USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 598 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 13 SER OG : rot -26:sc= 0.256 USER MOD Set 1.2: A 75 THR OG1 : rot -69:sc= 0.276 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0.726 USER MOD Set 2.2: A 67 SER OG : rot 9:sc= -0.113 USER MOD Single : A 16 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.138) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0491) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0189) USER MOD Single : A 38 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.53) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 13 73.717 -0.374 -9.373 1.00 0.00 N ATOM 76 CA SER A 13 72.547 -0.820 -8.556 1.00 0.00 C ATOM 77 C SER A 13 72.368 0.094 -7.341 1.00 0.00 C ATOM 78 O SER A 13 73.329 0.628 -6.814 1.00 0.00 O ATOM 79 CB SER A 13 72.894 -2.241 -8.109 1.00 0.00 C ATOM 80 OG SER A 13 74.182 -2.244 -7.510 1.00 0.00 O ATOM 0 HA SER A 13 71.615 -0.785 -9.120 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.150 -2.603 -7.400 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.876 -2.918 -8.963 1.00 0.00 H new ATOM 0 HG SER A 13 74.713 -1.504 -7.872 1.00 0.00 H new ATOM 86 N GLU A 14 71.142 0.271 -6.899 1.00 0.00 N ATOM 87 CA GLU A 14 70.867 1.174 -5.739 1.00 0.00 C ATOM 88 C GLU A 14 69.620 0.710 -4.980 1.00 0.00 C ATOM 89 O GLU A 14 68.708 0.148 -5.563 1.00 0.00 O ATOM 90 CB GLU A 14 70.636 2.553 -6.358 1.00 0.00 C ATOM 91 CG GLU A 14 70.592 3.611 -5.252 1.00 0.00 C ATOM 92 CD GLU A 14 70.219 4.967 -5.854 1.00 0.00 C ATOM 93 OE1 GLU A 14 69.295 5.007 -6.650 1.00 0.00 O ATOM 94 OE2 GLU A 14 70.862 5.944 -5.507 1.00 0.00 O ATOM 0 H GLU A 14 70.316 -0.176 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 14 71.687 1.179 -5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.433 2.784 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.701 2.559 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 14 69.865 3.327 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.561 3.675 -4.758 1.00 0.00 H new ATOM 101 N LEU A 15 69.586 0.945 -3.688 1.00 0.00 N ATOM 102 CA LEU A 15 68.373 0.618 -2.874 1.00 0.00 C ATOM 103 C LEU A 15 67.957 1.829 -2.034 1.00 0.00 C ATOM 104 O LEU A 15 68.774 2.428 -1.357 1.00 0.00 O ATOM 105 CB LEU A 15 68.806 -0.536 -1.969 1.00 0.00 C ATOM 106 CG LEU A 15 69.002 -1.796 -2.811 1.00 0.00 C ATOM 107 CD1 LEU A 15 69.896 -2.781 -2.056 1.00 0.00 C ATOM 108 CD2 LEU A 15 67.643 -2.444 -3.078 1.00 0.00 C ATOM 0 H LEU A 15 70.356 1.354 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 15 67.517 0.353 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.733 -0.281 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 15 68.053 -0.712 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 15 69.473 -1.531 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 15 70.036 -3.680 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 15 70.864 -2.319 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 15 69.426 -3.047 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.780 -3.343 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 15 67.174 -2.709 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 15 67.005 -1.743 -3.616 1.00 0.00 H new ATOM 120 N LYS A 16 66.693 2.187 -2.082 1.00 0.00 N ATOM 121 CA LYS A 16 66.173 3.278 -1.202 1.00 0.00 C ATOM 122 C LYS A 16 65.364 2.686 -0.045 1.00 0.00 C ATOM 123 O LYS A 16 64.476 1.877 -0.255 1.00 0.00 O ATOM 124 CB LYS A 16 65.275 4.130 -2.102 1.00 0.00 C ATOM 125 CG LYS A 16 66.114 5.200 -2.818 1.00 0.00 C ATOM 126 CD LYS A 16 65.272 6.459 -3.035 1.00 0.00 C ATOM 127 CE LYS A 16 66.070 7.474 -3.858 1.00 0.00 C ATOM 128 NZ LYS A 16 67.012 8.098 -2.887 1.00 0.00 N ATOM 0 H LYS A 16 65.998 1.766 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 16 66.978 3.865 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.775 3.497 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.495 4.605 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 16 66.997 5.440 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.467 4.818 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.346 6.205 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 16 64.994 6.893 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 16 66.607 6.988 -4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 16 65.415 8.220 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.760 9.098 -2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 66.952 7.600 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 67.983 8.032 -3.254 1.00 0.00 H new ATOM 142 N LEU A 17 65.669 3.096 1.166 1.00 0.00 N ATOM 143 CA LEU A 17 65.016 2.498 2.373 