USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 47 TYR OH : rot -145:sc= -2.11 USER MOD Set 1.2: A 68 MET CE :methyl -178:sc= -2.36 (180deg=-2.28) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0551) USER MOD Single : A 54 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 55 HIS : no HE2:sc= -5.68! C(o=-5.7!,f=-5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0398 USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0295) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 70:sc= -6.84! USER MOD Single : A 76 TYR OH : rot 30:sc= -1.22 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -131:sc= -1.07 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= -4.81! C(o=-4.8!,f=-6.4!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 54 N TYR A 47 -4.034 4.207 5.798 1.00 0.00 N ATOM 55 CA TYR A 47 -3.692 2.885 5.277 1.00 0.00 C ATOM 56 C TYR A 47 -3.450 1.897 6.413 1.00 0.00 C ATOM 57 O TYR A 47 -2.374 1.309 6.525 1.00 0.00 O ATOM 58 CB TYR A 47 -2.455 2.975 4.380 1.00 0.00 C ATOM 59 CG TYR A 47 -2.415 4.226 3.531 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.035 4.267 2.289 1.00 0.00 C ATOM 61 CD2 TYR A 47 -1.761 5.368 3.977 1.00 0.00 C ATOM 62 CE1 TYR A 47 -3.006 5.411 1.515 1.00 0.00 C ATOM 63 CE2 TYR A 47 -1.727 6.516 3.208 1.00 0.00 C ATOM 64 CZ TYR A 47 -2.350 6.532 1.978 1.00 0.00 C ATOM 65 OH TYR A 47 -2.321 7.674 1.211 1.00 0.00 O ATOM 0 HA TYR A 47 -4.533 2.523 4.686 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.561 2.939 5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.424 2.102 3.728 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.548 3.390 1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.272 5.358 4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.495 5.427 0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.215 7.396 3.569 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.461 8.128 1.333 1.00 0.00 H new ATOM 75 N SER A 48 -4.463 1.720 7.252 1.00 0.00 N ATOM 76 CA SER A 48 -4.372 0.804 8.381 1.00 0.00 C ATOM 77 C SER A 48 -4.413 -0.641 7.906 1.00 0.00 C ATOM 78 O SER A 48 -3.638 -1.478 8.365 1.00 0.00 O ATOM 79 CB SER A 48 -5.511 1.063 9.369 1.00 0.00 C ATOM 80 OG SER A 48 -6.773 0.883 8.751 1.00 0.00 O ATOM 0 H SER A 48 -5.359 2.200 7.171 1.00 0.00 H new ATOM 0 HA SER A 48 -3.421 0.977 8.884 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.419 0.387 10.220 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.435 2.078 9.759 1.00 0.00 H new ATOM 0 HG SER A 48 -7.484 1.053 9.404 1.00 0.00 H new ATOM 86 N GLU A 49 -5.329 -0.917 6.981 1.00 0.00 N ATOM 87 CA GLU A 49 -5.502 -2.256 6.420 1.00 0.00 C ATOM 88 C GLU A 49 -6.831 -2.349 5.678 1.00 0.00 C ATOM 89 O GLU A 49 -6.898 -2.868 4.565 1.00 0.00 O ATOM 90 CB GLU A 49 -5.450 -3.321 7.527 1.00 0.00 C ATOM 91 CG GLU A 49 -5.822 -4.721 7.061 1.00 0.00 C ATOM 92 CD GLU A 49 -6.038 -5.679 8.216 1.00 0.00 C ATOM 93 OE1 GLU A 49 -7.161 -5.705 8.763 1.00 0.00 O ATOM 94 OE2 GLU A 49 -5.085 -6.403 8.574 1.00 0.00 O ATOM 0 H GLU A 49 -5.971 -0.222 6.600 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.687 -2.440 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.444 -3.345 7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.124 -3.027 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.730 -4.671 6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.033 -5.107 6.415 1.00 0.00 H new ATOM 101 N GLU A 50 -7.887 -1.845 6.308 1.00 0.00 N ATOM 102 CA GLU A 50 -9.220 -1.869 5.714 1.00 0.00 C ATOM 103 C GLU A 50 -9.218 -1.235 4.330 1.00 0.00 C ATOM 104 O GLU A 50 -9.603 -1.871 3.349 1.00 0.00 O ATOM 105 CB GLU A 50 -10.222 -1.152 6.621 1.00 0.00 C ATOM 106 CG GLU A 50 -9.681 0.131 7.240 1.00 0.00 C ATOM 107 CD GLU A 50 -10.509 1.348 6.876 1.00 0.00 C ATOM 108 OE1 GLU A 50 -10.477 1.757 5.696 1.00 0.00 O ATOM 109 OE2 GLU A 50 -11.189 1.893 7.771 1.00 0.00 O ATOM 0 H GLU A 50 -7.846 -1.414 7.232 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.520 -2.912 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.117 -0.917 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.526 -1.830 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.656 0.024 8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.653 0.284 6.911 1.00 0.00 H new ATOM 116 N GLU A 51 -8.772 0.013 4.247 1.00 0.00 N ATOM 117 CA GLU A 51 -8.716 0.701 2.967 1.00 0.00 C ATOM 118 C GLU A 51 -7.825 -0.079 2.015 1.00 0.00 C ATOM 119 O GLU A 51 -8.138 -0.233 0.836 1.00 0.00 O ATOM 120 CB GLU A 51 -8.185 2.126 3.143 1.00 0.00 C ATOM 121 CG GLU A 51 -8.857 3.143 2.235 1.00 0.00 C ATOM 122 CD GLU A 51 -9.910 3.961 2.955 1.00 0.00 C ATOM 123 OE1 GLU A 51 -10.825 3.357 3.554 1.00 0.00 O ATOM 124 OE2 GLU A 51 -9.821 5.206 2.921 1.00 0.00 O ATOM 0 H GLU A 51 -8.448 0.563 5.043 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.722 0.764 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.323 2.431 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.112 2.131 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.101 3.812 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.317 2.625 1.393 1.00 0.00 H new ATOM 131 N LEU A 52 -6.723 -0.593 2.551 1.00 0.00 N ATOM 132 CA LEU A 52 -5.791 -1.385 1.765 1.00 0.00 C ATOM 133 C LEU A 52 -6.495 -2.602 1.180 1.00 0.00 C ATOM 134 O LEU A 52 -6.465 -2.825 -0.030 1.00 0.00 O ATOM 135 CB LEU A 52 -4.608 -1.824 2.625 1.00 0.00 C ATOM 136 CG LEU A 52 -3.887 -0.686 3.345 1.00 0.00 C ATOM 137 CD1 LEU A 52 -2.947 -1.233 4.410 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.129 0.177 2.346 1.00 0.00 C ATOM 0 H LEU A 52 -6.455 -0.474 3.528 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.417 -0.769 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.961 -2.540 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.891 -2.348 1.993 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.632 -0.064 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.444 -0.406 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.519 -1.805 5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.205 -1.880 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.620 