.008 1.00 0.00 C ATOM 1209 O LYS A 75 109.886 11.399 -10.980 1.00 0.00 O ATOM 1210 CB LYS A 75 112.784 12.165 -11.019 1.00 0.00 C ATOM 1211 CG LYS A 75 113.808 13.259 -11.328 1.00 0.00 C ATOM 1212 CD LYS A 75 114.911 12.689 -12.222 1.00 0.00 C ATOM 1213 CE LYS A 75 115.941 13.779 -12.521 1.00 0.00 C ATOM 1214 NZ LYS A 75 116.850 13.321 -13.609 1.00 0.00 N ATOM 0 H LYS A 75 113.017 12.424 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 75 111.301 13.660 -10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.271 11.326 -10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.354 11.782 -11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 75 113.321 14.098 -11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.237 13.642 -10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 75 115.393 11.844 -11.729 1.00 0.00 H new ATOM 0 HD3 LYS A 75 114.483 12.314 -13.152 1.00 0.00 H new ATOM 0 HE2 LYS A 75 115.437 14.699 -12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 75 116.517 14.006 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 117.550 14.063 -13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 117.341 12.454 -13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 116.295 13.126 -14.466 1.00 0.00 H new ATOM 1228 N LYS A 76 110.287 11.233 -8.825 1.00 0.00 N ATOM 1229 CA LYS A 76 109.181 10.249 -8.634 1.00 0.00 C ATOM 1230 C LYS A 76 109.344 9.066 -9.591 1.00 0.00 C ATOM 1231 O LYS A 76 108.392 8.608 -10.192 1.00 0.00 O ATOM 1232 CB LYS A 76 107.832 10.930 -8.878 1.00 0.00 C ATOM 1233 CG LYS A 76 107.551 11.912 -7.740 1.00 0.00 C ATOM 1234 CD LYS A 76 106.206 12.599 -7.973 1.00 0.00 C ATOM 1235 CE LYS A 76 105.935 13.579 -6.829 1.00 0.00 C ATOM 1236 NZ LYS A 76 105.707 12.817 -5.568 1.00 0.00 N ATOM 0 H LYS A 76 110.802 11.471 -7.978 1.00 0.00 H new ATOM 0 HA LYS A 76 109.219 9.878 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 76 107.844 11.455 -9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.039 10.184 -8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.541 11.385 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 76 108.346 12.656 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 76 106.215 13.128 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.410 11.857 -8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 76 106.779 14.258 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.064 14.192 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 105.232 13.429 -4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 105.109 11.989 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 106.620 12.501 -5.184 1.00 0.00 H new ATOM 1250 N LEU A 77 110.537 8.553 -9.722 1.00 0.00 N ATOM 1251 CA LEU A 77 110.752 7.385 -10.623 1.00 0.00 C ATOM 1252 C LEU A 77 110.371 6.112 -9.869 1.00 0.00 C ATOM 1253 O LEU A 77 110.636 5.011 -10.311 1.00 0.00 O ATOM 1254 CB LEU A 77 112.224 7.309 -11.043 1.00 0.00 C ATOM 1255 CG LEU A 77 112.589 8.529 -11.897 1.00 0.00 C ATOM 1256 CD1 LEU A 77 114.104 8.542 -12.128 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.855 8.478 -13.252 1.00 0.00 C ATOM 0 H LEU A 77 111.372 8.892 -9.244 1.00 0.00 H new ATOM 0 HA LEU A 77 110.137 7.493 -11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.861 7.269 -10.160 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.403 6.393 -11.607 1.00 0.00 H new ATOM 0 HG LEU A 77 112.285 9.436 -11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.372 9.407 -12.735 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.618 8.599 -11.168 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.401 7.630 -12.645 1.00 0.00 H new ATOM 0 HD21 LEU A 77 112.126 9.351 -13.845 1.00 0.00 H new ATOM 0 HD22 LEU A 77 112.142 7.573 -13.787 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.778 8.474 -13.083 1.00 0.00 H new ATOM 1269 N TRP A 78 109.749 6.257 -8.729 1.00 0.00 N ATOM 1270 CA TRP A 78 109.349 5.059 -7.939 1.00 0.00 C ATOM 1271 C TRP A 78 108.607 4.084 -8.854 1.00 0.00 C ATOM 1272 O TRP A 78 108.499 2.908 -8.567 1.00 0.00 O ATOM 1273 CB TRP A 78 108.413 5.483 -6.801 1.00 0.00 C ATOM 1274 CG TRP A 78 109.194 6.129 -5.701 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.161 7.447 -5.396 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.111 5.513 -4.751 1.00 0.00 C ATOM 1277 NE1 TRP A 78 109.998 7.679 -4.321 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.607 6.519 -3.887 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.556 4.193 -4.556 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.512 6.224 -2.866 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.467 3.893 -3.529 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.943 4.908 -2.687 1.00 0.00 C ATOM 0 H TRP A 78 109.501 7.154 -8.312 1.00 0.00 H new ATOM 0 HA TRP A 78 110.237 4.583 -7.524 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.661 6.176 -7.178 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.880 4.614 -6.416 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.576 8.196 -5.909 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.147 8.596 -3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 78 110.195 3.405 -5.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 111.876 7.008 -2.