1.00 0.00 C ATOM 144 C LEU A 17 64.340 3.589 3.208 1.00 0.00 C ATOM 145 O LEU A 17 64.748 4.736 3.181 1.00 0.00 O ATOM 146 CB LEU A 17 66.155 1.859 3.170 1.00 0.00 C ATOM 147 CG LEU A 17 66.737 0.677 2.392 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.111 0.322 2.964 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.805 -0.530 2.524 1.00 0.00 C ATOM 0 H LEU A 17 66.350 3.827 1.369 1.00 0.00 H new ATOM 0 HA LEU A 17 64.246 1.775 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.934 2.597 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.788 1.522 4.139 1.00 0.00 H new ATOM 0 HG LEU A 17 66.836 0.946 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.529 -0.520 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.776 1.181 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 17 68.009 0.052 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.220 -1.372 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.707 -0.801 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.824 -0.278 2.121 1.00 0.00 H new ATOM 161 N LYS A 18 63.313 3.231 3.944 1.00 0.00 N ATOM 162 CA LYS A 18 62.682 4.189 4.904 1.00 0.00 C ATOM 163 C LYS A 18 62.494 3.510 6.277 1.00 0.00 C ATOM 164 O LYS A 18 61.942 2.425 6.328 1.00 0.00 O ATOM 165 CB LYS A 18 61.324 4.527 4.284 1.00 0.00 C ATOM 166 CG LYS A 18 60.663 5.659 5.076 1.00 0.00 C ATOM 167 CD LYS A 18 59.269 5.932 4.510 1.00 0.00 C ATOM 168 CE LYS A 18 58.697 7.199 5.149 1.00 0.00 C ATOM 169 NZ LYS A 18 57.224 7.097 4.950 1.00 0.00 N ATOM 0 H LYS A 18 62.882 2.307 3.919 1.00 0.00 H new ATOM 0 HA LYS A 18 63.290 5.079 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.452 4.825 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.683 3.646 4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.592 5.387 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.273 6.561 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.321 6.050 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.613 5.084 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.950 7.256 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 18 59.098 8.096 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 56.759 7.931 5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.014 7.051 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 56.869 6.238 5.416 1.00 0.00 H new ATOM 183 N PRO A 19 62.952 4.146 7.352 1.00 0.00 N ATOM 184 CA PRO A 19 62.687 3.602 8.713 1.00 0.00 C ATOM 185 C PRO A 19 61.231 3.861 9.111 1.00 0.00 C ATOM 186 O PRO A 19 60.683 4.910 8.817 1.00 0.00 O ATOM 187 CB PRO A 19 63.644 4.384 9.612 1.00 0.00 C ATOM 188 CG PRO A 19 63.885 5.670 8.894 1.00 0.00 C ATOM 189 CD PRO A 19 63.746 5.391 7.421 1.00 0.00 C ATOM 0 HA PRO A 19 62.838 2.525 8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.208 4.557 10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.575 3.838 9.767 1.00 0.00 H new ATOM 0 HG2 PRO A 19 63.169 6.428 9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.879 6.056 9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.244 6.211 6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.720 5.267 6.947 1.00 0.00 H new ATOM 197 N LEU A 20 60.610 2.912 9.775 1.00 0.00 N ATOM 198 CA LEU A 20 59.199 3.104 10.251 1.00 0.00 C ATOM 199 C LEU A 20 59.096 3.983 11.536 1.00 0.00 C ATOM 200 O LEU A 20 58.278 4.887 11.517 1.00 0.00 O ATOM 201 CB LEU A 20 58.601 1.698 10.434 1.00 0.00 C ATOM 202 CG LEU A 20 58.447 1.030 9.066 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.163 -0.462 9.253 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.285 1.679 8.310 1.00 0.00 C ATOM 0 H LEU A 20 61.022 2.008 10.009 1.00 0.00 H new ATOM 0 HA LEU A 20 58.627 3.668 9.514 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.246 1.097 11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.633 1.764 10.930 1.00 0.00 H new ATOM 0 HG LEU A 20 59.368 1.155 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.054 -0.937 8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 20 58.990 -0.925 9.791 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.243 -0.589 9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.174 1.204 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.365 1.555 8.881 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.487 2.742 8.175 1.00 0.00 H new ATOM 216 N PRO A 21 59.870 3.752 12.615 1.00 0.00 N ATOM 217 CA PRO A 21 59.926 4.780 13.701 1.00 0.00 C ATOM 218 C PRO A 21 60.656 6.033 13.204 1.00 0.00 C ATOM 219 O PRO A 21 61.412 5.974 12.250 1.00 0.00 O ATOM 220 CB PRO A 21 60.709 4.106 14.829 1.00 0.00 C ATOM 221 CG PRO A 21 61.515 3.050 14.156 1.00 0.00 C ATOM 222 CD PRO A 21 60.716 2.586 12.972 1.00 