USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 857 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 57 LYS NZ :NH3+ -178:sc= 2.51 (180deg=1.47) USER MOD Set 1.2: A 110 HIS : no HE2:sc= -0.404 K(o=2.1,f=-8.3!) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0.393 USER MOD Set 2.2: A 81 ASN : amide:sc= -0.335 K(o=0.059,f=-3.3!) USER MOD Set 3.1: A 12 HIS : no HD1:sc= -0.0762 X(o=-0.036,f=0.04) USER MOD Set 3.2: A 79 THR OG1 : rot 180:sc= 0.0401 USER MOD Set 4.1: A 31 HIS : no HE2:sc= 0.94 K(o=-2.2,f=-11!) USER MOD Set 4.2: A 34 GLN : amide:sc= -3.13! X(o=-2.2!,f=-1.7) USER MOD Set 5.1: A 24 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.2!) USER MOD Set 5.2: A 28 GLN : amide:sc= 0.0437 K(o=1.2,f=0.5) USER MOD Set 6.1: A 15 LYS NZ :NH3+ -113:sc= 0.488 (180deg=0.0834) USER MOD Set 6.2: A 18 LYS NZ :NH3+ 166:sc= 0.822 (180deg=0.556) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -153:sc= 0.685 (180deg=0.197!) USER MOD Single : A 13 MET CE :methyl 179:sc= 0 (180deg=-0.00353) USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0.697 (180deg=0.612) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -34:sc= 1.13 USER MOD Single : A 38 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.18) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 0.75 (180deg=0.0836) USER MOD Single : A 41 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.52) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= 0.947 (180deg=0.175) USER MOD Single : A 53 HIS : no HE2:sc= 0.968 K(o=0.97,f=-2.9!) USER MOD Single : A 56 LYS NZ :NH3+ -127:sc= 0.257 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.42 K(o=-1.4,f=-2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.844 K(o=0.84,f=-0.011) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.15) USER MOD Single : A 88 TYR OH : rot 8:sc= 1.31 USER MOD Single : A 95 GLN : amide:sc= 0.696 K(o=0.7,f=0) USER MOD Single : A 102 LYS NZ :NH3+ -170:sc= 0.431 (180deg=0.391) USER MOD Single : A 105 LYS NZ :NH3+ -152:sc= 0.559 (180deg=-0.862!) USER MOD Single : A 109 SER OG : rot -32:sc= 1.16 USER MOD Single : A 111 SER OG : rot -81:sc= 1.21 USER MOD Single : A 112 SER OG : rot 68:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 84 N ARG A 7 5.245 29.374 3.732 1.00 0.00 N ATOM 85 CA ARG A 7 3.858 29.859 3.763 1.00 0.00 C ATOM 86 C ARG A 7 2.884 28.726 4.064 1.00 0.00 C ATOM 87 O ARG A 7 1.928 28.907 4.820 1.00 0.00 O ATOM 88 CB ARG A 7 3.514 30.506 2.410 1.00 0.00 C ATOM 89 CG ARG A 7 2.043 30.912 2.225 1.00 0.00 C ATOM 90 CD ARG A 7 1.602 32.024 3.168 1.00 0.00 C ATOM 91 NE ARG A 7 0.176 32.335 2.961 1.00 0.00 N ATOM 92 CZ ARG A 7 -0.530 33.214 3.665 1.00 0.00 C ATOM 93 NH1 ARG A 7 -0.007 33.911 4.645 1.00 0.00 N ATOM 94 NH2 ARG A 7 -1.789 33.392 3.375 1.00 0.00 N ATOM 0 HA ARG A 7 3.766 30.598 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.136 31.392 2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.783 29.810 1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.889 31.236 1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.410 30.039 2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.769 31.721 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.204 32.916 2.996 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.309 31.834 2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.975 33.788 4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.583 34.576 5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.218 32.860 2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.345 34.063 3.906 1.00 0.00 H new ATOM 108 N TYR A 8 3.128 27.566 3.479 1.00 0.00 N ATOM 109 CA TYR A 8 2.244 26.420 3.651 1.00 0.00 C ATOM 110 C TYR A 8 2.743 25.439 4.699 1.00 0.00 C ATOM 111 O TYR A 8 2.156 24.386 4.874 1.00 0.00 O ATOM 112 CB TYR A 8 2.117 25.667 2.321 1.00 0.00 C ATOM 113 CG TYR A 8 1.732 26.537 1.137 1.00 0.00 C ATOM 114 CD1 TYR A 8 0.796 27.589 1.265 1.00 0.00 C ATOM 115 CD2 TYR A 8 2.303 26.306 -0.128 1.00 0.00 C ATOM 116 CE1 TYR A 8 0.459 28.401 0.152 1.00 0.00 C ATOM 117 CE2 TYR A 8 1.963 27.115 -1.238 1.00 0.00 C ATOM 118 CZ TYR A 8 1.055 28.162 -1.084 1.00 0.00 C ATOM 119 OH TYR A 8 0.739 28.960 -2.153 1.00 0.00 O ATOM 0 H TYR A 8 3.933 27.390 2.878 1.00 0.00 H new ATOM 0 HA TYR A 8 1.284 26.815 3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.067 25.179 2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.372 24.879 2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.332 27.777 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.011 25.500 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.257 29.202 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.406 26.922 -2.204 1.00 0.00 H new ATOM 0 HH TYR A 8 1.239 28.664 -2.942 1.00 0.00 H new ATOM 129 N SER A 9 3.830 25.773 5.384 1.00 0.00 N ATOM 130 CA SER A 9 4.518 24.825 6.277 1.00 0.00 C ATOM 131 C SER A 9 3.634 24.010 7.219 1.00 0.00 C ATOM 132 O SER A 9 3.841 22.812 7.372 1.00 0.00 O ATOM 133 CB SER A 9 5.559 25.572 7.109 1.00 0.00 C ATOM 134 OG SER A 9 4.963 26.677 7.772 1.00 0.00 O ATOM 0 H SER A 9 4.262 26.696 5.343 1.00 0.00 H new ATOM 0 HA SER A 9 4.962 24.095 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.002 24.896 7.841 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.367 25.919 6.465 1.00 0.00 H new ATOM 0 HG SER A 9 5.641 27.145 8.302 1.00 0.00 H new ATOM 140 N LYS A 10 2.649 24.645 7.838 1.00 0.00 N ATOM 141 CA LYS A 10 1.762 23.950 8.780 1.00 0.00 C ATOM 142 C LYS A 10 1.019 22.764 8.151 1.00 0.00 C ATOM 143 O LYS A 10 1.115 21.633 8.629 1.00 0.00 O ATOM 144 CB LYS A 10 0.764 24.931 9.443 1.00 0.00 C ATOM 145 CG LYS A 10 0.526 26.311 8.739 1.00 0.00 C ATOM 146 CD LYS A 10 -0.388 26.213 7.514 1.00 0.00 C ATOM 147 CE LYS A 10 -0.687 27.575 6.909 1.00 0.00 C ATOM 148 NZ LYS A 10 -1.695 27.435 5.802 1.00 0.00 N ATOM 0 H LYS A 10 2.439 25.635 7.711 1.00 0.00 H new ATOM 0 HA LYS A 10 2.412 23.537 9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.198 24.426 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.110 25.127 10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.089 27.007 9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.487 26.727 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.082 25.579 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.323 25.731 7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.069 28.247 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.230 28.020 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.568 28.207 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.560 26.522 5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.655 27.479 6.199 1.00 0.00 H new ATOM 162 N GLU A 11 0.288 23.010 7.078 1.00 0.00 N ATOM 163 CA GLU A 11 -0.492 21.959 6.438 1.00 0.00 C ATOM 164 C GLU A 11 0.410 21.098 5.584 1.00 0.00 C ATOM 165 O GLU A 11 0.131 19.942 5.393 1.00 0.00 O ATOM 166 CB GLU A 11 -1.598 22.553 5.576 1.00 0.00 C ATOM 167 CG GLU A 11 -2.694 23.248 6.369 1.00 0.00 C ATOM 168 CD GLU A 11 -3.489 22.274 7.215 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.169 21.403 6.642 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.432 22.362 8.464 1.00 0.00 O ATOM 0 H GLU A 11 0.216 23.924 6.631 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.949 21.349 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.158 23.268 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.044 21.759 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.250 24.008 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.366 23.764 5.683 1.00 0.00 H new ATOM 177 N HIS A 12 1.503 21.655 5.088 1.00 0.00 N ATOM 178 CA HIS A 12 2.472 20.889 4.305 1.00 0.00 C ATOM 179 C HIS A 12 3.021 19.769 5.185 1.00 0.00 C ATOM 180 O HIS A 12 3.038 18.614 4.784 1.00 0.00 O ATOM 181 CB HIS A 12 3.601 21.819 3.840 1.00 0.00 C ATOM 182 CG HIS A 12 4.667 21.148 3.033 1.00 0.00 C ATOM 183 ND1 HIS A 12 5.913 21.683 2.822 1.00 0.00 N ATOM 184 CD2 HIS A 12 4.675 19.960 2.360 1.00 0.00 C ATOM 185 CE1 HIS A 12 6.603 20.843 2.060 1.00 0.00 C ATOM 186 NE2 HIS A 12 5.900 19.778 1.749 1.00 0.00 N ATOM 0 H HIS A 12 1.746 22.638 5.212 1.00 0.00 H new ATOM 0 HA HIS A 12 2.000 20.457 3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.169 22.626 3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.061 22.277 4.716 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.848 19.267 2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 12 7.619 21.014 1.735 1.00 0.00 H new ATOM 0 HE2 HIS A 12 6.196 18.986 1.178 1.00 0.00 H new ATOM 194 N MET A 13 3.444 20.107 6.396 1.00 0.00 N ATOM 195 CA MET A 13 3.967 19.104 7.320 1.00 0.00 C ATOM 196 C MET A 13 2.865 18.130 7.736 1.00 0.00 C ATOM 197 O MET A 13 3.083 16.923 7.792 1.00 0.00 O ATOM 198 CB MET A 13 4.548 19.785 8.561 1.00 0.00 C ATOM 199 CG MET A 13 5.260 18.831 9.511 1.00 0.00 C ATOM 200 SD MET A 13 5.873 19.685 10.979 1.00 0.00 S ATOM 201 CE MET A 13 4.361 19.832 11.967 1.00 0.00 C ATOM 0 H MET A 13 3.437 21.059 6.761 1.00 0.00 H new ATOM 0 HA MET A 13 4.755 18.547 6.813 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.249 20.558 8.245 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.743 20.285 9.099 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.575 18.038 9.811 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.092 18.355 8.993 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.590 20.325 12.912 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.625 20.421 11.420 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.957 18.839 12.164 1.00 0.00 H new ATOM 211 N LYS A 14 1.674 18.650 8.016 1.00 0.00 N ATOM 212 CA LYS A 14 0.559 17.789 8.426 1.00 0.00 C ATOM 213 C LYS A 14 0.169 16.817 7.311 1.00 0.00 C ATOM 214 O LYS A 14 -0.112 15.650 7.566 1.00 0.00 O ATOM 215 CB LYS A 14 -0.645 18.645 8.822 1.00 0.00 C ATOM 216 CG LYS A 14 -1.718 17.870 9.588 1.00 0.00 C ATOM 217 CD LYS A 14 -2.909 18.760 9.927 1.00 0.00 C ATOM 218 CE LYS A 14 -3.822 18.951 8.721 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.868 19.987 8.992 1.00 0.00 N ATOM 0 H LYS A 14 1.453 19.645 7.969 1.00 0.00 H new ATOM 0 HA LYS A 14 0.883 17.203 9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.302 19.478 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.089 19.072 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.053 17.022 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.291 17.465 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.474 18.317 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.553 19.730 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.229 19.247 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.301 18.004 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.505 20.059 8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.415 19.716 9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.411 20.907 9.157 1.00 0.00 H new ATOM 233 N LYS A 15 0.165 17.299 6.077 1.00 0.00 N ATOM 234 CA LYS A 15 -0.155 16.471 4.919 1.00 0.00 C ATOM 235 C LYS A 15 0.918 15.411 4.783 1.00 0.00 C ATOM 236 O LYS A 15 0.607 14.240 4.705 1.00 0.00 O ATOM 237 CB LYS A 15 -0.213 17.325 3.645 1.00 0.00 C ATOM 238 CG LYS A 15 -0.756 16.597 2.433 1.00 0.00 C ATOM 239 CD LYS A 15 -0.001 17.013 1.171 1.00 0.00 C ATOM 240 CE LYS A 15 -0.633 16.403 -0.066 1.00 0.00 C ATOM 241 NZ LYS A 15 -0.591 14.905 -0.046 1.00 0.00 N ATOM 0 H LYS A 15 0.382 18.269 5.849 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.131 16.006 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.833 18.201 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.790 17.687 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.666 15.521 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.818 16.815 2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.000 18.100 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.040 16.698 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.669 16.734 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.115 16.767 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.042 14.565 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.238 14.580 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.548 14.529 -0.203 1.00 0.00 H new ATOM 255 N MET A 16 2.175 15.835 4.785 1.00 0.00 N ATOM 256 CA MET A 16 3.308 14.918 4.662 1.00 0.00 C ATOM 257 C MET A 16 3.245 13.842 5.741 1.00 0.00 C ATOM 258 O MET A 16 3.525 12.682 5.471 1.00 0.00 O ATOM 259 CB MET A 16 4.625 15.701 4.761 1.00 0.00 C ATOM 260 CG MET A 16 5.873 14.842 4.645 1.00 0.00 C ATOM 261 SD MET A 16 7.375 15.842 4.755 1.00 0.00 S ATOM 262 CE MET A 16 8.637 14.574 4.900 1.00 0.00 C ATOM 0 H MET A 16 2.440 16.816 4.871 1.00 0.00 H new ATOM 0 HA MET A 16 3.260 14.428 3.690 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.644 16.457 3.976 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.649 16.230 5.714 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.875 14.092 5.436 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.860 14.305 3.696 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.618 15.044 4.976 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.451 13.976 5.792 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.610 13.932 4.020 1.00 0.00 H new ATOM 272 N MET A 17 2.861 14.211 6.956 1.00 0.00 N ATOM 273 CA MET A 17 2.706 13.223 8.023 1.00 0.00 C ATOM 274 C MET A 17 1.597 