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.802 2.876 -3.388 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.643 4.672 -1.900 1.00 0.00 H new ATOM 1293 N GLN A 79 108.095 4.563 -9.952 1.00 0.00 N ATOM 1294 CA GLN A 79 107.363 3.664 -10.883 1.00 0.00 C ATOM 1295 C GLN A 79 108.310 2.559 -11.358 1.00 0.00 C ATOM 1296 O GLN A 79 107.934 1.413 -11.470 1.00 0.00 O ATOM 1297 CB GLN A 79 106.869 4.473 -12.086 1.00 0.00 C ATOM 1298 CG GLN A 79 105.749 5.419 -11.647 1.00 0.00 C ATOM 1299 CD GLN A 79 104.506 4.609 -11.275 1.00 0.00 C ATOM 1300 OE1 GLN A 79 104.009 3.838 -12.071 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.981 4.749 -10.088 1.00 0.00 N ATOM 0 H GLN A 79 108.152 5.539 -10.244 1.00 0.00 H new ATOM 0 HA GLN A 79 106.508 3.218 -10.374 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.692 5.044 -12.516 1.00 0.00 H new ATOM 0 HB3 GLN A 79 106.507 3.801 -12.864 1.00 0.00 H new ATOM 0 HG2 GLN A 79 106.076 6.014 -10.794 1.00 0.00 H new ATOM 0 HG3 GLN A 79 105.513 6.117 -12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 79 104.398 5.396 -9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 79 103.154 4.211 -9.829 1.00 0.00 H new ATOM 1310 N GLU A 80 109.541 2.889 -11.630 1.00 0.00 N ATOM 1311 CA GLU A 80 110.497 1.843 -12.092 1.00 0.00 C ATOM 1312 C GLU A 80 110.623 0.763 -11.018 1.00 0.00 C ATOM 1313 O GLU A 80 110.509 -0.415 -11.293 1.00 0.00 O ATOM 1314 CB GLU A 80 111.869 2.481 -12.343 1.00 0.00 C ATOM 1315 CG GLU A 80 112.880 1.411 -12.782 1.00 0.00 C ATOM 1316 CD GLU A 80 113.418 0.665 -11.556 1.00 0.00 C ATOM 1317 OE1 GLU A 80 113.863 1.327 -10.634 1.00 0.00 O ATOM 1318 OE2 GLU A 80 113.370 -0.554 -11.560 1.00 0.00 O ATOM 0 H GLU A 80 109.926 3.831 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 80 110.132 1.395 -13.016 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.786 3.250 -13.111 1.00 0.00 H new ATOM 0 HB3 GLU A 80 112.220 2.973 -11.436 1.00 0.00 H new ATOM 0 HG2 GLU A 80 112.404 0.708 -13.466 1.00 0.00 H new ATOM 0 HG3 GLU A 80 113.703 1.877 -13.325 1.00 0.00 H new ATOM 1325 N ILE A 81 110.857 1.153 -9.796 1.00 0.00 N ATOM 1326 CA ILE A 81 110.985 0.145 -8.709 1.00 0.00 C ATOM 1327 C ILE A 81 109.646 -0.577 -8.526 1.00 0.00 C ATOM 1328 O ILE A 81 109.583 -1.790 -8.484 1.00 0.00 O ATOM 1329 CB ILE A 81 111.377 0.851 -7.407 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.778 1.460 -7.558 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.384 -0.161 -6.259 1.00 0.00 C ATOM 1332 CD1 ILE A 81 113.051 2.406 -6.387 1.00 0.00 C ATOM 0 H ILE A 81 110.965 2.124 -9.504 1.00 0.00 H new ATOM 0 HA ILE A 81 111.753 -0.583 -8.970 1.00 0.00 H new ATOM 0 HB ILE A 81 110.657 1.641 -7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.529 0.670 -7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.851 2.001 -8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.663 0.341 -5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.390 -0.596 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 81 112.104 -0.951 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 81 114.046 2.839 -6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 81 112.307 3.203 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.995 1.851 -5.450 1.00 0.00 H new ATOM 1344 N ILE A 82 108.576 0.163 -8.416 1.00 0.00 N ATOM 1345 CA ILE A 82 107.237 -0.472 -8.236 1.00 0.00 C ATOM 1346 C ILE A 82 106.890 -1.314 -9.467 1.00 0.00 C ATOM 1347 O ILE A 82 106.439 -2.436 -9.351 1.00 0.00 O ATOM 1348 CB ILE A 82 106.191 0.621 -8.031 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.476 1.321 -6.696 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.789 0.000 -8.001 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.634 2.592 -6.565 1.00 0.00 C ATOM 0 H ILE A 82 108.571 1.183 -8.443 1.00 0.00 H new ATOM 0 HA ILE A 82 107.253 -1.125 -7.363 1.00 0.00 H new ATOM 0 HB ILE A 82 106.238 1.340 -8.849 1.00 0.00 H new ATOM 0 HG12 ILE A 82 106.255 0.645 -5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.535 1.571 -6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 82 104.047 0.785 -7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.597 -0.510 -8.945 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.726 -0.717 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.850 3.075 -5.612 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.876 3.274 -7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.576 2.334 -6.610 1.00 0.00 H new ATOM 1537 N ALA A 95 104.583 2.581 -2.787 1.00 0.00 N ATOM 1538 CA ALA A 95 105.631 3.625 -2.948 1.00 0.00 C ATOM 1539 C ALA A 95 105.929 4.239 -1.577 1.00 0.00 C ATOM 1540 O ALA A 95 107.067 4.366 -1.168 1.00 0.00 O ATOM 1541 CB ALA A 95 105.108 4.715 -3.901 1.00 0.00 C ATOM 0 HA ALA A 95 106.541 3.189 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 95 105.869 5.485 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 95 104.878 4.272 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.205 5.161 -3.483 1.00 0.00 H new ATOM 1547 N PHE A 96 104.902 4.620 -0.874 1.00 0.00 N ATOM 1548 CA PHE A 96 105.089 5.233 0.471 1.00 0.00 C ATOM 1549 C PHE A 96 105.805 4.240 1.394 1.00 0.00 C ATOM 1550 O PHE A 96 106.649 4.606 2.185 1.00 0.00 O ATOM 1551 CB PHE A 96 103.719 5.578 1.060 1.00 0.00 C ATOM 1552 CG PHE A 96 103.897 6.209 2.420 1.00 0.00 C ATOM 1553 CD1 