0.00 C ATOM 0 HA PRO A 21 58.937 5.103 14.026 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.348 4.820 15.348 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.039 3.677 15.574 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.482 3.443 13.841 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.714 2.222 14.837 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.364 2.297 12.144 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.108 1.716 13.220 1.00 0.00 H new ATOM 230 N LYS A 22 60.429 7.158 13.846 1.00 0.00 N ATOM 231 CA LYS A 22 61.089 8.434 13.415 1.00 0.00 C ATOM 232 C LYS A 22 62.490 8.537 14.026 1.00 0.00 C ATOM 233 O LYS A 22 62.646 8.958 15.160 1.00 0.00 O ATOM 234 CB LYS A 22 60.190 9.561 13.938 1.00 0.00 C ATOM 235 CG LYS A 22 58.847 9.525 13.208 1.00 0.00 C ATOM 236 CD LYS A 22 57.989 10.710 13.658 1.00 0.00 C ATOM 237 CE LYS A 22 56.603 10.610 13.016 1.00 0.00 C ATOM 238 NZ LYS A 22 55.838 9.686 13.899 1.00 0.00 N ATOM 0 H LYS A 22 59.812 7.246 14.653 1.00 0.00 H new ATOM 0 HA LYS A 22 61.207 8.485 12.333 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.035 9.448 15.011 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.673 10.526 13.785 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.006 9.566 12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.331 8.588 13.419 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.899 10.715 14.744 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.467 11.647 13.373 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.124 11.587 12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 22 56.666 10.223 11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 55.254 9.053 13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 56.501 9.120 14.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 55.225 10.239 14.532 1.00 0.00 H new ATOM 252 N VAL A 23 63.500 8.154 13.277 1.00 0.00 N ATOM 253 CA VAL A 23 64.907 8.229 13.784 1.00 0.00 C ATOM 254 C VAL A 23 65.869 8.568 12.632 1.00 0.00 C ATOM 255 O VAL A 23 65.685 8.117 11.515 1.00 0.00 O ATOM 256 CB VAL A 23 65.190 6.839 14.392 1.00 0.00 C ATOM 257 CG1 VAL A 23 65.097 5.737 13.325 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.589 6.820 15.018 1.00 0.00 C ATOM 0 H VAL A 23 63.407 7.790 12.329 1.00 0.00 H new ATOM 0 HA VAL A 23 65.048 9.013 14.528 1.00 0.00 H new ATOM 0 HB VAL A 23 64.438 6.646 15.157 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.301 4.769 13.783 1.00 0.00 H new ATOM 0 HG12 VAL A 23 64.096 5.731 12.895 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.828 5.928 12.540 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.783 5.836 15.446 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.333 7.036 14.252 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.647 7.574 15.803 1.00 0.00 H new ATOM 268 N GLU A 24 66.882 9.358 12.908 1.00 0.00 N ATOM 269 CA GLU A 24 67.899 9.701 11.866 1.00 0.00 C ATOM 270 C GLU A 24 69.242 9.047 12.205 1.00 0.00 C ATOM 271 O GLU A 24 69.839 9.346 13.224 1.00 0.00 O ATOM 272 CB GLU A 24 68.021 11.225 11.915 1.00 0.00 C ATOM 273 CG GLU A 24 66.718 11.858 11.420 1.00 0.00 C ATOM 274 CD GLU A 24 66.861 13.382 11.416 1.00 0.00 C ATOM 275 OE1 GLU A 24 66.821 13.963 12.488 1.00 0.00 O ATOM 276 OE2 GLU A 24 67.007 13.941 10.342 1.00 0.00 O ATOM 0 H GLU A 24 67.047 9.783 13.821 1.00 0.00 H new ATOM 0 HA GLU A 24 67.611 9.347 10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 24 68.232 11.551 12.933 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.856 11.554 11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.486 11.501 10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.890 11.561 12.063 1.00 0.00 H new ATOM 283 N LEU A 25 69.710 8.160 11.354 1.00 0.00 N ATOM 284 CA LEU A 25 70.992 7.434 11.629 1.00 0.00 C ATOM 285 C LEU A 25 72.174 8.171 10.968 1.00 0.00 C ATOM 286 O LEU A 25 72.095 8.483 9.793 1.00 0.00 O ATOM 287 CB LEU A 25 70.810 6.051 11.001 1.00 0.00 C ATOM 288 CG LEU A 25 69.775 5.256 11.800 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.367 4.012 11.010 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.379 4.834 13.142 1.00 0.00 C ATOM 0 H LEU A 25 69.255 7.908 10.477 1.00 0.00 H new ATOM 0 HA LEU A 25 71.209 7.373 12.696 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.486 6.151 9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.761 5.519 10.988 1.00 0.00 H new ATOM 0 HG LEU A 25 68.897 5.878 11.977 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.630 3.445 11.579 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.936 4.313 10.055 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.244 3.390 