0.984 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.394 -0.434 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.829 0.600 1.626 1.00 0.00 H new ATOM 150 N LYS A 53 -7.145 -3.382 2.045 1.00 0.00 N ATOM 151 CA LYS A 53 -7.871 -4.564 1.598 1.00 0.00 C ATOM 152 C LYS A 53 -8.854 -4.185 0.501 1.00 0.00 C ATOM 153 O LYS A 53 -8.917 -4.829 -0.545 1.00 0.00 O ATOM 154 CB LYS A 53 -8.604 -5.224 2.767 1.00 0.00 C ATOM 155 CG LYS A 53 -7.905 -6.466 3.294 1.00 0.00 C ATOM 156 CD LYS A 53 -8.412 -7.726 2.611 1.00 0.00 C ATOM 157 CE LYS A 53 -7.700 -7.972 1.290 1.00 0.00 C ATOM 158 NZ LYS A 53 -8.310 -9.098 0.531 1.00 0.00 N ATOM 0 H LYS A 53 -7.182 -3.216 3.051 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.155 -5.282 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.705 -4.502 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.612 -5.491 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.830 -6.374 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.064 -6.545 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.264 -8.582 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.484 -7.639 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.734 -7.066 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.649 -8.189 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.700 -9.344 -0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.409 -9.924 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.247 -8.814 0.182 1.00 0.00 H new ATOM 172 N THR A 54 -9.607 -3.117 0.741 1.00 0.00 N ATOM 173 CA THR A 54 -10.569 -2.634 -0.239 1.00 0.00 C ATOM 174 C THR A 54 -9.854 -2.308 -1.542 1.00 0.00 C ATOM 175 O THR A 54 -10.331 -2.634 -2.628 1.00 0.00 O ATOM 176 CB THR A 54 -11.300 -1.398 0.288 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.555 -1.521 1.676 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.624 -1.146 -0.401 1.00 0.00 C ATOM 0 H THR A 54 -9.569 -2.572 1.602 1.00 0.00 H new ATOM 0 HA THR A 54 -11.307 -3.415 -0.422 1.00 0.00 H new ATOM 0 HB THR A 54 -10.636 -0.559 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.759 -1.253 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.090 -0.255 0.020 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.457 -0.998 -1.468 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.280 -2.003 -0.252 1.00 0.00 H new ATOM 186 N HIS A 55 -8.692 -1.676 -1.415 1.00 0.00 N ATOM 187 CA HIS A 55 -7.886 -1.318 -2.571 1.00 0.00 C ATOM 188 C HIS A 55 -7.489 -2.570 -3.343 1.00 0.00 C ATOM 189 O HIS A 55 -7.627 -2.629 -4.565 1.00 0.00 O ATOM 190 CB HIS A 55 -6.635 -0.552 -2.132 1.00 0.00 C ATOM 191 CG HIS A 55 -6.937 0.699 -1.367 1.00 0.00 C ATOM 192 ND1 HIS A 55 -8.077 1.449 -1.569 1.00 0.00 N ATOM 193 CD2 HIS A 55 -6.241 1.333 -0.393 1.00 0.00 C ATOM 194 CE1 HIS A 55 -8.068 2.489 -0.755 1.00 0.00 C ATOM 195 NE2 HIS A 55 -6.965 2.442 -0.031 1.00 0.00 N ATOM 0 H HIS A 55 -8.289 -1.402 -0.519 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.478 -0.675 -3.222 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.017 -1.205 -1.516 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.048 -0.296 -3.014 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -8.812 1.234 -2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.293 1.024 0.022 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.833 3.249 -0.692 1.00 0.00 H new ATOM 204 N ILE A 56 -7.000 -3.575 -2.618 1.00 0.00 N ATOM 205 CA ILE A 56 -6.590 -4.832 -3.234 1.00 0.00 C ATOM 206 C ILE A 56 -7.732 -5.441 -4.047 1.00 0.00 C ATOM 207 O ILE A 56 -7.531 -5.906 -5.169 1.00 0.00 O ATOM 208 CB ILE A 56 -6.077 -5.851 -2.178 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.757 -6.469 -2.643 1.00 0.00 C ATOM 210 CG2 ILE A 56 -7.104 -6.945 -1.900 1.00 0.00 C ATOM 211 CD1 ILE A 56 -4.006 -7.187 -1.543 1.00 0.00 C ATOM 0 H ILE A 56 -6.879 -3.542 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.764 -4.605 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.914 -5.310 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.959 -7.171 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.122 -5.684 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.707 -7.636 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.022 -6.495 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.318 -7.486 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.081 -7.600 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.773 -6.484 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.623 -7.994 -1.148 1.00 0.00 H new ATOM 223 N SER A 57 -8.932 -5.435 -3.469 1.00 0.00 N ATOM 224 CA SER A 57 -10.108 -5.988 -4.135 1.00 0.00 C ATOM 225 C SER A 57 -10.290 -5.389 -5.527 1.00 0.00 C ATOM 226 O SER A 57 -10.049 -6.053 -6.535 1.00 0.00 O ATOM 227 CB SER A 57 -11.360 -5.736 -3.293 1.00 0.00 C ATOM 228 OG SER A 57 -11.612 -6.819 -2.415 1.00 0.00 O ATOM 0 H SER A 57 -9.115 -5.053 -2.541 1.00 0.00 H new ATOM 0 HA SER A 57 -9.956 -7.062 -4.243 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.236 -4.819 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.219 -5.588 -3.948 1.00 0.00 H new ATOM 0 HG SER A 57 -12.416 -6.632 -1.887 1.00 0.00 H new ATOM 234 N LYS A 58 -10.719 -4.133 -5.573 1.00 0.00 N ATOM 235 CA LYS A 58 -10.938 -3.444 -6.839 1.00 0.00 C ATOM 236 C LYS A 58 -9.638 -3.324 -7.628 1.00 0.00 C ATOM 237 O LYS A 58 -9.571 -3.708 -8.795 1.00 0.00 O ATOM 238 CB LYS A 58 -11.528 -2.054 -6.592 1.00 0.00 C ATOM 239 CG LYS A 58 -12.787 -2.071 -5.740 1.00 0.00 C ATOM 240 CD LYS A 58 -13.151 -0.676 -5.257 1.00 0.00 C ATOM 241 CE LYS A 58 -14.136 -0.726 -4.100 1.00 0.00 C ATOM 242 NZ LYS A 58 -15.530 -0.448 -4.544 1.00 0.00 N ATOM 0 H LYS A 58 -10.922 -3.570 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.644 -4.033 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.778 -1.431 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.755 -1.589 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.613 -2.484 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.639 -2.727 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.248 -0.151 