PHE A 96 103.943 5.408 3.567 1.00 0.00 C ATOM 1554 CD2 PHE A 96 104.021 7.599 2.531 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.112 5.998 4.825 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.190 8.190 3.789 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.234 7.389 4.937 1.00 0.00 C ATOM 0 H PHE A 96 103.931 4.533 -1.175 1.00 0.00 H new ATOM 0 HA PHE A 96 105.690 6.138 0.380 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.189 6.262 0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.110 4.678 1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 96 103.848 4.336 3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.986 8.216 1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.148 5.380 5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.286 9.262 3.874 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.362 7.844 5.908 1.00 0.00 H new ATOM 1567 N THR A 97 105.462 2.988 1.315 1.00 0.00 N ATOM 1568 CA THR A 97 106.119 1.982 2.195 1.00 0.00 C ATOM 1569 C THR A 97 107.601 1.840 1.828 1.00 0.00 C ATOM 1570 O THR A 97 108.449 1.700 2.680 1.00 0.00 O ATOM 1571 CB THR A 97 105.424 0.631 2.021 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.054 0.758 2.378 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.094 -0.414 2.915 1.00 0.00 C ATOM 0 H THR A 97 104.756 2.616 0.680 1.00 0.00 H new ATOM 0 HA THR A 97 106.041 2.312 3.231 1.00 0.00 H new ATOM 0 HB THR A 97 105.502 0.314 0.981 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.605 -0.106 2.266 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.596 -1.375 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.144 -0.510 2.638 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.021 -0.102 3.957 1.00 0.00 H new ATOM 1581 N LEU A 98 107.919 1.845 0.568 1.00 0.00 N ATOM 1582 CA LEU A 98 109.346 1.678 0.161 1.00 0.00 C ATOM 1583 C LEU A 98 110.211 2.869 0.607 1.00 0.00 C ATOM 1584 O LEU A 98 111.265 2.694 1.186 1.00 0.00 O ATOM 1585 CB LEU A 98 109.416 1.562 -1.364 1.00 0.00 C ATOM 1586 CG LEU A 98 108.710 0.281 -1.836 1.00 0.00 C ATOM 1587 CD1 LEU A 98 108.470 0.368 -3.346 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.574 -0.957 -1.535 1.00 0.00 C ATOM 0 H LEU A 98 107.257 1.957 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 98 109.731 0.779 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.949 2.433 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.457 1.551 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 98 107.762 0.187 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 98 107.969 -0.538 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.845 1.233 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.425 0.471 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.057 -1.854 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.529 -0.869 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.749 -1.026 -0.461 1.00 0.00 H new ATOM 1600 N ARG A 99 109.802 4.072 0.306 1.00 0.00 N ATOM 1601 CA ARG A 99 110.632 5.263 0.671 1.00 0.00 C ATOM 1602 C ARG A 99 110.861 5.375 2.187 1.00 0.00 C ATOM 1603 O ARG A 99 111.930 5.747 2.625 1.00 0.00 O ATOM 1604 CB ARG A 99 109.955 6.541 0.159 1.00 0.00 C ATOM 1605 CG ARG A 99 108.689 6.824 0.966 1.00 0.00 C ATOM 1606 CD ARG A 99 107.883 7.931 0.284 1.00 0.00 C ATOM 1607 NE ARG A 99 107.262 7.390 -0.957 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.421 8.116 -1.640 1.00 0.00 C ATOM 1609 NH1 ARG A 99 105.304 8.510 -1.092 1.00 0.00 N ATOM 1610 NH2 ARG A 99 106.695 8.446 -2.873 1.00 0.00 N ATOM 0 H ARG A 99 108.929 4.285 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 99 111.607 5.136 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.642 7.383 0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.706 6.432 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.087 5.919 1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.952 7.124 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.112 8.304 0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.531 8.774 0.043 1.00 0.00 H new ATOM 0 HE ARG A 99 107.495 6.449 -1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 99 105.089 8.250 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 99 104.646 9.078 -1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 99 107.567 8.136 -3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.037 9.014 -3.407 1.00 0.00 H new ATOM 1624 N THR A 100 109.874 5.102 2.996 1.00 0.00 N ATOM 1625 CA THR A 100 110.068 5.257 4.472 1.00 0.00 C ATOM 1626 C THR A 100 110.962 4.147 5.053 1.00 0.00 C ATOM 1627 O THR A 100 111.854 4.413 5.835 1.00 0.00 O ATOM 1628 CB THR A 100 108.700 5.249 5.173 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.829 5.833 6.462 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.183 3.815 5.314 1.00 0.00 C ATOM 0 H THR A 100 108.950 4.782 2.706 1.00 0.00 H new ATOM 0 HA THR A 100 110.571 6.208 4.647 1.00 0.00 H new ATOM 0 HB THR A 100 107.992 5.822 4.575 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.958 5.831 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.214 3.825 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.079 3.367 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 100 108.888 3.230 5.905 1.00 0.00 H new ATOM 1638 N GLN A 101 110.724 