10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.642 4.268 13.711 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.257 4.213 12.966 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.669 5.721 13.705 1.00 0.00 H new ATOM 302 N PRO A 26 73.241 8.438 11.719 1.00 0.00 N ATOM 303 CA PRO A 26 74.445 9.109 11.131 1.00 0.00 C ATOM 304 C PRO A 26 75.036 8.297 9.955 1.00 0.00 C ATOM 305 O PRO A 26 74.684 7.145 9.781 1.00 0.00 O ATOM 306 CB PRO A 26 75.436 9.172 12.296 1.00 0.00 C ATOM 307 CG PRO A 26 74.589 9.073 13.518 1.00 0.00 C ATOM 308 CD PRO A 26 73.446 8.172 13.158 1.00 0.00 C ATOM 0 HA PRO A 26 74.207 10.089 10.718 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.157 8.356 12.247 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.005 10.102 12.282 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.157 8.667 14.355 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.230 10.055 13.824 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.686 7.125 13.343 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.554 8.402 13.740 1.00 0.00 H new ATOM 316 N PRO A 27 75.918 8.918 9.183 1.00 0.00 N ATOM 317 CA PRO A 27 76.422 8.290 7.922 1.00 0.00 C ATOM 318 C PRO A 27 77.264 7.025 8.177 1.00 0.00 C ATOM 319 O PRO A 27 77.602 6.329 7.237 1.00 0.00 O ATOM 320 CB PRO A 27 77.287 9.390 7.287 1.00 0.00 C ATOM 321 CG PRO A 27 76.875 10.648 7.976 1.00 0.00 C ATOM 322 CD PRO A 27 76.528 10.247 9.377 1.00 0.00 C ATOM 0 HA PRO A 27 75.600 7.955 7.289 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.349 9.190 7.431 1.00 0.00 H new ATOM 0 HB3 PRO A 27 77.118 9.455 6.212 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.681 11.382 7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 27 76.021 11.106 7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.409 10.200 10.016 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.835 10.949 9.841 1.00 0.00 H new ATOM 330 N ASP A 28 77.614 6.726 9.413 1.00 0.00 N ATOM 331 CA ASP A 28 78.401 5.476 9.695 1.00 0.00 C ATOM 332 C ASP A 28 77.494 4.237 9.621 1.00 0.00 C ATOM 333 O ASP A 28 77.944 3.158 9.268 1.00 0.00 O ATOM 334 CB ASP A 28 79.011 5.647 11.100 1.00 0.00 C ATOM 335 CG ASP A 28 77.917 5.846 12.158 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.154 4.918 12.375 1.00 0.00 O ATOM 337 OD2 ASP A 28 77.865 6.919 12.735 1.00 0.00 O ATOM 0 H ASP A 28 77.390 7.290 10.233 1.00 0.00 H new ATOM 0 HA ASP A 28 79.187 5.327 8.955 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.607 4.770 11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.686 6.503 11.105 1.00 0.00 H new ATOM 342 N PHE A 29 76.225 4.385 9.943 1.00 0.00 N ATOM 343 CA PHE A 29 75.284 3.208 9.934 1.00 0.00 C ATOM 344 C PHE A 29 75.198 2.580 8.537 1.00 0.00 C ATOM 345 O PHE A 29 75.284 1.375 8.395 1.00 0.00 O ATOM 346 CB PHE A 29 73.916 3.754 10.363 1.00 0.00 C ATOM 347 CG PHE A 29 73.696 3.697 11.856 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.226 4.722 12.698 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.957 2.615 12.425 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.018 4.665 14.111 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.749 2.557 13.838 1.00 0.00 C ATOM 352 CZ PHE A 29 73.280 3.582 14.681 1.00 0.00 C ATOM 0 H PHE A 29 75.799 5.272 10.212 1.00 0.00 H new ATOM 0 HA PHE A 29 75.632 2.425 10.607 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.822 4.787 10.027 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.132 3.184 9.864 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.784 5.540 12.267 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.556 1.841 11.788 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.418 5.440 14.748 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.191 1.739 14.269 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.123 3.538 15.749 1.00 0.00 H new ATOM 362 N VAL A 30 75.040 3.389 7.511 1.00 0.00 N ATOM 363 CA VAL A 30 74.762 2.844 6.132 1.00 0.00 C ATOM 364 C VAL A 30 75.891 1.891 5.683 1.00 0.00 C ATOM 365 O VAL A 30 75.650 0.929 4.976 1.00 0.00 O ATOM 366 CB VAL A 30 74.640 4.077 5.208 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.967 4.844 5.133 1.00 0.00 C ATOM 368 CG2 VAL A 30 74.222 3.630 3.803 1.00 0.00 C ATOM 0 H VAL A 30 75.091 4.406 7.567 1.00 0.00 H new ATOM 0 HA VAL A 30 73.847 2.252 6.104 1.00 0.00 H new ATOM 0 HB VAL A 30 73.883 4.742 5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.852 5.706 4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.249 5.182 6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.744 4.189 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 30 74.137 4.502 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.972 