12.228 7.669 1.00 0.00 C ATOM 275 O MET A 17 1.791 11.029 7.781 1.00 0.00 O ATOM 276 CB MET A 17 2.390 13.910 9.357 1.00 0.00 C ATOM 277 CG MET A 17 2.246 12.937 10.518 1.00 0.00 C ATOM 278 SD MET A 17 1.870 13.784 12.063 1.00 0.00 S ATOM 279 CE MET A 17 1.632 12.366 13.166 1.00 0.00 C ATOM 0 H MET A 17 2.653 15.172 7.228 1.00 0.00 H new ATOM 0 HA MET A 17 3.647 12.682 8.127 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.182 14.623 9.586 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.467 14.480 9.254 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.455 12.221 10.295 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.169 12.368 10.631 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.391 12.721 14.168 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.815 11.748 12.793 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.547 11.775 13.201 1.00 0.00 H new ATOM 289 N LYS A 18 0.448 12.726 7.227 1.00 0.00 N ATOM 290 CA LYS A 18 -0.679 11.864 6.828 1.00 0.00 C ATOM 291 C LYS A 18 -0.266 10.953 5.670 1.00 0.00 C ATOM 292 O LYS A 18 -0.578 9.762 5.666 1.00 0.00 O ATOM 293 CB LYS A 18 -1.896 12.752 6.460 1.00 0.00 C ATOM 294 CG LYS A 18 -2.910 12.179 5.431 1.00 0.00 C ATOM 295 CD LYS A 18 -2.772 12.892 4.069 1.00 0.00 C ATOM 296 CE LYS A 18 -3.642 12.246 2.971 1.00 0.00 C ATOM 297 NZ LYS A 18 -3.398 12.874 1.609 1.00 0.00 N ATOM 0 H LYS A 18 0.264 13.725 7.133 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.966 11.219 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.438 12.979 7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.518 13.698 6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.742 11.109 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.925 12.300 5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.053 13.939 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.728 12.874 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.429 11.178 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.695 12.349 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.811 12.271 0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.841 13.814 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.375 12.967 1.448 1.00 0.00 H new ATOM 311 N ASP A 19 0.444 11.506 4.700 1.00 0.00 N ATOM 312 CA ASP A 19 0.868 10.739 3.533 1.00 0.00 C ATOM 313 C ASP A 19 1.862 9.645 3.935 1.00 0.00 C ATOM 314 O ASP A 19 1.774 8.515 3.477 1.00 0.00 O ATOM 315 CB ASP A 19 1.546 11.644 2.500 1.00 0.00 C ATOM 316 CG ASP A 19 0.657 12.790 2.017 1.00 0.00 C ATOM 317 OD1 ASP A 19 1.173 13.916 1.972 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.533 12.594 1.667 1.00 0.00 O ATOM 0 H ASP A 19 0.740 12.482 4.695 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.026 10.290 3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.456 12.059 2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.847 11.042 1.643 1.00 0.00 H new ATOM 323 N LEU A 20 2.822 9.975 4.789 1.00 0.00 N ATOM 324 CA LEU A 20 3.837 8.998 5.190 1.00 0.00 C ATOM 325 C LEU A 20 3.333 7.988 6.200 1.00 0.00 C ATOM 326 O LEU A 20 3.832 6.874 6.252 1.00 0.00 O ATOM 327 CB LEU A 20 5.086 9.686 5.736 1.00 0.00 C ATOM 328 CG LEU A 20 5.956 10.375 4.674 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.177 10.984 5.357 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.405 9.382 3.574 1.00 0.00 C ATOM 0 H LEU A 20 2.923 10.897 5.214 1.00 0.00 H new ATOM 0 HA LEU A 20 4.089 8.452 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.782 10.428 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.692 8.946 6.259 1.00 0.00 H new ATOM 0 HG LEU A 20 5.366 11.154 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.803 11.476 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.853 11.714 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.749 10.197 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.018 9.905 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.986 8.577 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.527 8.964 3.081 1.00 0.00 H new ATOM 342 N GLU A 21 2.334 8.347 6.987 1.00 0.00 N ATOM 343 CA GLU A 21 1.706 7.382 7.884 1.00 0.00 C ATOM 344 C GLU A 21 1.026 6.356 6.972 1.00 0.00 C ATOM 345 O GLU A 21 0.991 5.151 7.245 1.00 0.00 O ATOM 346 CB GLU A 21 0.691 8.085 8.787 1.00 0.00 C ATOM 347 CG GLU A 21 0.229 7.260 9.964 1.00 0.00 C ATOM 348 CD GLU A 21 -0.915 7.934 10.706 1.00 0.00 C ATOM 349 OE1 GLU A 21 -0.702 8.430 11.827 1.00 0.00 O ATOM 350 OE2 GLU A 21 -2.043 7.954 10.154 1.00 0.00 O ATOM 0 H GLU A 21 1.941 9.287 7.027 1.00 0.00 H new ATOM 0 HA GLU A 21 2.428 6.901 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.132 9.010 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.178 8.363 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.091 6.277 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.063 7.101 10.647 1.00 0.00 H new ATOM 357 N GLY A 22 0.513 6.855 5.854 1.00 0.00 N ATOM 358 CA GLY A 22 -0.075 5.996 4.848 1.00 0.00 C ATOM 359 C GLY A 22 0.988 5.142 4.185 1.00 0.00 C ATOM 360 O GLY A 22 0.747 3.985 3.917 1.00 0.00 O ATOM 0 H GLY A 22 0.495 7.849 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.830 5.356 5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.583 6.602 4.097 1.00 0.00 H new ATOM 364 N LEU A 23 2.168 5.695 3.932 1.00 0.00 N ATOM 365 CA LEU A 23 3.262 4.923 3.326 1.00 0.00 C ATOM 366 C LEU A 23 3.684 3.798 4.284 1.00 0.00 C ATOM 367 O LEU A 23 3.917 2.658 3.876 1.00 0.00 O ATOM 368 CB LEU A 23 4.437 5.851 2.984 1.00 0.00 C ATOM 369 CG LEU A 23 5.255 5.449 1.742 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.109 6.621 1.274 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.159 4.243 2.006 1.00 0.00 C ATOM 0 H LEU A 23 2.398 6.668 4.133 1.00 0.00 H new ATOM 0 HA LEU A 23 2.924 4.468 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.050 6.859 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.108 5.892 3.842 1.00 0.00 H new ATOM 0 HG LEU A 23 4.540 5.170 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.683 6.325 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.464 7.462 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.792 6.915 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.714 3.999 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.858 4.481 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.549 3.388 2.299 1.00 0.00 H new ATOM 383 N HIS A 24 3.747 4.110 5.569 1.00 0.00 N ATOM 384 CA HIS A 24 4.051 3.096 6.567 1.00 0.00 C ATOM 385 C HIS A 24 2.938 2.048 6.551 1.00 0.00 C ATOM 386 O HIS A 24 3.199 0.853 6.646 1.00 0.00 O ATOM 387 CB HIS A 24 4.195 3.721 7.955 1.00 0.00 C ATOM 388 CG HIS A 24 4.647 2.749 8.998 1.00 0.00 C ATOM 389 ND1 HIS A 24 5.654 1.831 8.819 1.00 0.00 N ATOM 390 CD2 HIS A 24 4.206 2.544 10.268 1.00 0.00 C ATOM 391 CE1 HIS A 24 5.777 1.126 9.935 1.00 0.00 C ATOM 392 NE2 HIS A 24 4.915 1.513 10.856 1.00 0.00 N ATOM 0 H HIS A 24 3.594 5.047 5.943 1.00 0.00 H new ATOM 0 HA HIS A 24 5.003 2.621 6.328 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.907 4.544 7.903 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.237 4.146 8.255 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.211 1.712 7.973 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.417 3.105 10.747 1.00 0.00 H new ATOM 0 HE1 HIS A 24 6.495 0.332 10.073 1.00 0.00 H new ATOM 400 N ARG A 25 1.691 2.478 6.393 1.00 0.00 N ATOM 401 CA ARG A 25 0.592 1.517 6.234 1.00 0.00 C ATOM 402 C ARG A 25 0.721 0.713 4.935 1.00 0.00 C ATOM 403 O ARG A 25 0.224 -0.390 4.865 1.00 0.00 O ATOM 404 CB ARG A 25 -0.771 2.203 6.272 1.00 0.00 C ATOM 405 CG ARG A 25 -1.321 2.365 7.677 1.00 0.00 C ATOM 406 CD ARG A 25 -2.719 2.966 7.636 1.00 0.00 C ATOM 407 NE ARG A 25 -2.686 4.388 7.254 1.00 0.00 N ATOM 408 CZ ARG A 25 -2.625 5.409 8.104 1.00 0.00 C ATOM 409 NH1 ARG A 25 -2.614 5.245 9.401 1.00 0.00 N ATOM 410 NH2 ARG A 25 -2.577 6.625 7.644 1.00 0.00 N ATOM 0 H ARG A 25 1.414 3.459 6.371 1.00 0.00 H new ATOM 0 HA ARG A 25 0.664 0.832 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.689 3.185 5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.478 1.625 5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.350 1.397 8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.660 3.006 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.333 2.412 6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.189 2.862 8.614 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.712 4.607 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.653 4.306 9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.566 6.056 10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.586 6.790 6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.530 7.413 8.290 1.00 0.00 H new ATOM 424 N ALA A 26 1.393 1.238 3.922 1.00 0.00 N ATOM 425 CA ALA A 26 1.626 0.481 2.692 1.00 0.00 C ATOM 426 C ALA A 26 2.681 -0.608 2.955 1.00 0.00 C ATOM 427 O ALA A 26 2.602 -1.692 2.389 1.00 0.00 O ATOM 428 CB ALA A 26 2.059 1.404 1.543 1.00 0.00 C ATOM 0 H ALA A 26 1.786 2.179 3.922 1.00 0.00 H new ATOM 0 HA ALA A 26 0.693 0.007 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.224 0.812 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.278 2.141 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.982 1.916 1.815 1.00 0.00 H new ATOM 434 N GLU A 27 3.646 -0.347 3.828 1.00 0.00 N ATOM 435 CA GLU A 27 4.609 -1.401 4.220 1.00 0.00 C ATOM 436 C GLU A 27 3.830 -2.495 4.984 1.00 0.00 C ATOM 437 O GLU A 27 3.988 -3.732 4.789 1.00 0.00 O ATOM 438 CB GLU A 27 5.714 -0.825 5.116 1.00 0.00 C ATOM 439 CG GLU A 27 6.542 0.268 4.447 1.00 0.00 C ATOM 440 CD GLU A 27 7.566 0.882 5.394 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.765 0.904 5.046 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.168 1.353 6.487 1.00 0.00 O ATOM 0 H GLU A 27 3.792 0.558 4.276 1.00 0.00 H new ATOM 0 HA GLU A 27 5.084 -1.815 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.261 -0.422 6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.377 -1.633 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.056 -0.148 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.877 1.049 4.078 1.00 0.00 H new ATOM 449 N GLN A 28 2.948 -2.022 5.847 1.00 0.00 N ATOM 450 CA GLN A 28 2.077 -2.911 6.589 1.00 0.00 C ATOM 451 C GLN A 28 1.177 -3.658 5.609 1.00 0.00 C ATOM 452 O GLN A 28 0.802 -4.765 5.888 1.00 0.00 O ATOM 453 CB GLN A 28 1.236 -2.137 7.606 1.00 0.00 C ATOM 454 CG GLN A 28 2.057 -1.518 8.739 1.00 0.00 C ATOM 455 CD GLN A 28 1.249 -0.551 9.584 1.00 0.00 C ATOM 456 OE1 GLN A 28 0.029 -0.527 9.535 1.00 0.00 O ATOM 457 NE2 GLN A 28 1.928 0.254 10.353 1.00 0.00 N ATOM 0 H GLN A 28 2.818 -1.031 6.049 1.00 0.00 H new ATOM 0 HA GLN A 28 2.687 -3.624 7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.693 -1.346 7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.491 -2.808 8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.448 -2.312 9.375 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.916 -0.996 8.317 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.947 0.206 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.440 0.932 10.939 1.00 0.00 H new ATOM 466 N SER A 29 0.842 -3.069 4.466 1.00 0.00 N ATOM 467 CA SER A 29 0.001 -3.755 3.483 1.00 0.00 C ATOM 468 C SER A 29 0.745 -4.878 2.761 1.00 0.00 C ATOM 469 O SER A 29 0.182 -5.934 2.606 1.00 0.00 O ATOM 470 CB SER A 29 -0.620 -2.782 2.470 1.00 0.00 C ATOM 471 OG SER A 29 0.295 -2.404 1.460 1.00 0.00 O ATOM 0 H SER A 29 1.134 -2.130 4.196 1.00 0.00 H new ATOM 0 HA SER A 29 -0.810 -4.209 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.493 -3.246 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.970 -1.892 2.992 1.00 0.00 H new ATOM 0 HG SER A 29 1.199 -2.361 1.837 1.00 0.00 H new ATOM 477 N LEU A 30 1.997 -4.685 2.343 1.00 0.00 N ATOM 478 CA LEU A 30 2.769 -5.794 1.732 1.00 0.00 C ATOM 479 C LEU A 30 2.898 -6.863 2.821 1.00 0.00 C ATOM 480 O LEU A 30 2.624 -8.053 2.576 1.00 0.00 O ATOM 481 CB LEU A 30 4.151 -5.361 1.186 1.00 0.00 C ATOM 482 CG LEU A 30 4.984 -4.231 1.810 1.00 0.00 C ATOM 483 CD1 LEU A 30 6.195 -4.819 2.519 1.00 0.00 C ATOM 484 CD2 LEU A 30 5.458 -3.188 0.788 1.00 0.00 C ATOM 0 H LEU A 30 2.497 -3.799 2.409 1.00 0.00 H new ATOM 0 HA LEU A 30 2.247 -6.170 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.780 -6.251 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.999 -5.092 0.141 1.00 0.00 H new ATOM 0 HG LEU A 30 4.330 -3.716 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.784 -4.015 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.863 -5.499 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.807 -5.365 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.040 -2.419 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.078 -3.673 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.593 -2.730 0.308 1.00 0.00 H new ATOM 496 N HIS A 31 3.285 -6.470 4.031 1.00 0.00 N ATOM 497 CA HIS A 31 3.437 -7.489 5.074 1.00 0.00 C ATOM 498 C HIS A 31 2.120 -8.177 5.470 1.00 0.00 C ATOM 499 O HIS A 31 2.108 -9.390 5.709 1.00 0.00 O ATOM 500 CB HIS A 31 4.183 -6.933 6.273 1.00 0.00 C ATOM 501 CG HIS A 31 5.636 -6.692 5.998 1.00 0.00 C ATOM 502 ND1 HIS A 31 6.381 -7.400 5.077 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.505 -5.795 6.538 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.624 -6.935 5.107 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.760 -5.957 5.979 1.00 0.00 N ATOM 0 H HIS A 31 3.490 -5.510 4.309 1.00 0.00 H new ATOM 0 HA HIS A 31 4.043 -8.284 4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.717 -5.997 6.582 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.087 -7.627 7.108 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.037 -8.150 4.478 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.252 -5.064 7.292 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.427 -7.313 4.491 1.00 0.00 H new ATOM 513 N ASP A 32 1.018 -7.444 5.510 1.00 0.00 N ATOM 514 CA ASP A 32 -0.288 -8.052 5.766 1.00 0.00 C ATOM 515 C ASP A 32 -0.586 -8.984 4.617 1.00 0.00 C ATOM 516 O ASP A 32 -1.016 -10.088 4.833 1.00 0.00 O ATOM 517 CB ASP A 32 -1.407 -7.006 5.858 1.00 0.00 C ATOM 518 CG ASP A 32 -2.773 -7.634 6.124 1.00 0.00 C ATOM 519 OD1 ASP A 32 -2.959 -8.235 7.200 1.00 0.00 O ATOM 520 OD2 ASP A 32 -3.674 -7.519 5.257 1.00 0.00 O ATOM 0 H ASP A 32 0.996 -6.434 5.370 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.251 -8.575 6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.174 -6.299 6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.446 -6.438 4.929 1.00 0.00 H new ATOM 525 N LEU A 33 -0.336 -8.546 3.392 1.00 0.00 N ATOM 526 CA LEU A 33 -0.610 -9.368 2.221 1.00 0.00 C ATOM 527 C LEU A 33 0.095 -10.712 2.361 1.00 0.00 C ATOM 528 O LEU A 33 -0.560 -11.759 2.247 1.00 0.00 O ATOM 529 CB LEU A 33 -0.209 -8.633 0.923 1.00 0.00 C ATOM 530 CG LEU A 33 -1.334 -7.751 0.348 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.778 -6.618 -0.531 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.316 -8.608 -0.468 1.00 0.00 C ATOM 0 H LEU A 33 0.055 -7.628 3.182 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.682 -9.554 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.665 -8.012 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.085 -9.368 0.174 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.857 -7.297 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.603 -6.019 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.118 -5.986 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.218 -7.045 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.106 -7.973 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.784 -9.088 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.755 -9.371 0.175 1.00 0.00 H new ATOM 544 N GLN A 34 1.396 -10.730 2.639 1.00 0.00 N ATOM 545 CA GLN A 34 2.040 -12.049 2.791 1.00 0.00 C ATOM 546 C GLN A 34 1.605 -12.811 4.043 1.00 0.00 C ATOM 547 O GLN A 34 1.354 -14.020 3.955 1.00 0.00 O ATOM 548 CB GLN A 34 3.576 -12.023 2.754 1.00 0.00 C ATOM 549 CG GLN A 34 4.267 -10.865 3.471 1.00 0.00 C ATOM 550 CD GLN A 34 4.899 -9.838 2.542 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.759 -9.062 2.971 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.488 -9.814 1.296 1.00 0.00 N ATOM 0 H GLN A 34 1.997 -9.915 2.758 1.00 0.00 H new ATOM 0 HA GLN A 34 1.684 -12.576 1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.941 -12.955 3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.890 -12.011 1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.539 -10.362 4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.039 -11.268 4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.775 -10.472 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.881 -9.137 0.642 1.00 0.00 H new ATOM 561 N GLU A 35 1.521 -12.165 5.202 1.00 0.00 N ATOM 562 CA GLU A 35 1.192 -12.914 6.424 1.00 0.00 C ATOM 563 C GLU A 35 -0.229 -13.464 6.344 1.00 0.00 C ATOM 564 O GLU A 35 -0.476 -14.605 6.722 1.00 0.00 O ATOM 565 CB GLU A 35 1.444 -12.070 7.698 1.00 0.00 C ATOM 566 CG GLU A 35 0.209 -11.562 8.488 1.00 0.00 C ATOM 567 CD GLU A 35 -0.455 -12.656 9.338 1.00 0.00 C ATOM 568 OE1 GLU A 35 0.250 -13.302 10.147 1.00 0.00 O ATOM 569 OE2 GLU A 35 -1.683 -12.870 9.215 1.00 0.00 O ATOM 0 H GLU A 35 1.669 -11.164 5.327 1.00 0.00 H new ATOM 0 HA GLU A 35 1.864 -13.769 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.054 -12.665 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.038 -11.202 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.513 -10.741 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.523 -11.160 7.787 1.00 0.00 H new ATOM 576 N ARG A 36 -1.151 -12.667 5.829 1.00 0.00 N ATOM 577 CA ARG A 36 -2.552 -13.049 5.729 1.00 0.00 C ATOM 578 C ARG A 36 -2.726 -14.115 4.676 1.00 0.00 C ATOM 579 O ARG A 36 -3.506 -15.032 4.866 1.00 0.00 O ATOM 580 CB ARG A 36 -3.363 -11.803 5.403 1.00 0.00 C ATOM 581 CG ARG A 36 -4.825 -11.821 5.717 1.00 0.00 C ATOM 582 CD ARG A 36 -5.269 -10.377 5.596 1.00 0.00 C ATOM 583 NE ARG A 36 -6.650 -10.115 6.013 1.00 0.00 N ATOM 584 CZ ARG A 36 -7.173 -8.898 6.131 1.00 0.00 C ATOM 585 NH1 ARG A 36 -6.478 -7.809 5.903 1.00 0.00 N ATOM 586 NH2 ARG A 36 -8.423 -8.774 6.485 1.00 0.00 N ATOM 0 H ARG A 36 -0.950 -11.735 5.467 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.903 -13.468 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.916 -10.964 5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.252 -11.600 4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.370 -12.461 5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.009 -12.208 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.601 -9.756 6.193 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.153 -10.063 4.559 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.246 -10.915 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.499 -7.878 5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.916 -6.894 6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.986 -9.605 6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.837 -7.846 6.579 1.00 0.00 H new ATOM 600 N LEU A 37 -1.989 -14.028 3.574 1.00 0.00 N ATOM 601 CA LEU A 37 -2.039 -15.088 2.562 1.00 0.00 C ATOM 602 C LEU A 37 -1.478 -16.375 3.163 1.00 0.00 C ATOM 603 O LEU A 37 -2.086 -17.458 3.063 1.00 0.00 O ATOM 604 CB LEU A 37 -1.199 -14.709 1.341 1.00 0.00 C ATOM 605 CG LEU A 37 -1.171 -15.748 0.212 1.00 0.00 C ATOM 606 CD1 LEU A 37 -2.476 -15.725 -0.586 1.00 0.00 C ATOM 607 CD2 LEU A 37 0.019 -15.464 -0.685 1.00 0.00 C ATOM 0 H LEU A 37 -1.361 -13.254 3.357 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.074 -15.227 2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.578 -13.770 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.176 -14.526 1.668 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.072 -16.746 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.430 -16.470 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.312 -15.951 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.617 -14.737 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.050 -16.196 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.074 -14.463 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.938 -15.528 -0.102 1.00 0.00 H new ATOM 619 N HIS A 38 -0.315 -16.255 3.798 1.00 0.00 N ATOM 620 CA HIS A 38 0.344 -17.413 4.393 1.00 0.00 C ATOM 621 C HIS A 38 -0.580 -18.060 5.402 1.00 0.00 C ATOM 622 O HIS A 38 -0.711 -19.266 5.416 1.00 0.00 O ATOM 623 CB HIS A 38 1.665 -17.015 5.061 1.00 0.00 C ATOM 624 CG HIS A 38 2.524 -18.182 5.437 1.00 0.00 C ATOM 625 ND1 HIS A 38 2.376 -18.912 6.621 1.00 0.00 N ATOM 626 CD2 HIS A 38 3.564 -18.780 4.795 1.00 0.00 C ATOM 627 CE1 HIS A 38 3.294 -19.869 6.649 1.00 0.00 C ATOM 628 NE2 HIS A 38 4.009 -19.811 5.562 1.00 0.00 N ATOM 0 H HIS A 38 0.187 -15.375 3.913 1.00 0.00 H new ATOM 0 HA HIS A 38 0.572 -18.126 3.601 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.223 -16.367 4.385 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.448 -16.431 5.956 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.968 -18.485 3.838 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.428 -20.584 7.448 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.778 -20.437 5.324 1.00 0.00 H new ATOM 636 N LYS A 39 -1.227 -17.259 6.232 1.00 0.00 N ATOM 637 CA LYS A 39 -2.169 -17.767 7.225 1.00 0.00 C ATOM 638 C LYS A 39 -3.380 -18.402 6.560 1.00 0.00 C ATOM 639 O LYS A 39 -3.786 -19.499 6.919 1.00 0.00 O ATOM 640 CB LYS A 39 -2.611 -16.617 8.130 1.00 0.00 C ATOM 641 CG LYS A 39 -3.508 -17.054 9.270 1.00 0.00 C ATOM 642 CD LYS A 39 -3.613 -15.978 10.336 1.00 0.00 C ATOM 643 CE LYS A 39 -2.357 -15.947 11.206 1.00 0.00 C ATOM 644 NZ LYS A 39 -1.960 -14.542 11.519 1.00 0.00 N ATOM 0 H LYS A 39 -1.118 -16.245 6.240 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.673 -18.536 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.727 -16.128 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.136 -15.874 7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.501 -17.285 8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.116 -17.970 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.757 -15.006 9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.488 -16.163 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.538 -16.493 12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.541 -16.454 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.935 -14.500 11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.204 -13.926 10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.464 -14.220 12.370 1.00 0.00 H new ATOM 658 N ALA A 40 -3.950 -17.720 5.580 1.00 0.00 N ATOM 659 CA ALA A 40 -5.115 -18.233 4.875 1.00 0.00 C ATOM 660 C ALA A 40 -4.774 -19.561 4.206 1.00 0.00 C ATOM 661 O ALA A 40 -5.617 -20.463 4.128 1.00 0.00 O ATOM 662 CB ALA A 40 -5.603 -17.213 3.838 1.00 0.00 C ATOM 0 H ALA A 40 -3.625 -16.810 5.254 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.919 -18.400 5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.475 -17.611 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.872 -16.284 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.809 -17.019 3.117 1.00 0.00 H new ATOM 668 N GLN A 41 -3.554 -19.722 3.719 1.00 0.00 N ATOM 669 CA GLN A 41 -3.231 -21.014 3.146 1.00 0.00 C ATOM 670 C GLN A 41 -2.941 -22.025 4.269 1.00 0.00 C ATOM 671 O GLN A 41 -3.684 -22.994 4.446 1.00 0.00 O ATOM 672 CB GLN A 41 -2.026 -20.858 2.197 1.00 0.00 C ATOM 673 CG GLN A 41 -1.892 -21.957 1.143 1.00 0.00 C ATOM 674 CD GLN A 41 -1.532 -23.300 1.733 1.00 0.00 C ATOM 675 OE1 GLN A 41 -0.406 -23.525 2.140 1.00 0.00 O ATOM 676 NE2 GLN A 41 -2.478 -24.196 1.769 1.00 0.00 N ATOM 0 H GLN A 41 -2.813 -19.021 3.707 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.075 -21.393 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.103 -19.896 1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.114 -20.832 2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.831 -22.046 0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.130 -21.668 0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.409 -23.969 1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.288 -25.124 2.148 1.00 0.00 H new ATOM 685 N GLU A 42 -1.896 -21.763 5.041 1.00 0.00 N ATOM 686 CA GLU A 42 -1.361 -22.720 6.013 1.00 0.00 C ATOM 687 C GLU A 42 -2.370 -23.183 7.041 1.00 0.00 C ATOM 688 O GLU A 42 -2.392 -24.355 7.407 1.00 0.00 O ATOM 689 CB GLU A 42 -0.149 -22.093 6.710 1.00 0.00 C ATOM 690 CG GLU A 42 0.697 -23.057 7.526 1.00 0.00 C ATOM 691 CD GLU A 42 1.968 -22.387 8.019 1.00 0.00 C ATOM 692 OE1 GLU A 42 1.873 -21.401 8.783 1.00 0.00 O ATOM 693 OE2 GLU A 42 3.076 -22.824 7.626 1.00 0.00 O ATOM 0 H GLU A 42 -1.390 -20.878 5.015 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.076 -23.613 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.485 -21.628 5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.499 -21.296 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.121 -23.421 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.952 -23.925 6.919 1.00 0.00 H new ATOM 700 N GLU A 43 -3.215 -22.278 7.504 1.00 0.00 N ATOM 701 CA GLU A 43 -4.231 -22.661 8.461 1.00 0.00 C ATOM 702 C GLU A 43 -5.526 -23.054 7.758 1.00 0.00 C ATOM 703 O GLU A 43 -6.144 -24.052 8.132 1.00 0.00 O ATOM 704 CB GLU A 43 -4.533 -21.511 9.438 1.00 0.00 C ATOM 705 CG GLU A 43 -3.330 -21.045 10.271 1.00 0.00 C ATOM 706 CD GLU A 43 -3.690 -19.922 11.254 1.00 0.00 C ATOM 707 OE1 GLU A 43 -2.768 -19.382 11.910 1.00 0.00 O ATOM 708 OE2 GLU A 43 -4.886 -19.570 11.366 1.00 0.00 O ATOM 0 H GLU A 43 -3.217 -21.293 7.238 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.842 -23.516 9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.916 -20.662 8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.326 -21.827 10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.927 -21.892 10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.542 -20.698 9.602 1.00 0.00 H new ATOM 715 N HIS A 44 -5.979 -22.263 6.784 1.00 0.00 N ATOM 716 CA HIS A 44 -7.329 -22.514 6.246 1.00 0.00 C ATOM 717 C HIS A 44 -7.490 -23.321 4.965 1.00 0.00 C ATOM 718 O HIS A 44 -8.416 -24.131 4.914 1.00 0.00 O ATOM 719 CB HIS A 44 -8.103 -21.197 6.103 1.00 0.00 C ATOM 720 CG HIS A 44 -9.533 -21.393 5.708 1.00 0.00 C ATOM 721 ND1 HIS A 44 -10.471 -22.021 6.487 1.00 0.00 N ATOM 722 CD2 HIS A 44 -10.194 -21.059 4.564 1.00 0.00 C ATOM 723 CE1 HIS A 44 -11.620 -22.044 5.820 1.00 0.00 C ATOM 724 NE2 HIS A 44 -11.509 -21.470 4.640 1.00 0.00 N ATOM 0 H HIS A 44 -5.470 -21.484 6.366 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.737 -23.180 7.007 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.065 -20.656 7.049 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -7.610 -20.572 5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.753 -20.547 3.721 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.533 -22.480 6.199 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.237 -21.354 3.935 1.00 0.00 H new ATOM 732 N ARG A 45 -6.595 -23.103 3.985 1.00 0.00 N ATOM 733 CA ARG A 45 -6.556 -23.762 2.628 1.00 0.00 C ATOM 734 C ARG A 45 -6.136 -22.775 1.543 1.00 0.00 C ATOM 735 O ARG A 45 -5.152 -23.022 0.852 1.00 0.00 O ATOM 736 CB ARG A 45 -7.905 -24.376 2.173 1.00 0.00 C ATOM 737 CG ARG A 45 -7.924 -25.046 0.805 1.00 0.00 C ATOM 738 CD ARG A 45 -9.376 -25.261 0.400 1.00 0.00 C ATOM 739 NE ARG A 45 -9.531 -26.253 -0.676 1.00 0.00 N ATOM 740 CZ ARG A 45 -10.694 -26.640 -1.189 1.00 0.00 C ATOM 741 NH1 ARG A 45 -11.838 -26.135 -0.792 1.00 0.00 N ATOM 742 NH2 ARG A 45 -10.710 -27.564 -2.110 1.00 0.00 N ATOM 0 H ARG A 45 -5.835 -22.434 4.104 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.830 -24.566 2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.212 -25.111 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.657 -23.587 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.413 -24.424 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.394 -25.998 0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.946 -25.585 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.802 -24.311 0.076 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.683 -26.674 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.855 -25.419 -0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.711 -26.458 -1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.836 -27.981 -2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.597 -27.869 -2.511 1.00 0.00 H new ATOM 756 N THR A 46 -6.907 -21.692 1.403 1.00 0.00 N ATOM 757 CA THR A 46 -6.779 -20.692 0.311 1.00 0.00 C ATOM 758 C THR A 46 -7.214 -21.304 -1.036 1.00 0.00 C ATOM 759 O THR A 46 -6.931 -22.458 -1.334 1.00 0.00 O ATOM 760 CB THR A 46 -5.342 -20.053 0.256 1.00 0.00 C ATOM 761 OG1 THR A 46 -5.217 -19.133 1.331 1.00 0.00 O ATOM 762 CG2 THR A 46 -5.062 -19.282 -1.008 1.00 0.00 C ATOM 0 H THR A 46 -7.659 -21.471 2.056 1.00 0.00 H new ATOM 0 HA THR A 46 -7.457 -19.866 0.527 1.00 0.00 H new ATOM 0 HB THR A 46 -4.637 -20.883 0.308 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.325 -18.727 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.052 -18.873 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.151 -19.947 -1.867 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.780 -18.467 -1.104 1.00 0.00 H new ATOM 770 N VAL A 47 -7.926 -20.527 -1.844 1.00 0.00 N ATOM 771 CA VAL A 47 -8.411 -20.990 -3.151 1.00 0.00 C ATOM 772 C VAL A 47 -7.214 -21.406 -4.002 1.00 0.00 C ATOM 773 O VAL A 47 -7.232 -22.425 -4.691 1.00 0.00 O ATOM 774 CB VAL A 47 -9.224 -19.867 -3.872 1.00 0.00 C ATOM 775 CG1 VAL A 47 -9.670 -20.311 -5.273 1.00 0.00 C ATOM 776 CG2 VAL A 47 -10.463 -19.488 -3.042 1.00 0.00 C ATOM 0 H VAL A 47 -8.185 -19.566 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.076 -21.842 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.570 -19.001 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.233 -19.507 -5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.793 -20.545 -5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.301 -21.196 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.020 -18.705 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.100 -20.364 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.148 -19.126 -2.063 1.00 0.00 H new ATOM 786 N GLU A 48 -6.149 -20.628 -3.929 1.00 0.00 N ATOM 787 CA GLU A 48 -4.911 -20.943 -4.635 1.00 0.00 C ATOM 788 C GLU A 48 -4.043 -21.930 -3.825 1.00 0.00 C ATOM 789 O GLU A 48 -2.834 -21.769 -3.756 1.00 0.00 O ATOM 790 CB GLU A 48 -4.112 -19.662 -4.916 1.00 0.00 C ATOM 791 CG GLU A 48 -4.760 -18.723 -5.909 1.00 0.00 C ATOM 792 CD GLU A 48 -3.915 -17.472 -6.139 1.00 0.00 C ATOM 793 OE1 GLU A 48 -4.398 -16.378 -5.792 1.00 0.00 O ATOM 794 OE2 GLU A 48 -2.772 -17.577 -6.655 1.00 0.00 O ATOM 0 H GLU A 48 -6.113 -19.766 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.179 -21.414 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.961 -19.130 -3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.125 -19.939 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.908 -19.241 -6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.746 -18.434 -5.546 1.00 0.00 H new ATOM 801 N VAL A 49 -4.642 -22.948 -3.218 1.00 0.00 N ATOM 802 CA VAL A 49 -3.864 -23.957 -2.481 1.00 0.00 C ATOM 803 C VAL A 49 -2.829 -24.525 -3.458 1.00 0.00 C ATOM 804 O VAL A 49 -3.181 -24.924 -4.572 1.00 0.00 O ATOM 805 CB VAL A 49 -4.783 -25.074 -1.853 1.00 0.00 C ATOM 806 CG1 VAL A 49 -5.649 -25.772 -2.909 1.00 0.00 C ATOM 807 CG2 VAL A 49 -3.951 -26.108 -1.088 1.00 0.00 C ATOM 0 H VAL A 49 -5.650 -23.103 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.361 -23.503 -1.627 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.451 -24.572 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.265 -26.533 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.292 -25.038 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.007 -26.241 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.611 -26.866 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.244 -26.581 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.406 -25.613 -0.284 1.00 0.00 H new ATOM 817 N GLU A 50 -1.559 -24.493 -3.039 1.00 0.00 N ATOM 818 CA GLU A 50 -0.362 -24.853 -3.849 1.00 0.00 C ATOM 819 C GLU A 50 -0.110 -23.883 -5.026 1.00 0.00 C ATOM 820 O GLU A 50 1.021 -23.459 -5.274 1.00 0.00 O ATOM 821 CB GLU A 50 -0.425 -26.305 -4.356 1.00 0.00 C ATOM 822 CG GLU A 50 -0.478 -27.339 -3.234 1.00 0.00 C ATOM 823 CD GLU A 50 -0.589 -28.761 -3.761 1.00 0.00 C ATOM 824 OE1 GLU A 50 0.325 -29.207 -4.488 1.00 0.00 O ATOM 825 OE2 GLU A 50 -1.591 -29.438 -3.438 1.00 0.00 O ATOM 0 H GLU A 50 -1.314 -24.206 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 50 0.485 -24.761 -3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.304 -26.423 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.447 -26.502 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.418 -27.251 -2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.330 -27.126 -2.588 1.00 0.00 H new ATOM 832 N LYS A 51 -1.176 -23.518 -5.724 1.00 0.00 N ATOM 833 CA LYS A 51 -1.151 -22.616 -6.877 1.00 0.00 C ATOM 834 C LYS A 51 -0.747 -21.189 -6.516 1.00 0.00 C ATOM 835 O LYS A 51 -0.542 -20.362 -7.407 1.00 0.00 O ATOM 836 CB LYS A 51 -2.548 -22.582 -7.507 1.00 0.00 C ATOM 837 CG LYS A 51 -3.049 -23.948 -8.022 1.00 0.00 C ATOM 838 CD LYS A 51 -4.560 -23.931 -8.283 1.00 0.00 C ATOM 839 CE LYS A 51 -5.354 -24.049 -6.976 1.00 0.00 C ATOM 840 NZ LYS A 51 -6.816 -23.790 -7.168 1.00 0.00 N ATOM 0 H LYS A 51 -2.114 -23.850 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.402 -23.001 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.256 -22.203 -6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.542 -21.875 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.523 -24.207 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.814 -24.722 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.832 -23.008 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.825 -24.753 -8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.217 -25.047 -6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.956 -23.343 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.189 -23.277 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.958 -23.218 -8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.318 -24.695 -7.269 1.00 0.00 H new ATOM 854 N VAL A 52 -0.622 -20.907 -5.227 1.00 0.00 N ATOM 855 CA VAL A 52 -0.211 -19.588 -4.749 1.00 0.00 C ATOM 856 C VAL A 52 1.109 -19.186 -5.379 1.00 0.00 C ATOM 857 O VAL A 52 1.287 -18.019 -5.703 1.00 0.00 O ATOM 858 CB VAL A 52 -0.019 -19.536 -3.182 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.281 -19.006 -2.479 1.00 0.00 C ATOM 860 CG2 VAL A 52 0.358 -20.924 -2.604 1.00 0.00 C ATOM 0 H VAL A 52 -0.801 -21.581 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.013 -18.906 -5.031 1.00 0.00 H new ATOM 0 HB VAL A 52 0.804 -18.848 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.115 -18.983 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.499 -17.999 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.124 -19.660 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.481 -20.847 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.434 -21.639 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.292 -21.264 -3.053 1.00 0.00 H new ATOM 870 N HIS A 53 2.019 -20.153 -5.542 1.00 0.00 N ATOM 871 CA HIS A 53 3.381 -19.902 -6.045 1.00 0.00 C ATOM 872 C HIS A 53 3.946 -18.718 -5.266 1.00 0.00 C ATOM 873 O HIS A 53 4.040 -17.613 -5.781 1.00 0.00 O ATOM 874 CB HIS A 53 3.389 -19.610 -7.554 1.00 0.00 C ATOM 875 CG HIS A 53 3.076 -20.802 -8.404 1.00 0.00 C ATOM 876 ND1 HIS A 53 1.810 -21.207 -8.738 1.00 0.00 N ATOM 877 CD2 HIS A 53 3.903 -21.695 -9.014 1.00 0.00 C ATOM 878 CE1 HIS A 53 1.905 -22.285 -9.506 1.00 0.00 C ATOM 879 NE2 HIS A 53 3.160 -22.626 -9.711 1.00 0.00 N ATOM 0 H HIS A 53 1.835 -21.134 -5.330 1.00 0.00 H new ATOM 0 HA HIS A 53 3.994 -20.791 -5.900 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.664 -18.824 -7.766 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.369 -19.223 -7.834 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.943 -20.757 -8.446 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.982 -21.677 -8.960 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.058 -22.817 -9.913 1.00 0.00 H new ATOM 887 N LEU A 54 4.294 -18.953 -4.009 1.00 0.00 N ATOM 888 CA LEU A 54 4.671 -17.870 -3.095 1.00 0.00 C ATOM 889 C LEU A 54 5.671 -16.853 -3.640 1.00 0.00 C ATOM 890 O LEU A 54 5.513 -15.684 -3.384 1.00 0.00 O ATOM 891 CB LEU A 54 5.185 -18.449 -1.771 1.00 0.00 C ATOM 892 CG LEU A 54 4.147 -19.225 -0.934 1.00 0.00 C ATOM 893 CD1 LEU A 54 4.840 -19.865 0.266 1.00 0.00 C ATOM 894 CD2 LEU A 54 3.007 -18.319 -0.444 1.00 0.00 C ATOM 0 H LEU A 54 4.325 -19.884 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 54 3.751 -17.305 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.021 -19.114 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.576 -17.631 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 54 3.709 -19.991 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.108 -20.414 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.612 -20.551 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.295 -19.088 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.300 -18.908 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.417 -17.522 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.494 -17.883 -1.302 1.00 0.00 H new ATOM 906 N GLU A 55 6.675 -17.263 -4.398 1.00 0.00 N ATOM 907 CA GLU A 55 7.627 -16.294 -4.966 1.00 0.00 C ATOM 908 C GLU A 55 6.914 -15.314 -5.913 1.00 0.00 C ATOM 909 O GLU A 55 7.077 -14.089 -5.817 1.00 0.00 O ATOM 910 CB GLU A 55 8.721 -17.036 -5.730 1.00 0.00 C ATOM 911 CG GLU A 55 9.549 -17.968 -4.861 1.00 0.00 C ATOM 912 CD GLU A 55 10.502 -18.807 -5.688 1.00 0.00 C ATOM 913 OE1 GLU A 55 10.009 -19.620 -6.500 1.00 0.00 O ATOM 914 OE2 GLU A 55 11.729 -18.651 -5.540 1.00 0.00 O ATOM 0 H GLU A 55 6.859 -18.237 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 55 8.068 -15.726 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.263 -17.614 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.383 -16.307 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.115 -17.383 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.886 -18.622 -4.295 1.00 0.00 H new ATOM 921 N LYS A 56 6.108 -15.868 -6.815 1.00 0.00 N ATOM 922 CA LYS A 56 5.323 -15.081 -7.775 1.00 0.00 C ATOM 923 C LYS A 56 4.415 -14.155 -6.993 1.00 0.00 C ATOM 924 O LYS A 56 4.311 -12.972 -7.292 1.00 0.00 O ATOM 925 CB LYS A 56 4.470 -16.028 -8.651 1.00 0.00 C ATOM 926 CG LYS A 56 3.383 -15.358 -9.526 1.00 0.00 C ATOM 927 CD LYS A 56 2.024 -16.119 -9.458 1.00 0.00 C ATOM 928 CE LYS A 56 1.240 -15.828 -8.153 1.00 0.00 C ATOM 929 NZ LYS A 56 -0.061 -16.617 -8.024 1.00 0.00 N ATOM 0 H LYS A 56 5.977 -16.876 -6.905 1.00 0.00 H new ATOM 0 HA LYS A 56 5.984 -14.505 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.140 -16.586 -9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.985 -16.754 -7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.238 -14.329 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.724 -15.318 -10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.412 -15.838 -10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.208 -17.191 -9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.878 -16.056 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.014 -14.763 -8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.847 -15.962 -7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.245 -17.131 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.021 -17.296 -7.240 1.00 0.00 H new ATOM 943 N LYS A 57 3.751 -14.709 -5.993 1.00 0.00 N ATOM 944 CA LYS A 57 2.790 -13.948 -5.214 1.00 0.00 C ATOM 945 C LYS A 57 3.449 -12.819 -4.439 1.00 0.00 C ATOM 946 O LYS A 57 2.959 -11.704 -4.463 1.00 0.00 O ATOM 947 CB LYS A 57 2.026 -14.879 -4.276 1.00 0.00 C ATOM 948 CG LYS A 57 0.525 -14.653 -4.311 1.00 0.00 C ATOM 949 CD LYS A 57 0.185 -13.267 -3.801 1.00 0.00 C ATOM 950 CE LYS A 57 -1.272 -13.146 -3.505 1.00 0.00 C ATOM 951 NZ LYS A 57 -1.645 -11.810 -2.918 1.00 0.00 N ATOM 0 H LYS A 57 3.859 -15.681 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 57 2.088 -13.486 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.239 -15.913 -4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.386 -14.735 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.157 -14.772 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.024 -15.405 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.761 -13.056 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.471 -12.522 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.838 -13.304 -4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.563 -13.935 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.662 -11.797 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.104 -11.651 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.427 -11.057 -3.602 1.00 0.00 H new ATOM 965 N LEU A 58 4.562 -13.100 -3.779 1.00 0.00 N ATOM 966 CA LEU A 58 5.291 -12.076 -3.034 1.00 0.00 C ATOM 967 C LEU A 58 5.689 -10.978 -4.000 1.00 0.00 C ATOM 968 O LEU A 58 5.495 -9.799 -3.733 1.00 0.00 O ATOM 969 CB LEU A 58 6.560 -12.665 -2.398 1.00 0.00 C ATOM 970 CG LEU A 58 6.377 -13.543 -1.150 1.00 0.00 C ATOM 971 CD1 LEU A 58 7.648 -14.358 -0.900 1.00 0.00 C ATOM 972 CD2 LEU A 58 6.066 -12.701 0.064 1.00 0.00 C ATOM 0 H LEU A 58 4.983 -14.028 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 58 4.653 -11.687 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.074 -13.257 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.221 -11.839 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 58 5.538 -14.216 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.514 -14.979 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.848 -14.994 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.489 -13.682 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.941 -13.347 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.886 -12.005 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.146 -12.142 -0.107 1.00 0.00 H new ATOM 984 N ARG A 59 6.238 -11.372 -5.141 1.00 0.00 N ATOM 985 CA ARG A 59 6.672 -10.400 -6.141 1.00 0.00 C ATOM 986 C ARG A 59 5.498 -9.496 -6.535 1.00 0.00 C ATOM 987 O ARG A 59 5.633 -8.270 -6.563 1.00 0.00 O ATOM 988 CB ARG A 59 7.248 -11.168 -7.344 1.00 0.00 C ATOM 989 CG ARG A 59 8.017 -10.351 -8.390 1.00 0.00 C ATOM 990 CD ARG A 59 7.119 -9.615 -9.395 1.00 0.00 C ATOM 991 NE ARG A 59 6.082 -10.467 -9.999 1.00 0.00 N ATOM 992 CZ ARG A 59 6.252 -11.349 -10.973 1.00 0.00 C ATOM 993 NH1 ARG A 59 7.418 -11.583 -11.527 1.00 0.00 N ATOM 994 NH2 ARG A 59 5.213 -12.009 -11.392 1.00 0.00 N ATOM 0 H ARG A 59 6.393 -12.347 -5.398 1.00 0.00 H new ATOM 0 HA ARG A 59 7.450 -9.750 -5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.914 -11.943 -6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.425 -11.674 -7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.643 -9.621 -7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.685 -11.017 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.639 -8.775 -8.892 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.741 -9.199 -10.187 1.00 0.00 H new ATOM 0 HE ARG A 59 5.136 -10.368 -9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.244 -11.076 -11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.498 -12.272 -12.274 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.299 -11.841 -10.972 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.312 -12.695 -12.141 1.00 0.00 H new ATOM 1008 N ASP A 60 4.360 -10.099 -6.841 1.00 0.00 N ATOM 1009 CA ASP A 60 3.183 -9.355 -7.297 1.00 0.00 C ATOM 1010 C ASP A 60 2.553 -8.456 -6.230 1.00 0.00 C ATOM 1011 O ASP A 60 2.261 -7.295 -6.497 1.00 0.00 O ATOM 1012 CB ASP A 60 2.106 -10.331 -7.798 1.00 0.00 C ATOM 1013 CG ASP A 60 2.495 -11.020 -9.097 1.00 0.00 C ATOM 1014 OD1 ASP A 60 2.003 -12.135 -9.366 1.00 0.00 O ATOM 1015 OD2 ASP A 60 3.310 -10.448 -9.857 1.00 0.00 O ATOM 0 H ASP A 60 4.220 -11.108 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 60 3.544 -8.706 -8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.921 -11.085 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.171 -9.790 -7.945 1.00 0.00 H new ATOM 1020 N GLU A 61 2.325 -8.985 -5.036 1.00 0.00 N ATOM 1021 CA GLU A 61 1.620 -8.237 -3.988 1.00 0.00 C ATOM 1022 C GLU A 61 2.497 -7.122 -3.395 1.00 0.00 C ATOM 1023 O GLU A 61 2.046 -5.984 -3.191 1.00 0.00 O ATOM 1024 CB GLU A 61 1.104 -9.218 -2.918 1.00 0.00 C ATOM 1025 CG GLU A 61 2.157 -9.749 -1.946 1.00 0.00 C ATOM 1026 CD GLU A 61 1.688 -10.957 -1.160 1.00 0.00 C ATOM 1027 OE1 GLU A 61 2.530 -11.530 -0.433 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.495 -11.346 -1.268 1.00 0.00 O ATOM 0 H GLU A 61 2.614 -9.924 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 61 0.760 -7.731 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.322 -8.722 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.640 -10.066 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.056 -10.013 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.433 -8.956 -1.251 1.00 0.00 H new ATOM 1035 N ILE A 62 3.763 -7.424 -3.146 1.00 0.00 N ATOM 1036 CA ILE A 62 4.685 -6.413 -2.682 1.00 0.00 C ATOM 1037 C ILE A 62 4.846 -5.366 -3.783 1.00 0.00 C ATOM 1038 O ILE A 62 4.933 -4.194 -3.472 1.00 0.00 O ATOM 1039 CB ILE A 62 6.050 -7.012 -2.236 1.00 0.00 C ATOM 1040 CG1 ILE A 62 5.820 -8.090 -1.155 1.00 0.00 C ATOM 1041 CG2 ILE A 62 6.935 -5.921 -1.619 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.080 -8.822 -0.700 1.00 0.00 C ATOM 0 H ILE A 62 4.167 -8.354 -3.258 1.00 0.00 H new ATOM 0 HA ILE A 62 4.277 -5.940 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 62 6.534 -7.440 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.356 -7.621 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.110 -8.823 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.887 -6.355 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.114 -5.138 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.434 -5.494 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.819 -9.559 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.536 -9.326 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.786 -8.105 -0.282 1.00 0.00 H new ATOM 1054 N ASN A 63 4.855 -5.737 -5.064 1.00 0.00 N ATOM 1055 CA ASN A 63 4.910 -4.690 -6.104 1.00 0.00 C ATOM 1056 C ASN A 63 3.623 -3.860 -6.125 1.00 0.00 C ATOM 1057 O ASN A 63 3.650 -2.686 -6.482 1.00 0.00 O ATOM 1058 CB ASN A 63 5.141 -5.253 -7.506 1.00 0.00 C ATOM 1059 CG ASN A 63 6.604 -5.274 -7.892 1.00 0.00 C ATOM 1060 OD1 ASN A 63 7.369 -4.366 -7.577 1.00 0.00 O ATOM 1061 ND2 ASN A 63 6.998 -6.296 -8.584 1.00 0.00 N ATOM 0 H ASN A 63 4.827 -6.699 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 63 5.761 -4.063 -5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.741 -6.266 -7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.587 -4.655 -8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.970 -6.364 -8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.336 -7.032 -8.828 1.00 0.00 H new ATOM 1068 N LEU A 64 2.504 -4.455 -5.737 1.00 0.00 N ATOM 1069 CA LEU A 64 1.236 -3.728 -5.662 1.00 0.00 C ATOM 1070 C LEU A 64 1.354 -2.693 -4.541 1.00 0.00 C ATOM 1071 O LEU A 64 1.063 -1.502 -4.723 1.00 0.00 O ATOM 1072 CB LEU A 64 0.095 -4.711 -5.351 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.353 -4.346 -5.687 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -2.247 -5.374 -4.995 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -1.767 -2.951 -5.270 1.00 0.00 C ATOM 0 H LEU A 64 2.444 -5.437 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 64 1.020 -3.235 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.321 -5.643 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.134 -4.923 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.453 -4.358 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.292 -5.150 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.007 -6.371 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.081 -5.335 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.807 -2.782 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.659 -2.847 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.134 -2.219 -5.771 1.00 0.00 H new ATOM 1087 N ALA A 65 1.797 -3.147 -3.378 1.00 0.00 N ATOM 1088 CA ALA A 65 1.962 -2.249 -2.240 1.00 0.00 C ATOM 1089 C ALA A 65 3.052 -1.200 -2.533 1.00 0.00 C ATOM 1090 O ALA A 65 2.983 -0.064 -2.083 1.00 0.00 O ATOM 1091 CB ALA A 65 2.305 -3.049 -1.022 1.00 0.00 C ATOM 0 H ALA A 65 2.047 -4.119 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 65 1.028 -1.717 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.429 -2.380 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.503 -3.757 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.234 -3.593 -1.194 1.00 0.00 H new ATOM 1097 N LYS A 66 4.050 -1.586 -3.311 1.00 0.00 N ATOM 1098 CA LYS A 66 5.113 -0.673 -3.740 1.00 0.00 C ATOM 1099 C LYS A 66 4.535 0.408 -4.643 1.00 0.00 C ATOM 1100 O LYS A 66 4.960 1.558 -4.578 1.00 0.00 O ATOM 1101 CB LYS A 66 6.183 -1.463 -4.488 1.00 0.00 C ATOM 1102 CG LYS A 66 7.382 -0.676 -4.951 1.00 0.00 C ATOM 1103 CD LYS A 66 8.225 -1.584 -5.816 1.00 0.00 C ATOM 1104 CE LYS A 66 9.458 -0.893 -6.341 1.00 0.00 C ATOM 1105 NZ LYS A 66 10.188 -1.838 -7.245 1.00 0.00 N ATOM 0 H LYS A 66 4.152 -2.537 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 66 5.559 -0.197 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.530 -2.269 -3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.721 -1.929 -5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.068 0.203 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.958 -0.319 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.520 -2.460 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.627 -1.941 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.183 0.012 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.101 -0.587 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.042 -1.374 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.459 -2.689 -6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.570 -2.108 -8.037 1.00 0.00 H new ATOM 1119 N GLN A 67 3.562 0.053 -5.475 1.00 0.00 N ATOM 1120 CA GLN A 67 2.897 1.048 -6.309 1.00 0.00 C ATOM 1121 C GLN A 67 2.198 2.003 -5.360 1.00 0.00 C ATOM 1122 O GLN A 67 2.383 3.206 -5.465 1.00 0.00 O ATOM 1123 CB GLN A 67 1.878 0.424 -7.270 1.00 0.00 C ATOM 1124 CG GLN A 67 1.188 1.468 -8.157 1.00 0.00 C ATOM 1125 CD GLN A 67 0.014 0.908 -8.931 1.00 0.00 C ATOM 1126 OE1 GLN A 67 -0.010 0.958 -10.149 1.00 0.00 O ATOM 1127 NE2 GLN A 67 -0.963 0.388 -8.233 1.00 0.00 N ATOM 0 H GLN A 67 3.220 -0.901 -5.590 1.00 0.00 H new ATOM 0 HA GLN A 67 3.632 1.553 -6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.381 -0.309 -7.901 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.124 -0.114 -6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.844 2.294 -7.535 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.915 1.878 -8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.906 0.364 -7.215 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.781 0.006 -8.707 1.00 0.00 H new ATOM 1136 N GLU A 68 1.415 1.472 -4.427 1.00 0.00 N ATOM 1137 CA GLU A 68 0.758 2.315 -3.423 1.00 0.00 C ATOM 1138 C GLU A 68 1.773 3.218 -2.694 1.00 0.00 C ATOM 1139 O GLU A 68 1.550 4.416 -2.535 1.00 0.00 O ATOM 1140 CB GLU A 68 0.012 1.432 -2.420 1.00 0.00 C ATOM 1141 CG GLU A 68 -0.994 2.187 -1.596 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.763 1.287 -0.643 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -1.784 1.586 0.570 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -2.354 0.290 -1.110 1.00 0.00 O ATOM 0 H GLU A 68 1.219 0.475 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 68 0.047 2.965 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.497 0.632 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.735 0.959 -1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.482 2.962 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.696 2.692 -2.260 1.00 0.00 H new ATOM 1151 N ALA A 69 2.897 2.652 -2.276 1.00 0.00 N ATOM 1152 CA ALA A 69 3.944 3.418 -1.599 1.00 0.00 C ATOM 1153 C ALA A 69 4.480 4.573 -2.467 1.00 0.00 C ATOM 1154 O ALA A 69 4.758 5.661 -1.960 1.00 0.00 O ATOM 1155 CB ALA A 69 5.086 2.483 -1.192 1.00 0.00 C ATOM 0 H ALA A 69 3.111 1.662 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 69 3.502 3.868 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.864 3.057 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.706 1.716 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.503 2.009 -2.081 1.00 0.00 H new ATOM 1161 N GLN A 70 4.615 4.352 -3.769 1.00 0.00 N ATOM 1162 CA GLN A 70 5.067 5.414 -4.674 1.00 0.00 C ATOM 1163 C GLN A 70 4.043 6.547 -4.675 1.00 0.00 C ATOM 1164 O GLN A 70 4.404 7.730 -4.639 1.00 0.00 O ATOM 1165 CB GLN A 70 5.241 4.884 -6.101 1.00 0.00 C ATOM 1166 CG GLN A 70 5.862 5.909 -7.052 1.00 0.00 C ATOM 1167 CD GLN A 70 5.918 5.417 -8.480 1.00 0.00 C ATOM 1168 OE1 GLN A 70 6.375 4.314 -8.752 1.00 0.00 O ATOM 1169 NE2 GLN A 70 5.469 6.230 -9.396 1.00 0.00 N ATOM 0 H GLN A 70 4.422 3.459 -4.223 1.00 0.00 H new ATOM 0 HA GLN A 70 6.032 5.780 -4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.869 3.993 -6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.269 4.579 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.285 6.833 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.870 6.148 -6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.096 7.141 -9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.491 5.954 -10.378 1.00 0.00 H new ATOM 1178 N ARG A 71 2.765 6.186 -4.693 1.00 0.00 N ATOM 1179 CA ARG A 71 1.700 7.187 -4.671 1.00 0.00 C ATOM 1180 C ARG A 71 1.816 7.983 -3.387 1.00 0.00 C ATOM 1181 O ARG A 71 1.640 9.182 -3.388 1.00 0.00 O ATOM 1182 CB ARG A 71 0.304 6.546 -4.733 1.00 0.00 C ATOM 1183 CG ARG A 71 0.047 5.602 -5.903 1.00 0.00 C ATOM 1184 CD ARG A 71 0.230 6.278 -7.234 1.00 0.00 C ATOM 1185 NE ARG A 71 0.019 5.359 -8.362 1.00 0.00 N ATOM 1186 CZ ARG A 71 0.211 5.674 -9.639 1.00 0.00 C ATOM 1187 NH1 ARG A 71 0.605 6.860 -10.020 1.00 0.00 N ATOM 1188 NH2 ARG A 71 0.000 4.766 -10.554 1.00 0.00 N ATOM 0 H ARG A 71 2.441 5.219 -4.722 1.00 0.00 H new ATOM 0 HA ARG A 71 1.814 7.825 -5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.138 5.996 -3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.438 7.344 -4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.724 4.750 -5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.968 5.210 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.466 7.113 -7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.235 6.695 -7.292 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.297 4.413 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.778 7.587 -9.326 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.740 7.059 -11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.307 3.832 -10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.143 4.991 -11.539 1.00 0.00 H new ATOM 1202 N LEU A 72 2.129 7.312 -2.287 1.00 0.00 N ATOM 1203 CA LEU A 72 2.241 7.973 -0.993 1.00 0.00 C ATOM 1204 C LEU A 72 3.511 8.821 -0.917 1.00 0.00 C ATOM 1205 O LEU A 72 3.566 9.794 -0.176 1.00 0.00 O ATOM 1206 CB LEU A 72 2.137 6.934 0.118 1.00 0.00 C ATOM 1207 CG LEU A 72 0.692 6.394 0.175 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.635 4.962 0.627 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.182 7.257 1.084 1.00 0.00 C ATOM 0 H LEU A 72 2.310 6.308 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 72 1.415 8.672 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.836 6.118 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.410 7.379 1.075 1.00 0.00 H new ATOM 0 HG LEU A 72 0.305 6.439 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.403 4.629 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.201 4.339 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.066 4.878 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.194 6.853 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.230 7.256 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.206 8.278 0.703 1.00 0.00 H new ATOM 1221 N LYS A 73 4.516 8.487 -1.713 1.00 0.00 N ATOM 1222 CA LYS A 73 5.714 9.328 -1.829 1.00 0.00 C ATOM 1223 C LYS A 73 5.359 10.584 -2.638 1.00 0.00 C ATOM 1224 O LYS A 73 5.709 11.710 -2.255 1.00 0.00 O ATOM 1225 CB LYS A 73 6.857 8.530 -2.495 1.00 0.00 C ATOM 1226 CG LYS A 73 8.083 9.346 -2.960 1.00 0.00 C ATOM 1227 CD LYS A 73 7.936 9.789 -4.428 1.00 0.00 C ATOM 1228 CE LYS A 73 9.191 10.431 -4.975 1.00 0.00 C ATOM 1229 NZ LYS A 73 8.896 11.024 -6.324 1.00 0.00 N ATOM 0 H LYS A 73 4.533 7.645 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 73 6.059 9.633 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.199 7.771 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.449 8.004 -3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.202 10.223 -2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.986 8.746 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.680 8.924 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.108 10.493 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.544 11.205 -4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.987 9.691 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.772 11.407 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.513 10.288 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.198 11.788 -6.222 1.00 0.00 H new ATOM 1243 N GLU A 74 4.670 10.402 -3.755 1.00 0.00 N ATOM 1244 CA GLU A 74 4.324 11.548 -4.600 1.00 0.00 C ATOM 1245 C GLU A 74 3.336 12.445 -3.851 1.00 0.00 C ATOM 1246 O GLU A 74 3.365 13.668 -3.969 1.00 0.00 O ATOM 1247 CB GLU A 74 3.821 11.078 -5.968 1.00 0.00 C ATOM 1248 CG GLU A 74 4.978 10.449 -6.768 1.00 0.00 C ATOM 1249 CD GLU A 74 4.639 10.119 -8.211 1.00 0.00 C ATOM 1250 OE1 GLU A 74 4.223 11.029 -8.960 1.00 0.00 O ATOM 1251 OE2 GLU A 74 4.829 8.941 -8.608 1.00 0.00 O ATOM 0 H GLU A 74 4.344 9.498 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 74 5.208 12.151 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.019 10.351 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.402 11.920 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.826 11.133 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.297 9.536 -6.265 1.00 0.00 H new ATOM 1258 N LEU A 75 2.497 11.834 -3.031 1.00 0.00 N ATOM 1259 CA LEU A 75 1.618 12.578 -2.142 1.00 0.00 C ATOM 1260 C LEU A 75 2.427 13.356 -1.102 1.00 0.00 C ATOM 1261 O LEU A 75 2.178 14.545 -0.890 1.00 0.00 O ATOM 1262 CB LEU A 75 0.688 11.613 -1.405 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.619 11.213 -2.094 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.167 9.940 -1.474 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.647 12.319 -1.957 1.00 0.00 C ATOM 0 H LEU A 75 2.405 10.820 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 75 1.040 13.276 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.249 10.702 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.436 12.060 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.413 11.043 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.097 9.664 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.440 9.136 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.358 10.105 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.571 12.020 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.844 12.504 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.266 13.229 -2.420 1.00 0.00 H new ATOM 1277 N ARG A 76 3.382 12.697 -0.445 1.00 0.00 N ATOM 1278 CA ARG A 76 4.153 13.337 0.637 1.00 0.00 C ATOM 1279 C ARG A 76 5.058 14.451 0.167 1.00 0.00 C ATOM 1280 O ARG A 76 5.505 15.256 0.983 1.00 0.00 O ATOM 1281 CB ARG A 76 4.955 12.311 1.461 1.00 0.00 C ATOM 1282 CG ARG A 76 6.328 11.944 0.901 1.00 0.00 C ATOM 1283 CD ARG A 76 7.457 12.616 1.658 1.00 0.00 C ATOM 1284 NE ARG A 76 8.590 12.888 0.758 1.00 0.00 N ATOM 1285 CZ ARG A 76 9.025 14.095 0.405 1.00 0.00 C ATOM 1286 NH1 ARG A 76 8.484 15.203 0.850 1.00 0.00 N ATOM 1287 NH2 ARG A 76 10.029 14.186 -0.421 1.00 0.00 N ATOM 0 H ARG A 76 3.643 11.730 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 76 3.401 13.794 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.087 12.704 2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.363 11.400 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.458 10.863 0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.378 12.230 -0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.103 13.548 2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.782 11.978 2.480 1.00 0.00 H new ATOM 0 HE ARG A 76 9.083 12.083 0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.695 15.162 1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.852 16.106 0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.468 13.340 -0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.376 15.103 -0.703 1.00 0.00 H new ATOM 1301 N GLU A 77 5.331 14.523 -1.128 1.00 0.00 N ATOM 1302 CA GLU A 77 6.119 15.646 -1.644 1.00 0.00 C ATOM 1303 C GLU A 77 5.199 16.746 -2.196 1.00 0.00 C ATOM 1304 O GLU A 77 5.662 17.741 -2.761 1.00 0.00 O ATOM 1305 CB GLU A 77 7.189 15.168 -2.632 1.00 0.00 C ATOM 1306 CG GLU A 77 6.689 14.583 -3.931 1.00 0.00 C ATOM 1307 CD GLU A 77 7.784 13.816 -4.674 1.00 0.00 C ATOM 1308 OE1 GLU A 77 8.894 13.617 -4.111 1.00 0.00 O ATOM 1309 OE2 GLU A 77 7.543 13.393 -5.821 1.00 0.00 O ATOM 0 H GLU A 77 5.032 13.843 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 77 6.671 16.102 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.840 16.011 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.804 14.418 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.852 13.915 -3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.312 15.383 -4.567 1.00 0.00 H new ATOM 1316 N GLY A 78 3.898 16.575 -1.984 1.00 0.00 N ATOM 1317 CA GLY A 78 2.925 17.600 -2.328 1.00 0.00 C ATOM 1318 C GLY A 78 2.779 18.582 -1.171 1.00 0.00 C ATOM 1319 O GLY A 78 3.343 18.373 -0.103 1.00 0.00 O ATOM 0 H GLY A 78 3.494 15.733 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.242 18.128 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.962 17.140 -2.551 1.00 0.00 H new ATOM 1323 N THR A 79 2.032 19.661 -1.367 1.00 0.00 N ATOM 1324 CA THR A 79 1.879 20.690 -0.328 1.00 0.00 C ATOM 1325 C THR A 79 0.408 21.123 -0.247 1.00 0.00 C ATOM 1326 O THR A 79 -0.419 20.605 -0.984 1.00 0.00 O ATOM 1327 CB THR A 79 2.843 21.890 -0.601 1.00 0.00 C ATOM 1328 OG1 THR A 79 2.880 22.758 0.536 1.00 0.00 O ATOM 1329 CG2 THR A 79 2.428 22.697 -1.831 1.00 0.00 C ATOM 0 H THR A 79 1.522 19.852 -2.229 1.00 0.00 H new ATOM 0 HA THR A 79 2.157 20.280 0.643 1.00 0.00 H new ATOM 0 HB THR A 79 3.831 21.470 -0.789 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.487 23.506 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.128 23.519 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.435 22.051 -2.709 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.425 23.097 -1.683 1.00 0.00 H new ATOM 1337 N GLU A 80 0.083 22.052 0.649 1.00 0.00 N ATOM 1338 CA GLU A 80 -1.310 22.483 0.866 1.00 0.00 C ATOM 1339 C GLU A 80 -1.941 23.133 -0.369 1.00 0.00 C ATOM 1340 O GLU A 80 -3.154 23.080 -0.557 1.00 0.00 O ATOM 1341 CB GLU A 80 -1.388 23.437 2.079 1.00 0.00 C ATOM 1342 CG GLU A 80 -1.531 24.942 1.750 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.452 25.848 2.987 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -0.841 25.454 4.003 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -1.992 26.977 2.946 1.00 0.00 O ATOM 0 H GLU A 80 0.763 22.527 1.242 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.890 21.582 1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.235 23.138 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.490 23.301 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.748 25.229 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.484 25.107 1.248 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.123 23.735 -1.219 1.00 0.00 N ATOM 1353 CA ASN A 81 -1.634 24.359 -2.429 1.00 0.00 C ATOM 1354 C ASN A 81 -1.713 23.349 -3.552 1.00 0.00 C ATOM 1355 O ASN A 81 -0.749 23.148 -4.305 1.00 0.00 O ATOM 1356 CB ASN A 81 -0.769 25.539 -2.870 1.00 0.00 C ATOM 1357 CG ASN A 81 -1.388 26.313 -4.026 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -1.988 25.752 -4.936 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -1.252 27.609 -3.984 1.00 0.00 N ATOM 0 H ASN A 81 -0.113 23.804 -1.095 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.632 24.733 -2.200 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.619 26.211 -2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.215 25.174 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.651 28.188 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.747 28.044 -3.212 1.00 0.00 H new ATOM 1366 N GLU A 82 -2.871 22.734 -3.687 1.00 0.00 N ATOM 1367 CA GLU A 82 -3.128 21.886 -4.829 1.00 0.00 C ATOM 1368 C GLU A 82 -3.577 22.811 -5.967 1.00 0.00 C ATOM 1369 O GLU A 82 -4.769 22.994 -6.228 1.00 0.00 O ATOM 1370 CB GLU A 82 -4.173 20.815 -4.512 1.00 0.00 C ATOM 1371 CG GLU A 82 -4.281 19.784 -5.618 1.00 0.00 C ATOM 1372 CD GLU A 82 -5.192 18.631 -5.263 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -4.788 17.472 -5.481 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -6.323 18.868 -4.781 1.00 0.00 O ATOM 0 H GLU A 82 -3.643 22.806 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.232 21.336 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.912 20.319 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.143 21.288 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.651 20.267 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.287 19.398 -5.846 1.00 0.00 H new ATOM 1479 N TYR A 88 -3.259 16.314 -9.732 1.00 0.00 N ATOM 1480 CA TYR A 88 -2.835 14.928 -9.709 1.00 0.00 C ATOM 1481 C TYR A 88 -2.355 14.504 -8.310 1.00 0.00 C ATOM 1482 O TYR A 88 -2.277 13.331 -8.033 1.00 0.00 O ATOM 1483 CB TYR A 88 -1.744 14.693 -10.764 1.00 0.00 C ATOM 1484 CG TYR A 88 -0.359 14.424 -10.205 1.00 0.00 C ATOM 1485 CD1 TYR A 88 0.122 13.100 -10.091 1.00 0.00 C ATOM 1486 CD2 TYR A 88 0.483 