2.910 4.707 1.00 0.00 N ATOM 1639 CA GLN A 101 111.558 1.812 5.280 1.00 0.00 C ATOM 1640 C GLN A 101 113.015 2.013 4.854 1.00 0.00 C ATOM 1641 O GLN A 101 113.937 1.852 5.631 1.00 0.00 O ATOM 1642 CB GLN A 101 111.047 0.468 4.759 1.00 0.00 C ATOM 1643 CG GLN A 101 109.586 0.276 5.180 1.00 0.00 C ATOM 1644 CD GLN A 101 109.479 0.199 6.701 1.00 0.00 C ATOM 1645 OE1 GLN A 101 109.164 1.176 7.350 1.00 0.00 O ATOM 1646 NE2 GLN A 101 109.712 -0.931 7.299 1.00 0.00 N ATOM 0 H GLN A 101 109.995 2.613 4.058 1.00 0.00 H new ATOM 0 HA GLN A 101 111.494 1.825 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.131 0.432 3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 101 111.659 -0.343 5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 101 108.981 1.103 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.189 -0.636 4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 101 109.977 -1.751 6.754 1.00 0.00 H new ATOM 0 HE22 GLN A 101 109.630 -0.997 8.314 1.00 0.00 H new ATOM 1655 N TYR A 102 113.219 2.378 3.621 1.00 0.00 N ATOM 1656 CA TYR A 102 114.598 2.610 3.111 1.00 0.00 C ATOM 1657 C TYR A 102 115.262 3.720 3.926 1.00 0.00 C ATOM 1658 O TYR A 102 116.373 3.590 4.396 1.00 0.00 O ATOM 1659 CB TYR A 102 114.499 3.061 1.651 1.00 0.00 C ATOM 1660 CG TYR A 102 115.873 3.136 1.024 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.717 4.218 1.301 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.299 2.124 0.156 1.00 0.00 C ATOM 1663 CE1 TYR A 102 117.984 4.286 0.708 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.563 2.194 -0.438 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.405 3.275 -0.163 1.00 0.00 C ATOM 1666 OH TYR A 102 119.653 3.344 -0.747 1.00 0.00 O ATOM 0 H TYR A 102 112.479 2.528 2.935 1.00 0.00 H new ATOM 0 HA TYR A 102 115.186 1.696 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.875 2.365 1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.015 4.036 1.598 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.391 5.000 1.971 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.650 1.287 -0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.636 5.119 0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.888 1.413 -1.109 1.00 0.00 H new ATOM 0 HH TYR A 102 120.045 4.226 -0.578 1.00 0.00 H new ATOM 1676 N MET A 103 114.589 4.820 4.082 1.00 0.00 N ATOM 1677 CA MET A 103 115.175 5.956 4.842 1.00 0.00 C ATOM 1678 C MET A 103 115.417 5.579 6.301 1.00 0.00 C ATOM 1679 O MET A 103 116.318 6.092 6.935 1.00 0.00 O ATOM 1680 CB MET A 103 114.229 7.156 4.771 1.00 0.00 C ATOM 1681 CG MET A 103 114.231 7.716 3.347 1.00 0.00 C ATOM 1682 SD MET A 103 113.065 9.101 3.232 1.00 0.00 S ATOM 1683 CE MET A 103 113.962 10.282 4.276 1.00 0.00 C ATOM 0 H MET A 103 113.652 4.984 3.714 1.00 0.00 H new ATOM 0 HA MET A 103 116.135 6.211 4.394 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.220 6.856 5.055 1.00 0.00 H new ATOM 0 HB3 MET A 103 114.544 7.924 5.477 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.234 8.049 3.078 1.00 0.00 H new ATOM 0 HG3 MET A 103 113.954 6.935 2.639 1.00 0.00 H new ATOM 0 HE1 MET A 103 113.668 11.298 4.011 1.00 0.00 H new ATOM 0 HE2 MET A 103 113.723 10.097 5.323 1.00 0.00 H new ATOM 0 HE3 MET A 103 115.034 10.162 4.122 1.00 0.00 H new ATOM 1693 N LYS A 104 114.615 4.722 6.863 1.00 0.00 N ATOM 1694 CA LYS A 104 114.817 4.378 8.295 1.00 0.00 C ATOM 1695 C LYS A 104 116.196 3.711 8.489 1.00 0.00 C ATOM 1696 O LYS A 104 116.849 3.937 9.489 1.00 0.00 O ATOM 1697 CB LYS A 104 113.675 3.444 8.770 1.00 0.00 C ATOM 1698 CG LYS A 104 113.317 3.696 10.256 1.00 0.00 C ATOM 1699 CD LYS A 104 114.351 3.034 11.210 1.00 0.00 C ATOM 1700 CE LYS A 104 114.779 4.024 12.303 1.00 0.00 C ATOM 1701 NZ LYS A 104 115.711 3.347 13.249 1.00 0.00 N ATOM 0 H LYS A 104 113.838 4.250 6.400 1.00 0.00 H new ATOM 0 HA LYS A 104 114.794 5.287 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.792 3.602 8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 104 113.975 2.404 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 104 113.280 4.769 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 104 112.323 3.301 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 104 113.917 2.144 11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 104 115.223 2.709 10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 104 115.265 4.890 11.854 1.00 0.00 H new ATOM 0 HE3 LYS A 104 113.904 4.392 12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 115.495 3.644 14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 115.599 2.316 13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 116.691 3.608 13.017 1.00 0.00 H new ATOM 1715 N TYR A 105 116.641 2.873 7.565 1.00 0.00 N ATOM 1716 CA TYR A 105 117.974 2.181 7.749 1.00 0.00 C ATOM 1717 C TYR A 105 118.893 2.291 6.517 1.00 0.00 C ATOM 1718 O TYR A 105 120.068 1.997 6.620 1.00 0.00 O ATOM 1719 CB TYR A 105 117.733 0.685 7.982 1.00 0.00 C ATOM 1720 CG TYR A 105 117.115 0.447 9.332 1.00 0.00 C ATOM 1721 CD1 TYR A 105 117.929 0.327 10.466 1.00 0.00 C ATOM 1722 CD2 TYR A 105 115.729 0.339 9.448 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.346 0.096 11.717 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.147 0.111 10.696 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.954 -0.012 11.833 1.00 0.00 C ATOM 1726 OH TYR A 105 115.379 -0.236 13.067 1.00 0.00 O ATOM 0 H TYR A 105 116.147 2.641 6.703 1.00 0.00 H new ATOM 0 HA TYR A 105 118.459 2.672 8.593 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.079 0.292 7.203 1.00 0.00 H new ATOM 0 HB3 TYR A 105 118.677 0.144 7.909 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.002 0.412 10.375 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.106 0.432 8.571 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.970 0.001 12.594 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.074 0.029 10.784 1.00 0.00 H new ATOM 0 HH TYR A 105 114.405 -0.283 12.970 1.00 0.00 H new ATOM 1736 N LEU A 106 118.391 2.627 5.351 1.00 0.00 N ATOM 1737 CA LEU A 106 119.284 2.644 4.134 1.00 0.00 C ATOM 1738 C LEU A 106 119.677 4.061 3.681 1.00 0.00 C ATOM 1739 O LEU A 106 120.580 4.208 2.881 1.00 0.00 O ATOM 1740 CB LEU A 106 118.561 1.905 2.992 1.00 0.00 C ATOM 1741 CG LEU A 106 118.630 0.374 3.226 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.438 -0.321 2.554 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.931 -0.192 2.634 1.00 0.00 C ATOM 0 H LEU A 106 117.419 2.887 5.185 1.00 0.00 H new ATOM 0 HA LEU A 106 120.217 2.146 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.521 2.227 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.021 2.157 2.036 1.00 0.00 H new ATOM 0 HG LEU A 106 118.602 0.190 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.499 -1.396 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.509 0.062 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.459 -0.124 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.970 -1.268 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.961 0.008 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.786 0.282 3.115 1.00 0.00 H new ATOM 1755 N TYR A 107 119.057 5.110 4.156 1.00 0.00 N ATOM 1756 CA TYR A 107 119.503 6.459 3.681 1.00 0.00 C ATOM 1757 C TYR A 107 120.902 6.787 4.248 1.00 0.00 C ATOM 1758 O TYR A 107 121.709 7.374 3.555 1.00 0.00 O ATOM 1759 CB TYR A 107 118.482 7.563 4.037 1.00 0.00 C ATOM 1760 CG TYR A 107 119.135 8.922 3.919 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.277 9.516 2.660 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.605 9.580 5.061 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.885 10.770 2.540 1.00 0.00 C ATOM 1764 CE2 TYR A 107 120.214 10.835 4.944 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.354 11.431 3.683 1.00 0.00 C ATOM 1766 OH TYR A 107 120.956 12.668 3.566 1.00 0.00 O ATOM 0 H TYR A 107 118.289 5.099 4.827 1.00 0.00 H new ATOM 0 HA TYR A 107 119.566 6.428 2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.621 7.504 3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.111 7.415 5.051 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.916 9.005 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.498 9.120 6.032 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.993 11.228 1.568 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.576 11.344 5.825 1.00 0.00 H new ATOM 0 HH TYR A 107 120.580 13.143 2.796 1.00 0.00 H new ATOM 1776 N PRO A 108 121.219 6.417 5.476 1.00 0.00 N ATOM 1777 CA PRO A 108 122.571 6.717 6.023 1.00 0.00 C ATOM 1778 C PRO A 108 123.631 5.823 5.368 1.00 0.00 C ATOM 1779 O PRO A 108 124.713 6.261 5.032 1.00 0.00 O ATOM 1780 CB PRO A 108 122.404 6.406 7.527 1.00 0.00 C ATOM 1781 CG PRO A 108 120.955 5.934 7.765 1.00 0.00 C ATOM 1782 CD PRO A 108 120.298 5.693 6.395 1.00 0.00 C ATOM 0 HA PRO A 108 122.907 7.737 5.838 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.110 5.635 7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.618 7.292 8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.945 5.019 8.358 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.398 6.684 8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.234 4.632 6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.284 6.091 6.353 1.00 0.00 H new ATOM 1790 N TYR A 109 123.310 4.571 5.178 1.00 0.00 N ATOM 1791 CA TYR A 109 124.276 3.638 4.534 1.00 0.00 C ATOM 1792 C TYR A 109 124.573 4.138 3.121 1.00 0.00 C ATOM 1793 O TYR A 109 125.713 4.280 2.726 1.00 0.00 O ATOM 1794 CB TYR A 109 123.660 2.240 4.466 1.00 0.00 C ATOM 1795 CG TYR A 109 124.706 1.245 4.022 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.771 0.930 4.874 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.606 0.623 2.769 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.737 0.001 4.474 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.573 -0.305 2.371 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.639 -0.616 3.222 1.00 0.00 C ATOM 1801 OH TYR A 109 127.592 -1.534 2.826 1.00 0.00 O ATOM 0 H TYR A 109 122.417 4.154 5.442 1.00 0.00 H new ATOM 0 HA TYR A 109 125.199 3.596 5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.266 1.957 5.442 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.821 2.235 3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.847 1.405 5.841 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.783 0.861 2.112 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.559 -0.240 5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.497 -0.782 1.405 1.00 0.00 H new ATOM 0 HH TYR A 109 127.373 -1.867 1.931 