2.949 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.260 3.121 3.854 1.00 0.00 H new ATOM 378 N ASP A 31 77.108 2.164 6.104 1.00 0.00 N ATOM 379 CA ASP A 31 78.258 1.267 5.754 1.00 0.00 C ATOM 380 C ASP A 31 78.130 -0.064 6.500 1.00 0.00 C ATOM 381 O ASP A 31 78.357 -1.119 5.935 1.00 0.00 O ATOM 382 CB ASP A 31 79.524 2.010 6.201 1.00 0.00 C ATOM 383 CG ASP A 31 80.759 1.290 5.658 1.00 0.00 C ATOM 384 OD1 ASP A 31 81.025 1.424 4.475 1.00 0.00 O ATOM 385 OD2 ASP A 31 81.417 0.616 6.434 1.00 0.00 O ATOM 0 H ASP A 31 77.353 2.972 6.676 1.00 0.00 H new ATOM 0 HA ASP A 31 78.285 1.043 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.501 3.038 5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 31 79.566 2.056 7.289 1.00 0.00 H new ATOM 390 N VAL A 32 77.757 -0.015 7.761 1.00 0.00 N ATOM 391 CA VAL A 32 77.664 -1.273 8.582 1.00 0.00 C ATOM 392 C VAL A 32 76.493 -2.129 8.073 1.00 0.00 C ATOM 393 O VAL A 32 76.597 -3.340 7.992 1.00 0.00 O ATOM 394 CB VAL A 32 77.439 -0.827 10.044 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.372 -2.050 10.966 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.597 0.067 10.504 1.00 0.00 C ATOM 0 H VAL A 32 77.513 0.841 8.258 1.00 0.00 H new ATOM 0 HA VAL A 32 78.567 -1.879 8.508 1.00 0.00 H new ATOM 0 HB VAL A 32 76.500 -0.275 10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.213 -1.723 11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.547 -2.693 10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.308 -2.605 10.903 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.430 0.377 11.536 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.533 -0.488 10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.652 0.948 9.865 1.00 0.00 H new ATOM 406 N ILE A 33 75.388 -1.501 7.729 1.00 0.00 N ATOM 407 CA ILE A 33 74.203 -2.256 7.183 1.00 0.00 C ATOM 408 C ILE A 33 74.579 -2.932 5.851 1.00 0.00 C ATOM 409 O ILE A 33 74.247 -4.082 5.624 1.00 0.00 O ATOM 410 CB ILE A 33 73.086 -1.201 6.994 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.709 -0.566 8.352 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.834 -1.830 6.359 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.199 -1.619 9.351 1.00 0.00 C ATOM 0 H ILE A 33 75.254 -0.493 7.803 1.00 0.00 H new ATOM 0 HA ILE A 33 73.873 -3.051 7.851 1.00 0.00 H new ATOM 0 HB ILE A 33 73.468 -0.429 6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.578 -0.059 8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.941 0.192 8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 33 71.065 -1.067 6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 33 72.090 -2.246 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.458 -2.624 7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.944 -1.133 10.293 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.314 -2.108 8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.977 -2.363 9.525 1.00 0.00 H new ATOM 425 N ARG A 34 75.268 -2.224 4.982 1.00 0.00 N ATOM 426 CA ARG A 34 75.697 -2.815 3.662 1.00 0.00 C ATOM 427 C ARG A 34 76.582 -4.054 3.873 1.00 0.00 C ATOM 428 O ARG A 34 76.426 -5.054 3.194 1.00 0.00 O ATOM 429 CB ARG A 34 76.492 -1.715 2.948 1.00 0.00 C ATOM 430 CG ARG A 34 76.740 -2.122 1.493 1.00 0.00 C ATOM 431 CD ARG A 34 77.621 -1.069 0.812 1.00 0.00 C ATOM 432 NE ARG A 34 78.963 -1.169 1.479 1.00 0.00 N ATOM 433 CZ ARG A 34 79.832 -0.171 1.473 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.593 0.974 0.871 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.973 -0.331 2.085 1.00 0.00 N ATOM 0 H ARG A 34 75.555 -1.256 5.129 1.00 0.00 H new ATOM 0 HA ARG A 34 74.834 -3.138 3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.943 -0.774 2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.442 -1.550 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 34 77.225 -3.098 1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.792 -2.216 0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.701 -1.258 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.199 -0.071 0.929 1.00 0.00 H new ATOM 0 HE ARG A 34 79.213 -2.037 1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.709 1.119 0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.292 1.717 0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 34 81.180 -1.212 2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.658 0.425 2.093 1.00 0.00 H new ATOM 449 N ILE A 35 77.500 -3.989 4.814 1.00 0.00 N ATOM 450 CA ILE A 35 78.442 -5.138 5.059 1.00 0.00 C ATOM 451 C ILE A 35 77.658 -6.363 5.565 1.00 0.00 C ATOM 452 O ILE A 35 77.929 -7.481 5.163 1.00 0.00 O ATOM 453 CB ILE A 35 79.452 -4.639 6.116 