15.481 -9.798 1.00 0.00 C ATOM 1487 CE1 TYR A 88 1.422 12.837 -9.584 1.00 0.00 C ATOM 1488 CE2 TYR A 88 1.785 15.216 -9.285 1.00 0.00 C ATOM 1489 CZ TYR A 88 2.240 13.894 -9.191 1.00 0.00 C ATOM 1490 OH TYR A 88 3.498 13.640 -8.714 1.00 0.00 O ATOM 0 HA TYR A 88 -3.696 14.306 -9.953 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.038 13.849 -11.387 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.694 15.567 -11.414 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.508 12.277 -10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.137 16.501 -9.876 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.776 11.820 -9.503 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.419 16.031 -8.970 1.00 0.00 H new ATOM 0 HH TYR A 88 3.705 12.689 -8.827 1.00 0.00 H new ATOM 1500 N ALA A 89 -2.039 15.443 -7.421 1.00 0.00 N ATOM 1501 CA ALA A 89 -1.517 15.051 -6.114 1.00 0.00 C ATOM 1502 C ALA A 89 -2.534 14.256 -5.273 1.00 0.00 C ATOM 1503 O ALA A 89 -2.258 13.134 -4.891 1.00 0.00 O ATOM 1504 CB ALA A 89 -1.061 16.302 -5.348 1.00 0.00 C ATOM 0 H ALA A 89 -2.131 16.448 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.671 14.386 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.672 16.010 -4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.280 16.810 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.908 16.975 -5.214 1.00 0.00 H new ATOM 1510 N GLU A 90 -3.717 14.789 -5.005 1.00 0.00 N ATOM 1511 CA GLU A 90 -4.696 14.028 -4.213 1.00 0.00 C ATOM 1512 C GLU A 90 -5.322 12.960 -5.102 1.00 0.00 C ATOM 1513 O GLU A 90 -5.911 11.992 -4.625 1.00 0.00 O ATOM 1514 CB GLU A 90 -5.734 14.920 -3.534 1.00 0.00 C ATOM 1515 CG GLU A 90 -5.144 15.755 -2.370 1.00 0.00 C ATOM 1516 CD GLU A 90 -4.536 14.895 -1.237 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -5.258 14.073 -0.630 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -3.329 15.053 -0.939 1.00 0.00 O ATOM 0 H GLU A 90 -4.024 15.713 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.178 13.540 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.167 15.593 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.546 14.300 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.374 16.419 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.928 16.388 -1.954 1.00 0.00 H new ATOM 1525 N GLU A 91 -5.173 13.118 -6.406 1.00 0.00 N ATOM 1526 CA GLU A 91 -5.565 12.057 -7.323 1.00 0.00 C ATOM 1527 C GLU A 91 -4.677 10.839 -7.007 1.00 0.00 C ATOM 1528 O GLU A 91 -5.111 9.710 -7.159 1.00 0.00 O ATOM 1529 CB GLU A 91 -5.383 12.488 -8.774 1.00 0.00 C ATOM 1530 CG GLU A 91 -6.034 11.581 -9.789 1.00 0.00 C ATOM 1531 CD GLU A 91 -5.442 11.788 -11.169 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -5.569 12.911 -11.721 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -4.838 10.832 -11.702 1.00 0.00 O ATOM 0 H GLU A 91 -4.791 13.953 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.620 11.816 -7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.787 13.493 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.316 12.546 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.905 10.542 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.106 11.774 -9.818 1.00 0.00 H new ATOM 1540 N GLU A 92 -3.446 11.046 -6.535 1.00 0.00 N ATOM 1541 CA GLU A 92 -2.609 9.899 -6.177 1.00 0.00 C ATOM 1542 C GLU A 92 -3.201 9.189 -4.954 1.00 0.00 C ATOM 1543 O GLU A 92 -2.964 8.009 -4.750 1.00 0.00 O ATOM 1544 CB GLU A 92 -1.142 10.276 -5.926 1.00 0.00 C ATOM 1545 CG GLU A 92 -0.364 10.694 -7.178 1.00 0.00 C ATOM 1546 CD GLU A 92 -0.093 9.534 -8.126 1.00 0.00 C ATOM 1547 OE1 GLU A 92 1.068 9.078 -8.186 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.029 9.059 -8.813 1.00 0.00 O ATOM 0 H GLU A 92 -3.018 11.961 -6.395 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.606 9.224 -7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.109 11.093 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.636 9.426 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.925 11.465 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.584 11.140 -6.878 1.00 0.00 H new ATOM 1555 N LEU A 93 -3.999 9.889 -4.155 1.00 0.00 N ATOM 1556 CA LEU A 93 -4.683 9.258 -3.020 1.00 0.00 C ATOM 1557 C LEU A 93 -5.841 8.421 -3.561 1.00 0.00 C ATOM 1558 O LEU A 93 -6.164 7.368 -3.020 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.209 10.299 -2.020 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.713 9.735 -0.680 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -4.565 9.164 0.167 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.427 10.836 0.099 1.00 0.00 C ATOM 0 H LEU A 93 -4.190 10.885 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.971 8.630 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.414 11.016 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.022 10.851 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.403 8.920 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.963 8.776 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.075 8.359 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.842 9.952 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.784 10.437 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.734 11.656 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.273 11.203 -0.482 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.453 8.867 -4.647 1.00 0.00 N ATOM 1575 CA GLU A 94 -7.492 8.056 -5.298 1.00 0.00 C ATOM 1576 C GLU A 94 -6.799 6.812 -5.891 1.00 0.00 C ATOM 1577 O GLU A 94 -7.338 5.709 -5.878 1.00 0.00 O ATOM 1578 CB GLU A 94 -8.226 8.861 -6.383 1.00 0.00 C ATOM 1579 CG GLU A 94 -9.513 8.202 -6.910 1.00 0.00 C ATOM 1580 CD GLU A 94 -10.730 8.431 -6.004 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -10.661 8.139 -4.789 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -11.776 8.894 -6.515 1.00 0.00 O ATOM 0 H GLU A 94 -6.261 9.763 -5.094 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.250 7.756 -4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.475 9.844 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.546 9.021 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.731 8.592 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.346 7.130 -7.017 1.00 0.00 H new ATOM 1589 N GLN A 95 -5.578 6.983 -6.377 1.00 0.00 N ATOM 1590 CA GLN A 95 -4.788 5.853 -6.864 1.00 0.00 C ATOM 1591 C GLN A 95 -4.411 4.906 -5.705 1.00 0.00 C ATOM 1592 O GLN A 95 -4.330 3.698 -5.903 1.00 0.00 O ATOM 1593 CB GLN A 95 -3.519 6.346 -7.567 1.00 0.00 C ATOM 1594 CG GLN A 95 -3.587 6.392 -9.098 1.00 0.00 C ATOM 1595 CD GLN A 95 -4.460 7.510 -9.654 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -5.651 7.327 -9.855 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -3.866 8.648 -9.924 1.00 0.00 N ATOM 0 H GLN A 95 -5.111 7.887 -6.446 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.398 5.302 -7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.287 7.346 -7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.690 5.700 -7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.577 6.506 -9.492 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.965 5.437 -9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.869 8.759 -9.741 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.401 9.422 -10.317 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.197 5.439 -4.503 1.00 0.00 N ATOM 1607 CA VAL A 96 -3.934 4.606 -3.307 1.00 0.00 C ATOM 1608 C VAL A 96 -5.183 3.792 -3.002 1.00 0.00 C ATOM 1609 O VAL A 96 -5.113 2.598 -2.713 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.580 5.483 -2.045 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.708 4.687 -0.729 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.182 6.038 -2.162 1.00 0.00 C ATOM 0 H VAL A 96 -4.198 6.443 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.081 3.962 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.300 6.301 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.454 5.332 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.732 4.331 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.028 3.835 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.955 6.640 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.469 5.216 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.110 6.659 -3.055 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.336 4.439 -3.086 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.611 3.768 -2.849 1.00 0.00 C ATOM 1624 C ARG A 97 -7.760 2.603 -3.816 1.00 0.00 C ATOM 1625 O ARG A 97 -8.171 1.526 -3.416 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.748 4.779 -3.022 1.00 0.00 C ATOM 1627 CG ARG A 97 -10.148 4.210 -3.022 1.00 0.00 C ATOM 1628 CD ARG A 97 -11.072 5.283 -3.537 1.00 0.00 C ATOM 1629 NE ARG A 97 -12.452 4.821 -3.720 1.00 0.00 N ATOM 1630 CZ ARG A 97 -13.415 5.537 -4.289 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -13.214 6.747 -4.748 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -14.605 5.017 -4.408 1.00 0.00 N ATOM 0 H ARG A 97 -6.418 5.429 -3.317 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.647 3.373 -1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.677 5.516 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.594 5.312 -3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.201 3.323 -3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.438 3.904 -2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.066 6.122 -2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.691 5.655 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.688 3.886 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.290 7.173 -4.675 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.981 7.263 -5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.786 4.073 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.355 5.554 -4.843 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.418 2.803 -5.078 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.508 1.721 -6.063 1.00 0.00 C ATOM 1648 C GLU A 98 -6.418 0.654 -5.858 1.00 0.00 C ATOM 1649 O GLU A 98 -6.640 -0.521 -6.147 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.452 2.288 -7.482 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.726 3.055 -7.870 1.00 0.00 C ATOM 1652 CD GLU A 98 -9.979 2.175 -7.827 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -10.027 1.160 -8.556 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -10.921 2.485 -7.062 1.00 0.00 O ATOM 0 H GLU A 98 -7.079 3.691 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.468 1.226 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.593 2.953 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.296 1.472 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.857 3.900 -7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.608 3.464 -8.873 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.259 1.040 -5.341 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.203 0.074 -5.017 1.00 0.00 C ATOM 1663 C ALA A 99 -4.727 -0.839 -3.894 1.00 0.00 C ATOM 1664 O ALA A 99 -4.674 -2.071 -3.988 1.00 0.00 O ATOM 1665 CB ALA A 99 -2.934 0.799 -4.584 1.00 0.00 C ATOM 0 H ALA A 99 -5.021 2.010 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.952 -0.524 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.160 0.069 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.589 1.443 -5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.144 1.404 -3.702 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.258 -0.224 -2.846 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.819 -0.970 -1.722 1.00 0.00 C ATOM 1673 C LEU A 100 -6.997 -1.826 -2.185 1.00 0.00 C ATOM 1674 O LEU A 100 -7.158 -2.967 -1.765 1.00 0.00 O ATOM 1675 CB LEU A 100 -6.266 0.008 -0.629 1.00 0.00 C ATOM 1676 CG LEU A 100 -6.751 -0.619 0.689 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.636 -1.407 1.384 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -7.256 0.488 1.612 1.00 0.00 C ATOM 0 H LEU A 100 -5.313 0.790 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.054 -1.633 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.433 0.675 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.070 0.626 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.556 -1.318 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.017 -1.835 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.293 -2.208 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.804 -0.740 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.602 0.051 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.447 1.189 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.080 1.015 1.131 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.812 -1.279 -3.075 1.00 0.00 N ATOM 1691 CA ARG A 101 -8.949 -2.007 -3.648 1.00 0.00 C ATOM 1692 C ARG A 101 -8.475 -3.224 -4.432 1.00 0.00 C ATOM 1693 O ARG A 101 -9.117 -4.266 -4.419 1.00 0.00 O ATOM 1694 CB ARG A 101 -9.726 -1.071 -4.570 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.024 -1.619 -5.102 1.00 0.00 C ATOM 1696 CD ARG A 101 -11.546 -0.650 -6.134 1.00 0.00 C ATOM 1697 NE ARG A 101 -12.834 -1.064 -6.701 1.00 0.00 N ATOM 1698 CZ ARG A 101 -13.434 -0.465 -7.724 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -12.912 0.565 -8.341 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -14.586 -0.918 -8.135 1.00 0.00 