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.583 -0.106 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.094 -1.709 -3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.844 0.002 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.170 -0.492 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.576 0.500 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.818 -1.158 -5.247 1.00 0.00 H new ATOM 256 N GLY A 59 -8.608 -2.787 -6.982 1.00 0.00 N ATOM 257 CA GLY A 59 -7.324 -2.626 -7.639 1.00 0.00 C ATOM 258 C GLY A 59 -6.907 -1.172 -7.750 1.00 0.00 C ATOM 259 O GLY A 59 -6.244 -0.781 -8.711 1.00 0.00 O ATOM 0 H GLY A 59 -8.639 -2.461 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.564 -3.177 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.372 -3.064 -8.636 1.00 0.00 H new ATOM 263 N THR A 60 -7.295 -0.370 -6.764 1.00 0.00 N ATOM 264 CA THR A 60 -6.955 1.049 -6.753 1.00 0.00 C ATOM 265 C THR A 60 -5.755 1.325 -5.849 1.00 0.00 C ATOM 266 O THR A 60 -5.286 2.459 -5.759 1.00 0.00 O ATOM 267 CB THR A 60 -8.156 1.877 -6.292 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.989 1.117 -5.434 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.011 2.379 -7.436 1.00 0.00 C ATOM 0 H THR A 60 -7.845 -0.678 -5.962 1.00 0.00 H new ATOM 0 HA THR A 60 -6.688 1.337 -7.770 1.00 0.00 H new ATOM 0 HB THR A 60 -7.733 2.736 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.750 1.664 -5.148 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.845 2.958 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.409 3.010 -8.090 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.395 1.531 -8.003 1.00 0.00 H new ATOM 277 N LEU A 61 -5.258 0.288 -5.180 1.00 0.00 N ATOM 278 CA LEU A 61 -4.113 0.435 -4.291 1.00 0.00 C ATOM 279 C LEU A 61 -2.890 0.939 -5.057 1.00 0.00 C ATOM 280 O LEU A 61 -1.976 1.519 -4.471 1.00 0.00 O ATOM 281 CB LEU A 61 -3.795 -0.898 -3.608 1.00 0.00 C ATOM 282 CG LEU A 61 -3.373 -0.789 -2.141 1.00 0.00 C ATOM 283 CD1 LEU A 61 -2.993 -2.156 -1.593 1.00 0.00 C ATOM 284 CD2 LEU A 61 -2.217 0.188 -1.989 1.00 0.00 C ATOM 0 H LEU A 61 -5.630 -0.660 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.367 1.171 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.674 -1.540 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.998 -1.393 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.219 -0.411 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.696 -2.060 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.848 -2.828 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.162 -2.562 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.931 0.252 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.367 -0.160 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.524 1.172 -2.342 1.00 0.00 H new ATOM 296 N GLY A 62 -2.881 0.713 -6.369 1.00 0.00 N ATOM 297 CA GLY A 62 -1.766 1.150 -7.190 1.00 0.00 C ATOM 298 C GLY A 62 -2.021 2.483 -7.867 1.00 0.00 C ATOM 299 O GLY A 62 -1.372 2.814 -8.859 1.00 0.00 O ATOM 0 H GLY A 62 -3.626 0.235 -6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.873 1.228 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.562 0.395 -7.949 1.00 0.00 H new ATOM 303 N LYS A 63 -2.960 3.254 -7.329 1.00 0.00 N ATOM 304 CA LYS A 63 -3.284 4.558 -7.891 1.00 0.00 C ATOM 305 C LYS A 63 -2.468 5.647 -7.206 1.00 0.00 C ATOM 306 O LYS A 63 -1.742 6.398 -7.857 1.00 0.00 O ATOM 307 CB LYS A 63 -4.780 4.848 -7.743 1.00 0.00 C ATOM 308 CG LYS A 63 -5.455 5.239 -9.049 1.00 0.00 C ATOM 309 CD LYS A 63 -6.282 4.095 -9.616 1.00 0.00 C ATOM 310 CE LYS A 63 -6.008 3.888 -11.097 1.00 0.00 C ATOM 311 NZ LYS A 63 -4.651 3.324 -11.337 1.00 0.00 N ATOM 0 H LYS A 63 -3.508 2.999 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.035 4.548 -8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.275 3.965 -7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.916 5.651 -7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.096 6.105 -8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.699 5.537 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.057 3.178 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.342 4.302 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.759 3.218 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.104 4.839 -11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.570 3.025 -12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.933 4.049 -11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.501 2.504 -10.715 1.00 0.00 H new ATOM 325 N PHE A 64 -2.593 5.722 -5.885 1.00 0.00 N ATOM 326 CA PHE A 64 -1.868 6.713 -5.098 1.00 0.00 C ATOM 327 C PHE A 64 -0.387 6.744 -5.471 1.00 0.00 C ATOM 328 O PHE A 64 0.166 5.751 -5.943 1.00 0.00 O ATOM 329 CB PHE A 64 -2.021 6.420 -3.604 1.00 0.00 C ATOM 330 CG PHE A 64 -3.446 6.216 -3.176 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.411 7.169 -3.458 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.820 5.071 -2.492 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.723 6.984 -3.065 1.00 0.00 C ATOM 334 CE2 PHE A 64 -5.130 4.880 -2.096 1.00 0.00 C ATOM 335 CZ PHE A 64 -6.083 5.838 -2.384 1.00 0.00 C ATOM 0 H PHE A 64 -3.192 5.106 -5.335 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.296 7.691 -5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.444 5.529 -3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.594 7.245 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.135 8.067 -3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.079 4.319 -2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.466 7.735 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.408 3.983 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.108 5.691 -2.077 1.00 0.00 H new ATOM 345 N THR A 65 0.246 7.890 -5.251 1.00 0.00 N ATOM 346 CA THR A 65 1.662 8.057 -5.556 1.00 0.00 C ATOM 347 C THR A 65 2.523 7.306 -4.542 1.00 0.00 C ATOM 348 O THR A 65 2.030 6.437 -3.823 1.00 0.00 O ATOM 349 CB THR A 65 2.019 9.546 -5.560 1.00 0.00 C ATOM 350 OG1 THR A 65 1.836 10.107 -4.273 1.00 0.00 O ATOM 351 CG2 THR A 65 1.188 10.355 -6.532 1.00 0.00 C ATOM 0 H THR A 65 -0.201 8.720 -4.861 1.00 0.00 H new ATOM 0 HA THR A 65 1.860 7.641 -6.544 1.00 0.00 H new ATOM 0 HB THR A 65 3.063 9.594 -5.869 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.071 11.058 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.490 11.401 -6.486 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.340 9.977 -7.543 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.134 10.270 -6.268 1.00 0.00 H new ATOM 359 N VAL A 66 3.808 7.645 -4.484 1.00 0.00 N ATOM 360 CA VAL A 66 4.724 6.999 -3.553 1.00 0.00 C ATOM 361 C VAL A 66 4.529 7.550 -2.140 1.00 0.00 C ATOM 362 O VAL A 66 4.345 6.787 -1.194 1.00 0.00 O ATOM 363 CB VAL A 66 6.194 7.181 -3.997 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.159 6.943 -2.842 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.514 6.253 -5.158 1.00 0.00 C ATOM 0 H VAL A 66 4.236 8.362 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 66 4.499 5.932 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 66 6.319 8.213 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.183 7.079 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.950 7.652 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.035 5.927 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.552 6.392 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.361 5.219 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.858 6.482 -5.998 1.00 0.00 H new ATOM 375 N PRO A 67 4.556 8.886 -1.973 1.00 0.00 N ATOM 376 CA PRO A 67 4.368 9.515 -0.662 1.00 0.00 C ATOM 377 C PRO A 67 3.182 8.921 0.091 1.00 0.00 C ATOM 378 O PRO A 67 3.195 8.823 1.318 1.00 0.00 O ATOM 379 CB PRO A 67 4.099 10.979 -1.011 1.00 0.00 C ATOM 380 CG PRO A 67 4.808 11.197 -2.302 1.00 0.00 C ATOM 381 CD PRO A 67 4.761 9.885 -3.041 1.00 0.00 C ATOM 0 HA PRO A 67 5.227 9.370 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.031 11.173 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.475 11.646 -0.235 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.327 11.986 -2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.838 11.510 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.950 9.865 -3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.685 9.701 -3.589 1.00 0.00 H new ATOM 389 N MET A 68 2.162 8.521 -0.659 1.00 0.00 N ATOM 390 CA MET A 68 0.963 7.929 -0.077 1.00 0.00 C ATOM 391 C MET A 68 1.198 6.458 0.253 1.00 0.00 C ATOM 392 O MET A 68 0.943 6.012 1.371 1.00 0.00 O ATOM 393 CB MET A 68 -0.216 8.066 -1.043 1.00 0.00 C ATOM 394 CG MET A 68 -0.585 9.508 -1.351 1.00 0.00 C ATOM 395 SD MET A 68 -2.052 10.059 -0.458 1.00 0.00 S ATOM 396 CE MET A 68 -3.321 9.080 -1.257 1.00 0.00 C ATOM 0 H MET A 68 2.141 8.596 -1.676 1.00 0.00 H new ATOM 0 HA MET A 68 0.730 8.460 0.846 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.027 7.555 -1.975 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.083 7.560 -0.619 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.254 10.155 -1.097 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.756 9.614 -2.422 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.295 9.334 -0.838 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.321 9.288 -2.327 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.121 8.021 -1.093 1.00 0.00 H new ATOM 406 N LEU A 69 1.693 5.715 -0.730 1.00 0.00 N ATOM 407 CA LEU A 69 1.975 4.295 -0.556 1.00 0.00 C ATOM 408 C LEU A 69 3.005 4.085 0.546 1.00 0.00 C ATOM 409 O LEU A 69 2.897 3.153 1.343 1.00 0.00 O ATOM 410 CB LEU A 69 2.474 3.701 -1.872 1.00 0.00 C ATOM 411 CG LEU A 69 1.387 3.467 -2.923 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.004 3.073 -4.255 1.00 0.00 C ATOM 413 CD2 LEU A 69 0.410 2.401 -2.449 1.00 0.00 C ATOM 0 H LEU A 69 1.908 6.074 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 69 1.056 3.787 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.228 4.366 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.967 2.752 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 69 0.839 4.399 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.214 2.911 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.663 3.870 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.579 2.155 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.357 2.247 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.945 1.467 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.059 2.725 -1.520 1.00 0.00 H new ATOM 425 N LYS A 70 3.998 4.965 0.590 1.00 0.00 N ATOM 426 CA LYS A 70 5.047 4.893 1.601 1.00 0.00 C ATOM 427 C LYS A 70 4.445 4.812 2.999 1.00 0.00 C ATOM 428 O LYS A 70 4.912 4.051 3.845 1.00 0.00 O ATOM 429 CB LYS A 70 5.959 6.116 1.500 1.00 0.00 C ATOM 430 CG LYS A 70 6.995 6.014 0.394 1.00 0.00 C ATOM 431 CD LYS A 70 8.372 5.691 0.951 1.00 0.00 C ATOM 432 CE LYS A 70 9.255 6.927 1.005 1.00 0.00 C ATOM 433 NZ LYS A 70 10.700 6.581 0.902 1.00 0.00 N ATOM 0 H LYS A 70 4.099 5.740 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 70 5.633 3.992 1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.347 7.002 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.470 6.257 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.697 5.241 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.035 6.954 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.271 5.270 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.847 4.930 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.984 7.602 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.075 7.461 1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.269 7.451 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.965 5.957 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.877 6.094 0.001 1.00 0.00 H new ATOM 447 N GLU A 71 3.405 5.608 3.232 1.00 0.00 N ATOM 448 CA GLU A 71 2.732 5.639 4.527 1.00 0.00 C ATOM 449 C GLU A 71 2.297 4.241 4.957 1.00 0.00 C ATOM 450 O GLU A 71 2.655 3.778 6.040 1.00 0.00 O ATOM 451 CB GLU A 71 1.521 6.574 4.473 1.00 0.00 C ATOM 452 CG GLU A 71 1.659 7.797 5.366 1.00 0.00 C ATOM 453 CD GLU A 71 1.401 9.095 4.624 1.00 0.00 C ATOM 454 OE1 GLU A 71 0.228 9.367 4.293 1.00 0.00 O ATOM 455 OE2 GLU