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.246 -3.456 5.550 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.439 -5.751 6.495 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.879 -2.668 6.700 1.00 0.00 C ATOM 0 H ILE A 35 77.639 -3.185 5.427 1.00 0.00 H new ATOM 0 HA ILE A 35 78.956 -5.449 4.150 1.00 0.00 H new ATOM 0 HB ILE A 35 78.894 -4.336 7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 35 81.020 -3.815 4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.589 -2.808 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 35 81.140 -5.376 7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.891 -6.599 6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.987 -6.069 5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.444 -1.827 6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 35 80.096 -2.296 7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.549 -3.319 7.262 1.00 0.00 H new ATOM 468 N LYS A 36 76.706 -6.152 6.442 1.00 0.00 N ATOM 469 CA LYS A 36 75.872 -7.291 6.959 1.00 0.00 C ATOM 470 C LYS A 36 74.998 -7.883 5.845 1.00 0.00 C ATOM 471 O LYS A 36 74.862 -9.089 5.738 1.00 0.00 O ATOM 472 CB LYS A 36 74.989 -6.700 8.063 1.00 0.00 C ATOM 473 CG LYS A 36 75.863 -6.281 9.247 1.00 0.00 C ATOM 474 CD LYS A 36 74.972 -5.940 10.444 1.00 0.00 C ATOM 475 CE LYS A 36 74.264 -4.607 10.193 1.00 0.00 C ATOM 476 NZ LYS A 36 73.468 -4.357 11.427 1.00 0.00 N ATOM 0 H LYS A 36 76.467 -5.237 6.825 1.00 0.00 H new ATOM 0 HA LYS A 36 76.502 -8.099 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.438 -5.840 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 36 74.250 -7.434 8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.549 -7.086 9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 36 76.472 -5.419 8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 36 74.237 -6.730 10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 36 75.572 -5.879 11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 36 74.982 -3.806 10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 36 73.623 -4.660 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 72.723 -3.660 11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 73.033 -5.246 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 74.092 -3.990 12.174 1.00 0.00 H new ATOM 490 N LEU A 37 74.416 -7.043 5.020 1.00 0.00 N ATOM 491 CA LEU A 37 73.299 -7.497 4.125 1.00 0.00 C ATOM 492 C LEU A 37 73.816 -8.037 2.783 1.00 0.00 C ATOM 493 O LEU A 37 73.137 -8.817 2.140 1.00 0.00 O ATOM 494 CB LEU A 37 72.431 -6.257 3.898 1.00 0.00 C ATOM 495 CG LEU A 37 71.612 -5.963 5.158 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.972 -4.581 5.037 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.514 -7.018 5.313 1.00 0.00 C ATOM 0 H LEU A 37 74.667 -6.059 4.927 1.00 0.00 H new ATOM 0 HA LEU A 37 72.746 -8.317 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 37 73.060 -5.401 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.766 -6.417 3.049 1.00 0.00 H new ATOM 0 HG LEU A 37 72.266 -5.988 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.389 -4.370 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.752 -3.827 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.318 -4.558 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.932 -6.808 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.860 -6.993 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.968 -8.005 5.398 1.00 0.00 H new ATOM 509 N GLN A 38 74.998 -7.632 2.351 1.00 0.00 N ATOM 510 CA GLN A 38 75.526 -8.040 0.991 1.00 0.00 C ATOM 511 C GLN A 38 75.428 -9.560 0.754 1.00 0.00 C ATOM 512 O GLN A 38 75.605 -10.349 1.666 1.00 0.00 O ATOM 513 CB GLN A 38 76.998 -7.585 0.949 1.00 0.00 C ATOM 514 CG GLN A 38 77.810 -8.244 2.074 1.00 0.00 C ATOM 515 CD GLN A 38 79.245 -7.716 2.047 1.00 0.00 C ATOM 516 OE1 GLN A 38 80.187 -8.483 2.039 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.454 -6.427 2.034 1.00 0.00 N ATOM 0 H GLN A 38 75.626 -7.031 2.885 1.00 0.00 H new ATOM 0 HA GLN A 38 74.930 -7.577 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 38 77.434 -7.841 -0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 38 77.050 -6.501 1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.352 -8.031 3.040 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.808 -9.327 1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.664 -5.782 2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.407 -6.065 2.017 1.00 0.00 H new ATOM 526 N GLY A 39 75.148 -9.957 -0.469 1.00 0.00 N ATOM 527 CA GLY A 39 74.946 -11.406 -0.786 1.00 0.00 C ATOM 528 C GLY A 39 73.453 -11.767 -0.765 1.00 0.00 C ATOM 529 O GLY A 39 73.042 -12.707 -1.423 1.00 0.00 O ATOM 0 