1.00 0.00 H new ATOM 1811 N GLU A 110 123.550 4.425 2.359 1.00 0.00 N ATOM 1812 CA GLU A 110 123.766 4.938 0.984 1.00 0.00 C ATOM 1813 C GLU A 110 124.567 6.237 1.080 1.00 0.00 C ATOM 1814 O GLU A 110 125.518 6.457 0.361 1.00 0.00 O ATOM 1815 CB GLU A 110 122.404 5.222 0.345 1.00 0.00 C ATOM 1816 CG GLU A 110 122.595 5.742 -1.079 1.00 0.00 C ATOM 1817 CD GLU A 110 121.227 5.896 -1.751 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.234 5.848 -1.044 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.195 6.045 -2.961 1.00 0.00 O ATOM 0 H GLU A 110 122.573 4.324 2.635 1.00 0.00 H new ATOM 0 HA GLU A 110 124.306 4.210 0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.802 4.313 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.860 5.956 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.114 6.700 -1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.217 5.053 -1.649 1.00 0.00 H new ATOM 1826 N CYS A 111 124.169 7.098 1.977 1.00 0.00 N ATOM 1827 CA CYS A 111 124.871 8.402 2.156 1.00 0.00 C ATOM 1828 C CYS A 111 126.323 8.191 2.606 1.00 0.00 C ATOM 1829 O CYS A 111 127.221 8.878 2.170 1.00 0.00 O ATOM 1830 CB CYS A 111 124.130 9.220 3.214 1.00 0.00 C ATOM 1831 SG CYS A 111 124.965 10.809 3.448 1.00 0.00 S ATOM 0 H CYS A 111 123.376 6.951 2.602 1.00 0.00 H new ATOM 0 HA CYS A 111 124.881 8.928 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 111 123.097 9.382 2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.099 8.672 4.156 1.00 0.00 H new ATOM 0 HG CYS A 111 124.373 11.720 2.734 1.00 0.00 H new ATOM 1837 N GLU A 112 126.569 7.269 3.492 1.00 0.00 N ATOM 1838 CA GLU A 112 127.971 7.072 3.958 1.00 0.00 C ATOM 1839 C GLU A 112 128.833 6.566 2.799 1.00 0.00 C ATOM 1840 O GLU A 112 129.865 7.126 2.490 1.00 0.00 O ATOM 1841 CB GLU A 112 127.989 6.046 5.097 1.00 0.00 C ATOM 1842 CG GLU A 112 129.397 5.955 5.694 1.00 0.00 C ATOM 1843 CD GLU A 112 129.725 7.253 6.434 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.836 7.786 7.078 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.861 7.690 6.349 1.00 0.00 O ATOM 0 H GLU A 112 125.873 6.651 3.909 1.00 0.00 H new ATOM 0 HA GLU A 112 128.371 8.021 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.275 6.334 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.679 5.070 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 112 129.459 5.109 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 112 130.127 5.780 4.904 1.00 0.00 H new ATOM 1852 N LYS A 113 128.424 5.507 2.165 1.00 0.00 N ATOM 1853 CA LYS A 113 129.226 4.959 1.038 1.00 0.00 C ATOM 1854 C LYS A 113 129.175 5.888 -0.185 1.00 0.00 C ATOM 1855 O LYS A 113 130.159 6.041 -0.882 1.00 0.00 O ATOM 1856 CB LYS A 113 128.691 3.574 0.656 1.00 0.00 C ATOM 1857 CG LYS A 113 128.879 2.590 1.825 1.00 0.00 C ATOM 1858 CD LYS A 113 130.373 2.287 2.043 1.00 0.00 C ATOM 1859 CE LYS A 113 130.531 0.964 2.798 1.00 0.00 C ATOM 1860 NZ LYS A 113 129.973 -0.146 1.975 1.00 0.00 N ATOM 0 H LYS A 113 127.568 4.995 2.378 1.00 0.00 H new ATOM 0 HA LYS A 113 130.264 4.881 1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.635 3.643 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.213 3.205 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 113 128.451 3.012 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 113 128.341 1.665 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 113 130.886 2.231 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 113 130.839 3.095 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 113 131.583 0.779 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 113 130.015 1.016 3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 129.108 -0.510 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 129.747 0.207 1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 130.674 -0.911 1.903 1.00 0.00 H new ATOM 1874 N LYS A 114 128.036 6.477 -0.481 1.00 0.00 N ATOM 1875 CA LYS A 114 127.930 7.357 -1.701 1.00 0.00 C ATOM 1876 C LYS A 114 127.779 8.843 -1.332 1.00 0.00 C ATOM 1877 O LYS A 114 128.194 9.709 -2.076 1.00 0.00 O ATOM 1878 CB LYS A 114 126.698 6.924 -2.502 1.00 0.00 C ATOM 1879 CG LYS A 114 126.830 5.453 -2.929 1.00 0.00 C ATOM 1880 CD LYS A 114 127.741 5.329 -4.155 1.00 0.00 C ATOM 1881 CE LYS A 114 127.697 3.892 -4.673 1.00 0.00 C ATOM 1882 NZ LYS A 114 128.621 3.755 -5.832 1.00 0.00 N ATOM 0 H LYS A 114 127.178 6.389 0.064 1.00 0.00 H new ATOM 0 HA LYS A 114 128.847 7.247 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 114 125.799 7.056 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 114 126.587 7.557 -3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 114 127.236 4.864 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 114 125.845 5.045 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 114 127.417 6.019 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 114 128.763 5.602 -3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 114 127.984 3.200 -3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 114 126.681 3.632 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 128.592 2.777 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 128.328 4.406 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 129.590 3.986 -5.533 1.00 0.00 H new ATOM 1896 N ASN A 115 