A 71 2.372 9.839 4.376 1.00 0.00 O ATOM 0 H GLU A 71 3.009 6.242 2.538 1.00 0.00 H new ATOM 0 HA GLU A 71 3.441 6.015 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.370 6.900 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.630 6.019 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.961 7.714 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.662 7.820 5.792 1.00 0.00 H new ATOM 462 N ALA A 72 1.531 3.568 4.103 1.00 0.00 N ATOM 463 CA ALA A 72 1.063 2.220 4.408 1.00 0.00 C ATOM 464 C ALA A 72 2.242 1.294 4.676 1.00 0.00 C ATOM 465 O ALA A 72 2.260 0.562 5.665 1.00 0.00 O ATOM 466 CB ALA A 72 0.211 1.683 3.268 1.00 0.00 C ATOM 0 H ALA A 72 1.223 3.931 3.201 1.00 0.00 H new ATOM 0 HA ALA A 72 0.448 2.263 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.130 0.677 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.652 2.333 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.803 1.654 2.353 1.00 0.00 H new ATOM 472 N CYS A 73 3.229 1.342 3.791 1.00 0.00 N ATOM 473 CA CYS A 73 4.420 0.518 3.932 1.00 0.00 C ATOM 474 C CYS A 73 5.158 0.856 5.223 1.00 0.00 C ATOM 475 O CYS A 73 5.652 -0.032 5.915 1.00 0.00 O ATOM 476 CB CYS A 73 5.342 0.709 2.728 1.00 0.00 C ATOM 477 SG CYS A 73 4.819 -0.203 1.257 1.00 0.00 S ATOM 0 H CYS A 73 3.227 1.944 2.967 1.00 0.00 H new ATOM 0 HA CYS A 73 4.113 -0.527 3.976 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.394 1.771 2.487 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.350 0.394 3.000 1.00 0.00 H new ATOM 0 HG CYS A 73 3.735 0.331 0.778 1.00 0.00 H new ATOM 483 N ARG A 74 5.224 2.145 5.546 1.00 0.00 N ATOM 484 CA ARG A 74 5.896 2.593 6.761 1.00 0.00 C ATOM 485 C ARG A 74 5.187 2.048 7.996 1.00 0.00 C ATOM 486 O ARG A 74 5.823 1.718 8.997 1.00 0.00 O ATOM 487 CB ARG A 74 5.945 4.122 6.816 1.00 0.00 C ATOM 488 CG ARG A 74 7.331 4.676 7.103 1.00 0.00 C ATOM 489 CD ARG A 74 7.279 5.829 8.094 1.00 0.00 C ATOM 490 NE ARG A 74 7.203 5.360 9.476 1.00 0.00 N ATOM 491 CZ ARG A 74 7.502 6.114 10.531 1.00 0.00 C ATOM 492 NH1 ARG A 74 7.895 7.371 10.368 1.00 0.00 N ATOM 493 NH2 ARG A 74 7.406 5.609 11.754 1.00 0.00 N ATOM 0 H ARG A 74 4.821 2.895 4.985 1.00 0.00 H new ATOM 0 HA ARG A 74 6.917 2.211 6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.592 4.523 5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.256 4.472 7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.965 3.883 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.788 5.015 6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.164 6.453 7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.414 6.456 7.876 1.00 0.00 H new ATOM 0 HE ARG A 74 6.903 4.399 9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.969 7.765 9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.123 7.944 11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.103 4.644 11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.635 6.186 12.563 1.00 0.00 H new ATOM 507 N ALA A 75 3.863 1.955 7.914 1.00 0.00 N ATOM 508 CA ALA A 75 3.061 1.450 9.021 1.00 0.00 C ATOM 509 C ALA A 75 3.276 -0.047 9.208 1.00 0.00 C ATOM 510 O ALA A 75 3.416 -0.529 10.332 1.00 0.00 O ATOM 511 CB ALA A 75 1.588 1.749 8.786 1.00 0.00 C ATOM 0 H ALA A 75 3.323 2.223 7.091 1.00 0.00 H new ATOM 0 HA ALA A 75 3.380 1.956 9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.001 1.366 9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.444 2.826 8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.262 1.269 7.863 1.00 0.00 H new ATOM 517 N TYR A 76 3.301 -0.777 8.099 1.00 0.00 N ATOM 518 CA TYR A 76 3.500 -2.222 8.140 1.00 0.00 C ATOM 519 C TYR A 76 4.985 -2.580 8.189 1.00 0.00 C ATOM 520 O TYR A 76 5.348 -3.706 8.527 1.00 0.00 O ATOM 521 CB TYR A 76 2.844 -2.884 6.928 1.00 0.00 C ATOM 522 CG TYR A 76 1.409 -3.291 7.167 1.00 0.00 C ATOM 523 CD1 TYR A 76 1.089 -4.231 8.138 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.374 -2.738 6.423 1.00 0.00 C ATOM 525 CE1 TYR A 76 -0.221 -4.609 8.362 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.939 -3.110 6.641 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.230 -4.046 7.611 1.00 0.00 C ATOM 528 OH TYR A 76 -2.535 -4.420 7.832 1.00 0.00 O ATOM 0 H TYR A 76 3.186 -0.393 7.161 1.00 0.00 H new ATOM 0 HA TYR A 76 3.031 -2.595 9.051 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.882 -2.196 6.083 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.422 -3.765 6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.878 -4.674 8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.599 -2.006 5.662 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.453 -5.341 9.121 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.733 -2.670 6.055 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.648 -4.673 8.772 1.00 0.00 H new ATOM 538 N GLY A 77 5.839 -1.619 7.850 1.00 0.00 N ATOM 539 CA GLY A 77 7.270 -1.859 7.864 1.00 0.00 C ATOM 540 C GLY A 77 7.680 -2.986 6.937 1.00 0.00 C ATOM 541 O GLY A 77 8.460 -3.859 7.318 1.00 0.00 O ATOM 0 H GLY A 77 5.565 -0.678 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.791 -0.947 7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.585 -2.096 8.880 1.00 0.00 H new ATOM 545 N LEU A 78 7.154 -2.969 5.714 1.00 0.00 N ATOM 546 CA LEU A 78 7.471 -4.000 4.729 1.00 0.00 C ATOM 547 C LEU A 78 8.763 -3.689 3.975 1.00 0.00 C ATOM 548 O LEU A 78 9.051 -4.297 2.944 1.00 0.00 O ATOM 549 CB LEU A 78 6.314 -4.162 3.742 1.00 0.00 C ATOM 550 CG LEU A 78 4.948 -4.417 4.385 1.00 0.00 C ATOM 551 CD1 LEU A 78 3.872 -3.581 3.708 1.00 0.00 C ATOM 552 CD2 LEU A 78 4.595 -5.896 4.320 1.00 0.00 C ATOM 0 H LEU A 78 6.507 -2.254 5.382 1.00 0.00 H new ATOM 0 HA LEU A 78 7.620 -4.935 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.249 -3.262 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.543 -4.989 3.069 1.00 0.00 H new ATOM 0 HG LEU A 78 5.002 -4.122 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.909 -3.777 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.117 -2.523 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.819 -3.843 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.621 -6.058 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.561 -6.217 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.350 -6.474 4.853 1.00 0.00 H new ATOM 564 N LYS A 79 9.536 -2.746 4.497 1.00 0.00 N ATOM 565 CA LYS A 79 10.802 -2.354 3.880 1.00 0.00 C ATOM 566 C LYS A 79 10.602 -1.782 2.473 1.00 0.00 C ATOM 567 O LYS A 79 11.572 -1.536 1.756 1.00 0.00 O ATOM 568 CB LYS A 79 11.750 -3.554 3.824 1.00 0.00 C ATOM 569 CG LYS A 79 13.107 -3.235 3.217 1.00 0.00 C ATOM 570 CD LYS A 79 13.222 -3.763 1.796 1.00 0.00 C ATOM 571 CE LYS A 79 14.351 -3.084 1.039 1.00 0.00 C ATOM 572 NZ LYS A 79 14.403 -3.517 -0.385 1.00 0.00 N ATOM 0 H LYS A 79 9.309 -2.235 5.350 1.00 0.00 H new ATOM 0 HA LYS A 79 11.238 -1.568 4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.895 -3.938 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.281 -4.349 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.263 -2.156 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.893 -3.671 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.394 -4.839 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.281 -3.602 1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.221 -2.003 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.301 -3.311 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.186 -3.032 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.553 -4.545 -0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.506 -3.277 -0.854 1.00 0.00 H new ATOM 586 N SER A 80 9.350 -1.565 2.081 1.00 0.00 N ATOM 587 CA SER A 80 9.052 -1.020 0.762 1.00 0.00 C ATOM 588 C SER A 80 9.223 0.496 0.748 1.00 0.00 C ATOM 589 O SER A 80 9.759 1.079 1.689 1.00 0.00 O ATOM 590 CB SER A 80 7.629 -1.395 0.347 1.00 0.00 C ATOM 591 OG SER A 80 7.639 -2.362 -0.689 1.00 0.00 O ATOM 0 H SER A 80 8.529 -1.757 2.655 1.00 0.00 H new ATOM 0 HA SER A 80 9.755 -1.449 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.086 -1.785 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.097 -0.504 0.012 1.00 0.00 H new ATOM 0 HG SER A 80 7.036 -2.078 -1.407 1.00 0.00 H new ATOM 597 N GLY A 81 8.759 1.128 -0.326 1.00 0.00 N ATOM 598 CA GLY A 81 8.866 2.571 -0.439 1.00 0.00 C ATOM 599 C GLY A 81 10.113 3.007 -1.183 1.00 0.00 C ATOM 600 O GLY A 81 11.155 3.247 -0.574 1.00 0.00 O ATOM 0 H GLY A 81 8.312 0.667 -1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.986 2.958 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.870 3.010 0.558 1.00 0.00 H new ATOM 604 N LEU A 82 10.006 3.111 -2.504 1.00 0.00 N ATOM 605 CA LEU A 82 11.134 3.523 -3.331 1.00 0.00 C ATOM 606 C LEU A 82 10.657 4.039 -4.686 1.00 0.00 C ATOM 607 O LEU A 82 10.564 5.247 -4.903 1.00 0.00 O ATOM 608 CB LEU A 82 12.108 2.357 -3.522 1.00 0.00 C ATOM 609 CG LEU A 82 13.335 2.384 -2.609 1.00 0.00 C ATOM 610 CD1 LEU A 82 13.826 0.971 -2.335 1.00 0.00 C ATOM 611 CD2 LEU A 82 14.440 3.225 -3.229 1.00 0.00 C ATOM 0 H LEU A 82 9.150 2.916 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 82 11.651 4.334 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.571 1.423 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.445 2.351 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 82 13.050 2.837 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.699 1.009 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.036 0.399 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.095 0.491 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.306 3.234 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.724 2.800 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.083 4.245 -3.374 1.00 0.00 H new ATOM 623 N LYS A 83 10.356 3.117 -5.591 1.00 0.00 N ATOM 624 CA LYS A 83 9.887 3.477 -6.924 1.00 0.00 C ATOM 625 C LYS A 83 8.401 3.818 -6.902 1.00 0.00 C ATOM 626 O LYS A 83 8.018 4.973 -7.082 1.00 0.00 O ATOM 627 CB LYS A 83 10.149 2.335 -7.908 1.00 0.00 C ATOM 628 CG LYS A 83 10.461 2.807 -9.319 1.00 0.00 C ATOM 629 CD LYS A 83 9.326 3.641 -9.891 1.00 0.00 C ATOM 630 CE LYS A 83 9.290 3.571 -11.410 1.00 0.00 C ATOM 631 NZ LYS A 83 7.973 3.092 -11.913 1.00 0.00 N ATOM 0 H LYS A 83 10.428 2.113 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 83 10.439 4.358 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.982 1.735 -7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.276 1.684 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.379 3.395 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.640 1.945 -9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.376 3.290 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.442 4.678 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.500 4.557 -11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.077 2.904 -11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.990 3.059 -12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.784 2.140 -11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.224 3.742 -11.600 1.00 0.00 H new ATOM 645 N LYS A 84 7.569 2.803 -6.678 1.00 0.00 N ATOM 646 CA LYS A 84 6.121 2.986 -6.627 1.00 0.00 C ATOM 647 C LYS A 84 5.416 1.636 -6.505 1.00 0.00 C ATOM 648 O LYS A 84 5.031 1.223 -5.411 1.00 0.00 O ATOM 649 CB LYS A 84 5.625 3.733 -7.873 1.00 0.00 C ATOM 650 CG LYS A 84 4.110 3.805 -7.984 1.00 0.00 C ATOM 651 CD LYS A 84 3.678 4.416 -9.307 1.00 0.00 C ATOM 652 CE LYS A 84 3.680 5.935 -9.246 1.00 0.00 C ATOM 653 NZ LYS A 84 2.314 6.484 -9.018 1.00 0.00 N ATOM 0 H LYS A 84 7.875 1.842 -6.528 1.00 0.00 H new ATOM 0 HA LYS A 84 5.884 3.585 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.028 4.746 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.022 3.242 -8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.689 2.804 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.711 4.398 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.348 4.082 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.679 4.062 -9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.342 6.265 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.081 6.335 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.359 7.522 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.688 