N ATOM 0 H ARG A 101 -7.710 -0.325 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.591 -2.353 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.935 -0.148 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.089 -0.809 -5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.870 -2.603 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.746 -1.743 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.654 0.335 -5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.815 -0.552 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.301 -1.867 -6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.011 0.937 -8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.406 0.996 -9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.013 -1.721 -7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.060 -0.470 -8.919 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.343 -3.116 -5.111 1.00 0.00 N ATOM 1715 CA LYS A 102 -6.798 -4.263 -5.835 1.00 0.00 C ATOM 1716 C LYS A 102 -6.332 -5.314 -4.834 1.00 0.00 C ATOM 1717 O LYS A 102 -6.529 -6.499 -5.064 1.00 0.00 O ATOM 1718 CB LYS A 102 -5.652 -3.845 -6.761 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.108 -4.998 -7.607 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.016 -4.520 -8.552 1.00 0.00 C ATOM 1721 CE LYS A 102 -3.338 -5.694 -9.272 1.00 0.00 C ATOM 1722 NZ LYS A 102 -2.507 -6.548 -8.343 1.00 0.00 N ATOM 0 H LYS A 102 -6.789 -2.262 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.581 -4.686 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.999 -3.051 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.842 -3.430 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.713 -5.776 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.919 -5.445 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.443 -3.839 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.270 -3.956 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.100 -6.314 -9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.703 -5.308 -10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.941 -7.218 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.874 -5.940 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.134 -7.075 -7.702 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.738 -4.891 -3.725 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.309 -5.836 -2.688 1.00 0.00 C ATOM 1738 C ALA A 103 -6.541 -6.535 -2.081 1.00 0.00 C ATOM 1739 O ALA A 103 -6.544 -7.749 -1.863 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.508 -5.101 -1.600 1.00 0.00 C ATOM 0 H ALA A 103 -5.542 -3.912 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.663 -6.592 -3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.195 -5.812 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.628 -4.637 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.132 -4.332 -1.146 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.586 -5.757 -1.834 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.853 -6.278 -1.312 1.00 0.00 C ATOM 1748 C GLU A 104 -9.427 -7.310 -2.284 1.00 0.00 C ATOM 1749 O GLU A 104 -9.843 -8.398 -1.885 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.841 -5.113 -1.145 1.00 0.00 C ATOM 1751 CG GLU A 104 -11.225 -5.499 -0.640 1.00 0.00 C ATOM 1752 CD GLU A 104 -12.200 -4.327 -0.716 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -12.450 -3.826 -1.840 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -12.724 -3.913 0.341 1.00 0.00 O ATOM 0 H GLU A 104 -7.585 -4.749 -1.988 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.685 -6.757 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.409 -4.389 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.950 -4.611 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.609 -6.331 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.153 -5.846 0.391 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.437 -6.969 -3.566 1.00 0.00 N ATOM 1762 CA LYS A 105 -9.945 -7.867 -4.602 1.00 0.00 C ATOM 1763 C LYS A 105 -9.109 -9.135 -4.675 1.00 0.00 C ATOM 1764 O LYS A 105 -9.650 -10.224 -4.880 1.00 0.00 O ATOM 1765 CB LYS A 105 -9.945 -7.145 -5.961 1.00 0.00 C ATOM 1766 CG LYS A 105 -10.476 -7.963 -7.163 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.020 -8.015 -7.266 1.00 0.00 C ATOM 1768 CE LYS A 105 -12.689 -9.037 -6.330 1.00 0.00 C ATOM 1769 NZ LYS A 105 -12.157 -10.435 -6.482 1.00 0.00 N ATOM 0 H LYS A 105 -9.098 -6.073 -3.917 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.966 -8.151 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.545 -6.240 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.925 -6.830 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.076 -7.536 -8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.094 -8.981 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.419 -7.025 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.295 -8.249 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.551 -8.716 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.762 -9.043 -6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.898 -11.118 -6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.869 -10.591 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.336 -10.564 -5.857 1.00 0.00 H new ATOM 1783 N GLU A 106 -7.806 -9.002 -4.501 1.00 0.00 N ATOM 1784 CA GLU A 106 -6.920 -10.158 -4.503 1.00 0.00 C ATOM 1785 C GLU A 106 -7.253 -11.044 -3.314 1.00 0.00 C ATOM 1786 O GLU A 106 -7.488 -12.232 -3.485 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.451 -9.726 -4.451 1.00 0.00 C ATOM 1788 CG GLU A 106 -4.747 -9.879 -5.788 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.297 -9.421 -5.745 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -2.489 -9.988 -4.972 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -2.960 -8.484 -6.509 1.00 0.00 O ATOM 0 H GLU A 106 -7.336 -8.108 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.069 -10.715 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.394 -8.685 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.929 -10.319 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.784 -10.924 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.283 -9.305 -6.544 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.300 -10.475 -2.115 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.589 -11.259 -0.909 1.00 0.00 C ATOM 1800 C LEU A 107 -8.926 -11.991 -1.036 1.00 0.00 C ATOM 1801 O LEU A 107 -9.046 -13.183 -0.693 1.00 0.00 O ATOM 1802 CB LEU A 107 -7.611 -10.336 0.312 1.00 0.00 C ATOM 1803 CG LEU A 107 -7.846 -11.022 1.668 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -6.689 -11.957 2.045 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -8.022 -9.955 2.739 1.00 0.00 C ATOM 0 H LEU A 107 -7.144 -9.481 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.805 -12.006 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.662 -9.802 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.391 -9.589 0.165 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.745 -11.633 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.896 -12.421 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.584 -12.731 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.764 -11.384 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.189 -10.433 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.124 -9.339 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.879 -9.328 2.491 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.920 -11.284 -1.548 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.240 -11.858 -1.764 1.00 0.00 C ATOM 1819 C GLU A 108 -11.103 -13.078 -2.674 1.00 0.00 C ATOM 1820 O GLU A 108 -11.643 -14.141 -2.375 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.169 -10.800 -2.380 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.604 -11.257 -2.602 1.00 0.00 C ATOM 1823 CD GLU A 108 -13.914 -11.451 -4.079 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -14.756 -10.703 -4.619 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -13.296 -12.326 -4.724 1.00 0.00 O ATOM 0 H GLU A 108 -9.838 -10.305 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.678 -12.176 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.178 -9.924 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.752 -10.484 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.774 -12.193 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.289 -10.521 -2.181 1.00 0.00 H new ATOM 1832 N SER A 109 -10.360 -12.940 -3.766 1.00 0.00 N ATOM 1833 CA SER A 109 -10.179 -14.041 -4.715 1.00 0.00 C ATOM 1834 C SER A 109 -9.395 -15.211 -4.118 1.00 0.00 C ATOM 1835 O SER A 109 -9.598 -16.358 -4.511 1.00 0.00 O ATOM 1836 CB SER A 109 -9.491 -13.543 -5.991 1.00 0.00 C ATOM 1837 OG SER A 109 -8.136 -13.181 -5.775 1.00 0.00 O ATOM 0 H SER A 109 -9.873 -12.080 -4.019 1.00 0.00 H new ATOM 0 HA SER A 109 -11.175 -14.411 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.538 -14.322 -6.752 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.035 -12.683 -6.381 1.00 0.00 H new ATOM 0 HG SER A 109 -8.031 -12.834 -4.864 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.517 -14.938 -3.160 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.747 -16.000 -2.514 1.00 0.00 C ATOM 1845 C HIS A 110 -8.621 -16.719 -1.491 1.00 0.00 C ATOM 1846 O HIS A 110 -8.276 -17.811 -1.038 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.539 -15.447 -1.736 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.653 -14.529 -2.522 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.291 -14.704 -3.835 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -5.022 -13.387 -2.134 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.515 -13.687 -4.189 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.307 -12.858 -3.185 1.00 0.00 N ATOM 0 H HIS A 110 -8.320 -13.999 -2.814 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.406 -16.664 -3.308 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.903 -14.914 -0.858 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.942 -16.285 -1.376 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -5.570 -15.481 -4.434 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -5.075 -12.958 -1.144 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.104 -13.555 -5.179 1.00 0.00 H new ATOM 1860 N SER A 111 -9.735 -16.106 -1.107 1.00 0.00 N ATOM 1861 CA SER A 111 -10.589 -16.659 -0.047 1.00 0.00 C ATOM 1862 C SER A 111 -12.004 -17.144 -0.409 1.00 0.00 C ATOM 1863 O SER A 111 -12.549 -17.995 0.286 1.00 0.00 O ATOM 1864 CB SER A 111 -10.762 -15.562 0.994 1.00 0.00 C ATOM 1865 OG SER A 111 -11.264 -14.390 0.368 1.00 0.00 O ATOM 0 H SER A 111 -10.072 -15.230 -1.507 1.00 0.00 H new ATOM 0 HA SER A 111 -10.067 -17.562 0.268 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.447 -15.892 1.775 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.808 -15.349 1.476 1.00 0.00 H new ATOM 0 HG SER A 111 -10.526 -13.903 -0.054 1.00 0.00 H new ATOM 1871 N SER A 112 -12.614 -16.592 -1.447 1.00 0.00 N ATOM 1872 CA SER A 112 -14.045 -16.816 -1.703 1.00 0.00 C ATOM 1873 C SER A 112 -14.594 -18.214 -2.005 1.00 0.00 C ATOM 1874 O SER A 112 -15.575 -18.614 -1.381 1.00 0.00 O ATOM 1875 CB SER A 112 -14.498 -15.906 -2.841 1.00 0.00 C ATOM 1876 OG SER A 112 -14.312 -14.549 -2.499 1.00 0.00 O ATOM 0 H SER A 112 -12.152 -15.988 -2.127 1.00 0.00 H new ATOM 0 HA SER A 112 -14.453 -16.605 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.936 -16.139 -3.745 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.549 -16.089 -3.063 1.00 0.00 H new ATOM 0 HG SER A 112 -13.353 -14.355 -2.441 1.00 0.00 H new ATOM 1882 N TRP A 113 -14.031 -18.950 -2.958 1.00 0.00 N ATOM 1883 CA TRP A 113 -14.669 -20.207 -3.382 1.00 0.00 C ATOM 1884 C TRP A 113 -13.776 -21.373 -3.775 1.00 0.00 C ATOM 1885 O TRP A 113 -12.980 -21.279 -4.701 1.00 0.00 O ATOM 1886 CB TRP A 113 -15.580 -19.926 -4.583 1.00 0.00 C ATOM 1887 CG TRP A 113 -16.836 -19.199 -4.216 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -17.150 -17.905 -4.482 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -17.966 -19.723 -3.489 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -18.376 -17.571 -3.987 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -18.916 -18.665 -3.369 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -18.270 -20.977 -2.920 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -20.151 -18.831 -2.709 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -19.513 -21.150 -2.258 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -20.441 -20.069 -2.160 1.00 0.00 C ATOM 0 H TRP A 113 -13.164 -18.716 -3.442 1.00 0.00 H new ATOM 0 HA TRP A 113 -15.182 -20.532 -2.477 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -15.030 -19.338 -5.318 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -15.841 -20.870 -5.061 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -16.507 -17.224 -5.020 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -18.818 -16.655 -4.065 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -17.567 -21.794 -2.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -20.853 -18.014 -2.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -19.760 -22.108 -1.824 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -21.382 -20.219 -1.651 1.00 0.00 H new