127.185 9.158 -0.214 1.00 0.00 N ATOM 1897 CA ASN A 115 127.016 10.602 0.145 1.00 0.00 C ATOM 1898 C ASN A 115 126.352 11.334 -1.023 1.00 0.00 C ATOM 1899 O ASN A 115 126.788 12.387 -1.441 1.00 0.00 O ATOM 1900 CB ASN A 115 128.381 11.233 0.423 1.00 0.00 C ATOM 1901 CG ASN A 115 128.182 12.621 1.030 1.00 0.00 C ATOM 1902 OD1 ASN A 115 127.862 12.747 2.196 1.00 0.00 O ATOM 1903 ND2 ASN A 115 128.344 13.676 0.280 1.00 0.00 N ATOM 0 H ASN A 115 126.812 8.491 0.461 1.00 0.00 H new ATOM 0 HA ASN A 115 126.395 10.682 1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 115 128.953 10.604 1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 115 128.955 11.306 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 115 128.202 14.607 0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 115 128.613 13.570 -0.698 1.00 0.00 H new ATOM 1910 N LEU A 116 125.302 10.774 -1.554 1.00 0.00 N ATOM 1911 CA LEU A 116 124.603 11.418 -2.701 1.00 0.00 C ATOM 1912 C LEU A 116 124.065 12.788 -2.289 1.00 0.00 C ATOM 1913 O LEU A 116 124.095 13.730 -3.056 1.00 0.00 O ATOM 1914 CB LEU A 116 123.417 10.548 -3.118 1.00 0.00 C ATOM 1915 CG LEU A 116 123.902 9.158 -3.538 1.00 0.00 C ATOM 1916 CD1 LEU A 116 122.691 8.233 -3.662 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.639 9.230 -4.886 1.00 0.00 C ATOM 0 H LEU A 116 124.895 9.893 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 116 125.309 11.531 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 116 122.712 10.461 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 116 122.883 11.020 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 116 124.593 8.774 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.022 7.238 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.180 8.172 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.006 8.628 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 116 124.977 8.233 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 116 123.964 9.615 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.500 9.893 -4.795 1.00 0.00 H new ATOM 1929 N SER A 117 123.541 12.905 -1.097 1.00 0.00 N ATOM 1930 CA SER A 117 122.967 14.214 -0.666 1.00 0.00 C ATOM 1931 C SER A 117 123.043 14.369 0.853 1.00 0.00 C ATOM 1932 O SER A 117 123.490 13.494 1.566 1.00 0.00 O ATOM 1933 CB SER A 117 121.500 14.268 -1.089 1.00 0.00 C ATOM 1934 OG SER A 117 120.779 13.256 -0.398 1.00 0.00 O ATOM 0 H SER A 117 123.486 12.156 -0.407 1.00 0.00 H new ATOM 0 HA SER A 117 123.538 15.018 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.080 15.249 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.414 14.123 -2.166 1.00 0.00 H new ATOM 0 HG SER A 117 120.439 13.616 0.447 1.00 0.00 H new ATOM 1940 N THR A 118 122.584 15.493 1.338 1.00 0.00 N ATOM 1941 CA THR A 118 122.579 15.772 2.805 1.00 0.00 C ATOM 1942 C THR A 118 121.147 16.174 3.187 1.00 0.00 C ATOM 1943 O THR A 118 120.400 16.630 2.346 1.00 0.00 O ATOM 1944 CB THR A 118 123.548 16.936 3.088 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.512 17.845 1.998 1.00 0.00 O ATOM 1946 CG2 THR A 118 124.972 16.398 3.258 1.00 0.00 C ATOM 0 H THR A 118 122.204 16.246 0.765 1.00 0.00 H new ATOM 0 HA THR A 118 122.894 14.902 3.381 1.00 0.00 H new ATOM 0 HB THR A 118 123.248 17.444 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.077 17.507 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.652 17.226 3.458 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.999 15.697 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.280 15.888 2.345 1.00 0.00 H new ATOM 1954 N PRO A 119 120.745 16.011 4.425 1.00 0.00 N ATOM 1955 CA PRO A 119 119.361 16.384 4.817 1.00 0.00 C ATOM 1956 C PRO A 119 118.947 17.747 4.236 1.00 0.00 C ATOM 1957 O PRO A 119 117.777 18.041 4.094 1.00 0.00 O ATOM 1958 CB PRO A 119 119.448 16.397 6.360 1.00 0.00 C ATOM 1959 CG PRO A 119 120.888 16.010 6.765 1.00 0.00 C ATOM 1960 CD PRO A 119 121.602 15.469 5.514 1.00 0.00 C ATOM 0 HA PRO A 119 118.599 15.702 4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.197 17.385 6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 119 118.731 15.696 6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.418 16.875 7.163 1.00 0.00 H new ATOM 0 HG3 PRO A 119 120.873 15.256 7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 119 122.630 15.825 5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 119 121.640 14.380 5.502 1.00 0.00 H new ATOM 1968 N ALA A 120 119.899 18.577 3.903 1.00 0.00 N ATOM 1969 CA ALA A 120 119.557 19.916 3.335 1.00 0.00 C ATOM 1970 C ALA A 120 118.927 19.772 1.941 1.00 0.00 C ATOM 1971 O ALA A 120 117.794 20.157 1.719 1.00 0.00 O ATOM 1972 CB ALA A 120 120.832 20.750 3.224 1.00 0.00 C ATOM 0 H ALA A 120 120.897 18.388 3.999 1.00 0.00 H new ATOM 0 HA ALA A 120 118.839 20.404 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.591 21.729 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.274 20.873 4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.542 20.244 2.570 1.00 0.00 H new ATOM 1978 N GLU A 121 119.650 19.225 0.996 1.00 0.00 N ATOM 1979 CA GLU A 121 119.090 19.067 -0.379 1.00 0.00 C ATOM 1980 C GLU A 121 118.016 17.976 -0.386 1.00 0.00 C ATOM 1981 O GLU A 121 117.047 18.054 -1.115 1.00 0.00 O ATOM 1982 CB GLU A 121 120.226 18.729 -1.371 1.00 0.00 