6.190 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.941 6.123 -8.117 1.00 0.00 H new ATOM 667 N GLN A 85 5.253 0.951 -7.635 1.00 0.00 N ATOM 668 CA GLN A 85 4.598 -0.355 -7.658 1.00 0.00 C ATOM 669 C GLN A 85 5.154 -1.270 -6.570 1.00 0.00 C ATOM 670 O GLN A 85 4.450 -2.137 -6.056 1.00 0.00 O ATOM 671 CB GLN A 85 4.772 -1.008 -9.029 1.00 0.00 C ATOM 672 CG GLN A 85 3.604 -1.891 -9.436 1.00 0.00 C ATOM 673 CD GLN A 85 3.573 -2.165 -10.927 1.00 0.00 C ATOM 674 OE1 GLN A 85 2.531 -2.042 -11.571 1.00 0.00 O ATOM 675 NE2 GLN A 85 4.719 -2.539 -11.485 1.00 0.00 N ATOM 0 H GLN A 85 5.566 1.280 -8.548 1.00 0.00 H new ATOM 0 HA GLN A 85 3.536 -0.203 -7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.906 -0.228 -9.779 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.684 -1.605 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.663 -2.837 -8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.671 -1.413 -9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.559 -2.628 -10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.759 -2.737 -12.485 1.00 0.00 H new ATOM 684 N GLU A 86 6.422 -1.071 -6.225 1.00 0.00 N ATOM 685 CA GLU A 86 7.069 -1.880 -5.196 1.00 0.00 C ATOM 686 C GLU A 86 6.258 -1.863 -3.905 1.00 0.00 C ATOM 687 O GLU A 86 6.169 -2.870 -3.203 1.00 0.00 O ATOM 688 CB GLU A 86 8.490 -1.375 -4.935 1.00 0.00 C ATOM 689 CG GLU A 86 9.559 -2.439 -5.133 1.00 0.00 C ATOM 690 CD GLU A 86 10.670 -1.986 -6.059 1.00 0.00 C ATOM 691 OE1 GLU A 86 11.097 -0.817 -5.947 1.00 0.00 O ATOM 692 OE2 GLU A 86 11.114 -2.799 -6.896 1.00 0.00 O ATOM 0 H GLU A 86 7.021 -0.358 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 86 7.122 -2.908 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.696 -0.536 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.551 -0.996 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.984 -2.706 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.098 -3.340 -5.538 1.00 0.00 H new ATOM 699 N LEU A 87 5.657 -0.717 -3.604 1.00 0.00 N ATOM 700 CA LEU A 87 4.841 -0.579 -2.406 1.00 0.00 C ATOM 701 C LEU A 87 3.655 -1.529 -2.479 1.00 0.00 C ATOM 702 O LEU A 87 3.343 -2.226 -1.513 1.00 0.00 O ATOM 703 CB LEU A 87 4.362 0.869 -2.254 1.00 0.00 C ATOM 704 CG LEU A 87 5.476 1.899 -2.033 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.253 3.134 -2.896 1.00 0.00 C ATOM 706 CD2 LEU A 87 5.565 2.281 -0.563 1.00 0.00 C ATOM 0 H LEU A 87 5.720 0.127 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 87 5.442 -0.834 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.803 1.147 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.668 0.920 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 87 6.422 1.446 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.056 3.850 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.245 2.847 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.298 3.591 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.361 3.013 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.617 2.711 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.781 1.393 0.031 1.00 0.00 H new ATOM 718 N LEU A 88 3.010 -1.569 -3.641 1.00 0.00 N ATOM 719 CA LEU A 88 1.872 -2.455 -3.850 1.00 0.00 C ATOM 720 C LEU A 88 2.223 -3.876 -3.435 1.00 0.00 C ATOM 721 O LEU A 88 1.515 -4.493 -2.643 1.00 0.00 O ATOM 722 CB LEU A 88 1.439 -2.440 -5.316 1.00 0.00 C ATOM 723 CG LEU A 88 0.665 -1.198 -5.754 1.00 0.00 C ATOM 724 CD1 LEU A 88 0.626 -1.110 -7.273 1.00 0.00 C ATOM 725 CD2 LEU A 88 -0.743 -1.220 -5.176 1.00 0.00 C ATOM 0 H LEU A 88 3.256 -0.999 -4.450 1.00 0.00 H new ATOM 0 HA LEU A 88 1.047 -2.097 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.327 -2.534 -5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.822 -3.318 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 88 1.175 -0.313 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.071 -0.220 -7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.643 -1.051 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.135 -1.996 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.282 -0.329 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.267 -2.108 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.689 -1.239 -4.087 1.00 0.00 H new ATOM 737 N GLU A 89 3.325 -4.390 -3.975 1.00 0.00 N ATOM 738 CA GLU A 89 3.772 -5.741 -3.655 1.00 0.00 C ATOM 739 C GLU A 89 3.804 -5.959 -2.148 1.00 0.00 C ATOM 740 O GLU A 89 3.227 -6.920 -1.639 1.00 0.00 O ATOM 741 CB GLU A 89 5.154 -6.003 -4.254 1.00 0.00 C ATOM 742 CG GLU A 89 5.241 -5.701 -5.741 1.00 0.00 C ATOM 743 CD GLU A 89 6.227 -6.599 -6.462 1.00 0.00 C ATOM 744 OE1 GLU A 89 6.362 -7.774 -6.062 1.00 0.00 O ATOM 745 OE2 GLU A 89 6.866 -6.126 -7.426 1.00 0.00 O ATOM 0 H GLU A 89 3.923 -3.892 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 89 3.061 -6.444 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.890 -5.398 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.421 -7.047 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.254 -5.817 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.534 -4.660 -5.880 1.00 0.00 H new ATOM 752 N ALA A 90 4.474 -5.057 -1.434 1.00 0.00 N ATOM 753 CA ALA A 90 4.567 -5.155 0.016 1.00 0.00 C ATOM 754 C ALA A 90 3.181 -5.268 0.637 1.00 0.00 C ATOM 755 O ALA A 90 2.931 -6.136 1.473 1.00 0.00 O ATOM 756 CB ALA A 90 5.312 -3.955 0.582 1.00 0.00 C ATOM 0 H ALA A 90 4.958 -4.254 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 90 5.126 -6.057 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.373 -4.043 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.318 -3.921 0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.779 -3.040 0.322 1.00 0.00 H new ATOM 762 N LEU A 91 2.278 -4.390 0.216 1.00 0.00 N ATOM 763 CA LEU A 91 0.914 -4.403 0.726 1.00 0.00 C ATOM 764 C LEU A 91 0.188 -5.664 0.282 1.00 0.00 C ATOM 765 O LEU A 91 -0.428 -6.358 1.091 1.00 0.00 O ATOM 766 CB LEU A 91 0.156 -3.167 0.245 1.00 0.00 C ATOM 767 CG LEU A 91 0.383 -1.904 1.079 1.00 0.00 C ATOM 768 CD1 LEU A 91 0.425 -0.670 0.188 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.702 -1.766 2.138 1.00 0.00 C ATOM 0 H LEU A 91 2.466 -3.663 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 91 0.956 -4.391 1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.445 -2.960 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.910 -3.393 0.238 1.00 0.00 H new ATOM 0 HG LEU A 91 1.346 -1.992 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.587 0.216 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.239 -0.768 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.521 -0.574 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.527 -0.863 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.677 -1.701 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.681 -2.635 2.796 1.00 0.00 H new ATOM 781 N THR A 92 0.268 -5.957 -1.011 1.00 0.00 N ATOM 782 CA THR A 92 -0.375 -7.135 -1.572 1.00 0.00 C ATOM 783 C THR A 92 0.019 -8.386 -0.790 1.00 0.00 C ATOM 784 O THR A 92 -0.836 -9.081 -0.245 1.00 0.00 O ATOM 785 CB THR A 92 -0.015 -7.266 -3.061 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.149 -7.015 -3.870 1.00 0.00 O ATOM 787 CG2 THR A 92 0.532 -8.623 -3.457 1.00 0.00 C ATOM 0 H THR A 92 0.775 -5.391 -1.692 1.00 0.00 H new ATOM 0 HA THR A 92 -1.456 -7.025 -1.490 1.00 0.00 H new ATOM 0 HB THR A 92 0.772 -6.528 -3.219 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.902 -7.101 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.759 -8.627 -4.523 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.441 -8.828 -2.892 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.210 -9.392 -3.241 1.00 0.00 H new ATOM 795 N LYS A 93 1.319 -8.664 -0.734 1.00 0.00 N ATOM 796 CA LYS A 93 1.821 -9.828 -0.010 1.00 0.00 C ATOM 797 C LYS A 93 1.205 -9.921 1.384 1.00 0.00 C ATOM 798 O LYS A 93 1.033 -11.014 1.924 1.00 0.00 O ATOM 799 CB LYS A 93 3.348 -9.780 0.092 1.00 0.00 C ATOM 800 CG LYS A 93 3.869 -8.620 0.923 1.00 0.00 C ATOM 801 CD LYS A 93 5.247 -8.916 1.491 1.00 0.00 C ATOM 802 CE LYS A 93 5.163 -9.423 2.921 1.00 0.00 C ATOM 803 NZ LYS A 93 6.368 -9.054 3.713 1.00 0.00 N ATOM 0 H LYS A 93 2.042 -8.100 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 93 1.532 -10.717 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.704 -10.715 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.768 -9.714 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.913 -7.721 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.175 -8.414 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.746 -9.659 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.856 -8.013 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.274 -9.012 3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.050 -10.507 2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.271 -9.418 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.214 -9.467 3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.462 -8.019 3.740 1.00 0.00 H new ATOM 817 N HIS A 94 0.878 -8.769 1.966 1.00 0.00 N ATOM 818 CA HIS A 94 0.286 -8.731 3.299 1.00 0.00 C ATOM 819 C HIS A 94 -1.168 -9.199 3.277 1.00 0.00 C ATOM 820 O HIS A 94 -1.711 -9.610 4.302 1.00 0.00 O ATOM 821 CB HIS A 94 0.368 -7.319 3.878 1.00 0.00 C ATOM 822 CG HIS A 94 0.307 -7.287 5.373 1.00 0.00 C ATOM 823 ND1 HIS A 94 -0.859 -7.483 6.082 1.00 0.00 N ATOM 824 CD2 HIS A 94 1.278 -7.089 6.296 1.00 0.00 C ATOM 825 CE1 HIS A 94 -0.604 -7.405 7.376 1.00 0.00 C ATOM 826 NE2 HIS A 94 0.686 -7.168 7.532 1.00 0.00 N ATOM 0 H HIS A 94 1.013 -7.854 1.537 1.00 0.00 H new ATOM 0 HA HIS A 94 0.854 -9.413 3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.297 -6.853 3.549 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.449 -6.721 3.475 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.776 -7.661 5.672 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.323 -6.904 6.097 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -1.327 -7.516 8.171 1.00 0.00 H new ATOM 835 N PHE A 95 -1.795 -9.134 2.106 1.00 0.00 N ATOM 836 CA PHE A 95 -3.185 -9.551 1.962 1.00 0.00 C ATOM 837 C PHE A 95 -3.440 -10.141 0.577 1.00 0.00 C ATOM 838 O PHE A 95 -4.456 -9.854 -0.056 1.00 0.00 O ATOM 839 CB PHE A 95 -4.120 -8.366 2.221 1.00 0.00 C ATOM 840 CG PHE A 95 -5.060 -8.601 3.369 1.00 0.00 C ATOM 841 CD1 PHE A 95 -5.808 -9.766 3.440 1.00 0.00 C ATOM 842 CD2 PHE A 95 -5.191 -7.663 4.380 1.00 0.00 C ATOM 843 CE1 PHE A 95 -6.668 -9.990 4.498 1.00 0.00 C ATOM 844 CE2 PHE A 95 -6.051 -7.881 5.439 1.00 0.00 C ATOM 845 CZ PHE A 95 -6.790 -9.046 5.499 1.00 0.00 C ATOM 0 H PHE A 95 -1.363 -8.797 1.245 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.388 -10.328 2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.523 -7.477 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.699 -8.163 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.718 -10.507 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.614 -6.751 4.340 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.244 -10.902 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.145 -7.141 6.220 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.462 -9.219 6.327 1.00 0.00 H new ATOM 855 N GLN A 96 -2.510 -10.973 0.116 1.00 0.00 N ATOM 856 CA GLN A 96 -2.632 -11.609 -1.191 1.00 0.00 C ATOM 857 C GLN A 96 -1.604 -12.725 -1.349 1.00 0.00 C ATOM 858 O GLN A 96 -0.400 -12.491 -1.255 1.00 0.00 O ATOM 859 CB GLN A 96 -2.458 -10.573 -2.305 1.00 0.00 C ATOM 860 CG GLN A 96 -3.590 -10.577 -3.320 1.00 0.00 C ATOM 861 CD GLN A 96 -3.161 -11.117 -4.670 1.00 0.00 C ATOM 862 OE1 GLN A 96 -3.260 -12.316 -4.932 1.00 0.00 O ATOM 863 NE2 GLN A 96 -2.680 -10.233 -5.537 1.00 0.00 N ATOM 0 H GLN A 96 -1.664 -11.222 0.629 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.628 -12.045 -1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.384 -9.581 -1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.517 -10.761 -2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.414 -11.179 -2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.967 -9.562 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.615 -9.248 -5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.375 -10.539 -6.461 1.00 0.00 H new