C ATOM 1983 CG GLU A 121 121.369 17.994 -0.644 1.00 0.00 C ATOM 1984 CD GLU A 121 122.363 19.012 -0.074 1.00 0.00 C ATOM 1985 OE1 GLU A 121 121.914 20.002 0.478 1.00 0.00 O ATOM 1986 OE2 GLU A 121 123.554 18.785 -0.204 1.00 0.00 O ATOM 0 H GLU A 121 120.603 18.882 1.118 1.00 0.00 H new ATOM 0 HA GLU A 121 118.627 20.003 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.840 18.107 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.605 19.644 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 121 120.964 17.378 0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 121 121.879 17.322 -1.335 1.00 0.00 H new ATOM 1993 N LEU A 122 118.170 16.963 0.418 1.00 0.00 N ATOM 1994 CA LEU A 122 117.144 15.883 0.446 1.00 0.00 C ATOM 1995 C LEU A 122 115.798 16.485 0.844 1.00 0.00 C ATOM 1996 O LEU A 122 114.776 16.186 0.260 1.00 0.00 O ATOM 1997 CB LEU A 122 117.555 14.812 1.460 1.00 0.00 C ATOM 1998 CG LEU A 122 116.422 13.795 1.654 1.00 0.00 C ATOM 1999 CD1 LEU A 122 115.976 13.231 0.300 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.934 12.653 2.534 1.00 0.00 C ATOM 0 H LEU A 122 118.957 16.835 1.054 1.00 0.00 H new ATOM 0 HA LEU A 122 117.061 15.426 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.455 14.302 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.799 15.280 2.414 1.00 0.00 H new ATOM 0 HG LEU A 122 115.571 14.286 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.172 12.511 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.620 14.044 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.819 12.737 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 122 116.139 11.922 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.784 12.173 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 122 117.245 13.050 3.501 1.00 0.00 H new ATOM 2012 N GLN A 123 115.790 17.343 1.826 1.00 0.00 N ATOM 2013 CA GLN A 123 114.509 17.969 2.246 1.00 0.00 C ATOM 2014 C GLN A 123 113.932 18.714 1.048 1.00 0.00 C ATOM 2015 O GLN A 123 112.742 18.696 0.805 1.00 0.00 O ATOM 2016 CB GLN A 123 114.761 18.937 3.404 1.00 0.00 C ATOM 2017 CG GLN A 123 113.438 19.571 3.841 1.00 0.00 C ATOM 2018 CD GLN A 123 113.685 20.495 5.035 1.00 0.00 C ATOM 2019 OE1 GLN A 123 114.490 21.402 4.961 1.00 0.00 O ATOM 2020 NE2 GLN A 123 113.024 20.298 6.143 1.00 0.00 N ATOM 0 H GLN A 123 116.613 17.636 2.353 1.00 0.00 H new ATOM 0 HA GLN A 123 113.805 17.209 2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.216 18.408 4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.463 19.712 3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 123 113.002 20.134 3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 123 112.722 18.795 4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 123 112.348 19.537 6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 123 113.183 20.905 6.947 1.00 0.00 H new ATOM 2029 N ALA A 124 114.771 19.350 0.281 1.00 0.00 N ATOM 2030 CA ALA A 124 114.267 20.071 -0.914 1.00 0.00 C ATOM 2031 C ALA A 124 113.577 19.055 -1.826 1.00 0.00 C ATOM 2032 O ALA A 124 112.545 19.326 -2.406 1.00 0.00 O ATOM 2033 CB ALA A 124 115.436 20.721 -1.656 1.00 0.00 C ATOM 0 H ALA A 124 115.779 19.401 0.430 1.00 0.00 H new ATOM 0 HA ALA A 124 113.565 20.850 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.062 21.249 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 124 115.940 21.426 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.141 19.951 -1.970 1.00 0.00 H new ATOM 2039 N ALA A 125 114.135 17.878 -1.950 1.00 0.00 N ATOM 2040 CA ALA A 125 113.500 16.841 -2.811 1.00 0.00 C ATOM 2041 C ALA A 125 112.183 16.403 -2.169 1.00 0.00 C ATOM 2042 O ALA A 125 111.183 16.213 -2.838 1.00 0.00 O ATOM 2043 CB ALA A 125 114.434 15.629 -2.936 1.00 0.00 C ATOM 0 H ALA A 125 115.001 17.593 -1.493 1.00 0.00 H new ATOM 0 HA ALA A 125 113.312 17.252 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 125 113.966 14.873 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.378 15.941 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.622 15.211 -1.947 1.00 0.00 H new ATOM 2049 N ILE A 126 112.167 16.251 -0.871 1.00 0.00 N ATOM 2050 CA ILE A 126 110.911 15.832 -0.194 1.00 0.00 C ATOM 2051 C ILE A 126 109.893 16.974 -0.268 1.00 0.00 C ATOM 2052 O ILE A 126 108.745 16.769 -0.595 1.00 0.00 O ATOM 2053 CB ILE A 126 111.202 15.490 1.271 1.00 0.00 C ATOM 2054 CG1 ILE A 126 112.201 14.328 1.331 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.907 15.081 1.973 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.684 14.135 2.771 1.00 0.00 C ATOM 0 H ILE A 126 112.967 16.399 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 126 110.505 14.950 -0.690 1.00 0.00 H new ATOM 0 HB ILE A 126 111.622 16.364 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.731 13.413 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 126 113.049 14.531 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 126 110.119 14.839 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.194 15.904 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.484 14.208 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 126 113.394 13.308 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 126 113.170 15.047 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.832 13.912 3.414 1.00 0.00 H new