H GLY A 39 75.051 -9.329 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.365 -11.630 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.483 -12.019 -0.062 1.00 0.00 H new ATOM 533 N LYS A 40 72.647 -11.036 -0.022 1.00 0.00 N ATOM 534 CA LYS A 40 71.171 -11.304 0.002 1.00 0.00 C ATOM 535 C LYS A 40 70.469 -10.492 -1.090 1.00 0.00 C ATOM 536 O LYS A 40 70.952 -9.449 -1.496 1.00 0.00 O ATOM 537 CB LYS A 40 70.694 -10.858 1.388 1.00 0.00 C ATOM 538 CG LYS A 40 71.312 -11.757 2.462 1.00 0.00 C ATOM 539 CD LYS A 40 70.664 -13.142 2.407 1.00 0.00 C ATOM 540 CE LYS A 40 71.166 -13.989 3.580 1.00 0.00 C ATOM 541 NZ LYS A 40 70.080 -14.976 3.833 1.00 0.00 N ATOM 0 H LYS A 40 72.952 -10.263 0.570 1.00 0.00 H new ATOM 0 HA LYS A 40 70.946 -12.355 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.976 -9.820 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.606 -10.906 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 40 72.387 -11.841 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 40 71.167 -11.315 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 40 69.579 -13.049 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 40 70.905 -13.630 1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 40 72.104 -14.488 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 40 71.353 -13.374 4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 70.350 -15.594 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 69.202 -14.472 4.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 69.929 -15.552 2.980 1.00 0.00 H new ATOM 555 N THR A 41 69.339 -10.970 -1.561 1.00 0.00 N ATOM 556 CA THR A 41 68.584 -10.249 -2.634 1.00 0.00 C ATOM 557 C THR A 41 67.428 -9.450 -2.025 1.00 0.00 C ATOM 558 O THR A 41 66.891 -9.816 -0.995 1.00 0.00 O ATOM 559 CB THR A 41 68.050 -11.352 -3.550 1.00 0.00 C ATOM 560 OG1 THR A 41 69.110 -12.233 -3.895 1.00 0.00 O ATOM 561 CG2 THR A 41 67.471 -10.726 -4.820 1.00 0.00 C ATOM 0 H THR A 41 68.905 -11.837 -1.244 1.00 0.00 H new ATOM 0 HA THR A 41 69.210 -9.538 -3.173 1.00 0.00 H new ATOM 0 HB THR A 41 67.268 -11.908 -3.033 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.769 -12.941 -4.480 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.091 -11.512 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.658 -10.050 -4.554 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.251 -10.169 -5.339 1.00 0.00 H new ATOM 569 N VAL A 42 67.051 -8.364 -2.663 1.00 0.00 N ATOM 570 CA VAL A 42 65.978 -7.476 -2.111 1.00 0.00 C ATOM 571 C VAL A 42 64.989 -7.079 -3.214 1.00 0.00 C ATOM 572 O VAL A 42 65.375 -6.878 -4.355 1.00 0.00 O ATOM 573 CB VAL A 42 66.695 -6.234 -1.543 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.597 -6.652 -0.380 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.549 -5.545 -2.621 1.00 0.00 C ATOM 0 H VAL A 42 67.446 -8.054 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 42 65.401 -7.983 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 42 65.937 -5.531 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.104 -5.774 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.993 -7.111 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.338 -7.369 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 42 68.042 -4.673 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.301 -6.242 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.910 -5.231 -3.446 1.00 0.00 H new ATOM 585 N ARG A 43 63.725 -6.973 -2.871 1.00 0.00 N ATOM 586 CA ARG A 43 62.699 -6.460 -3.831 1.00 0.00 C ATOM 587 C ARG A 43 61.785 -5.453 -3.127 1.00 0.00 C ATOM 588 O ARG A 43 61.529 -5.565 -1.941 1.00 0.00 O ATOM 589 CB ARG A 43 61.901 -7.693 -4.259 1.00 0.00 C ATOM 590 CG ARG A 43 62.792 -8.623 -5.084 1.00 0.00 C ATOM 591 CD ARG A 43 61.960 -9.800 -5.610 1.00 0.00 C ATOM 592 NE ARG A 43 61.549 -10.585 -4.396 1.00 0.00 N ATOM 593 CZ ARG A 43 60.496 -11.383 -4.395 1.00 0.00 C ATOM 594 NH1 ARG A 43 59.741 -11.566 -5.456 1.00 0.00 N ATOM 595 NH2 ARG A 43 60.197 -12.024 -3.297 1.00 0.00 N ATOM 0 H ARG A 43 63.358 -7.224 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 43 63.148 -5.950 -4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.526 -8.218 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.033 -7.391 -4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.234 -8.076 -5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.616 -8.991 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.088 -9.447 -6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 43 62.543 -10.416 -6.295 1.00 0.00 H new ATOM 0 HE ARG A 43 62.102 -10.499 -3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 43 59.959 -11.082 -6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 43 58.937 -12.192 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 43 60.772 -11.903 -2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 43 59.388 -12.645 -3.273 1.00 0.00 H new ATOM 609 N THR A 44 61.286 -4.474 -3.855 1.00 0.00 N ATOM 610 CA THR A 44 60.420 -3.403 -3.237 1.00 0.00 C ATOM 611 C THR A 44 59.218 -4.008 -2.495 1.00 0.00 C ATOM 612 O THR A 44 58.591 -4.936 -2.978 1.00 0.00 O ATOM 613 CB THR A 44 59.928 -2.543 -4.408 1.00 0.00 C ATOM 614 OG1 THR A 44 61.029 -2.204 -5.239 1.00 0.00 O ATOM 615 CG2 THR A 44 59.280 -1.265 -3.873 1.00 0.00 C ATOM 0 H THR A 44 61.442 -4.369 -4.858 1.00 0.00 H new ATOM 0 HA THR A 44 60.983 -2.826 -2.503 1.00 0.00 H new ATOM 0 HB THR A 44 59.193 -3.104 -4.985 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.716 -1.656 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.932 -0.657 -4.708 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.435 -1.525 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 44 60.011 -0.701 -3.294 1.00 0.00 H new ATOM 623 N GLY A 45 58.904 -3.484 -1.331 1.00 0.00 N ATOM 624 CA GLY A 45 57.715 -3.968 -0.561 1.00 0.00 C ATOM 625 C GLY A 45 58.128 -4.966 0.534 1.00 0.00 C ATOM 626 O GLY A 45 57.363 -5.213 1.451 1.00 0.00 O ATOM 0 H GLY A 45 59.428 -2.734 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.202 -3.119 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 45 57.007 -4.443 -1.241 1.00 0.00 H new ATOM 630 N ASP A 46 59.316 -5.540 0.453 1.00 0.00 N ATOM 631 CA ASP A 46 59.795 -6.465 1.541 1.00 0.00 C ATOM 632 C ASP A 46 59.968 -5.706 2.861 1.00 0.00 C ATOM 633 O ASP A 46 60.220 -4.513 2.864 1.00 0.00 O ATOM 634 CB ASP A 46 61.150 -7.008 1.072 1.00 0.00 C ATOM 635 CG ASP A 46 60.948 -7.983 -0.092 1.00 0.00 C ATOM 636 OD1 ASP A 46 60.011 -8.763 -0.037 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.742 -7.935 -1.016 1.00 0.00 O ATOM 0 H ASP A 46 59.971 -5.407 -0.318 1.00 0.00 H new ATOM 0 HA ASP A 46 59.076 -7.265 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.793 -6.185 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.654 -7.512 1.896 1.00 0.00 H new ATOM 642 N VAL A 47 59.835 -6.395 3.970 1.00 0.00 N ATOM 643 CA VAL A 47 60.041 -5.754 5.309 1.00 0.00 C ATOM 644 C VAL A 47 60.933 -6.660 6.169 1.00 0.00 C ATOM 645 O VAL A 47 60.721 -7.858 6.236 1.00 0.00 O ATOM 646 CB VAL A 47 58.633 -5.608 5.924 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.722 -4.937 7.300 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.748 -4.741 5.019 1.00 0.00 C ATOM 0 H VAL A 47 59.590 -7.385 4.005 1.00 0.00 H new ATOM 0 HA VAL A 47 60.533 -4.784 5.240 1.00 0.00 H new ATOM 0 HB VAL A 47 58.201 -6.604 6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.722 -4.840 7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.339 -5.545 7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.169 -3.948 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.757 -4.645 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.195 -3.753 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.662 -5.209 4.038 1.00 0.00 H new ATOM 658 N ILE A 48 61.921 -6.087 6.821 1.00 0.00 N ATOM 659 CA ILE A 48 62.837 -6.894 7.695 1.00 0.00 C ATOM 660 C ILE A 48 63.104 -6.153 9.010 1.00 0.00 C ATOM 661 O ILE A 48 63.037 -4.939 9.066 1.00 0.00 O ATOM 662 CB ILE A 48 64.138 -7.107 6.895 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.785 -5.763 6.498 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.830 -7.918 5.631 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.733 -5.289 7.604 1.00 0.00 C ATOM 0 H ILE A 48 62.133 -5.090 6.785 1.00 0.00 H new ATOM 0 HA ILE A 48 62.394 -7.854 7.959 1.00 0.00 H new ATOM 0 HB ILE A 48 64.842 -7.647 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.333 -5.876 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 48 64.011 -5.015 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.748 -8.070 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.413 -8.885 5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 48 63.110 -7.376 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.184 -4.340 7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.174 -5.157 8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.516 -6.032 7.755 1.00 0.00 H new ATOM 677 N GLY A 49 63.400 -6.886 10.063 1.00 0.00 N ATOM 678 CA GLY A 49 63.619 -6.260 11.404 1.00 0.00 C ATOM 679 C GLY A 49 65.099 -6.350 11.779 1.00 0.00 C ATOM 680 O GLY A 49 65.750 -7.346 11.515 1.00 0.00 O ATOM 0 H GLY A 49 63.499 -7.901 10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.301 -5.218 11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.012 -6.765 12.155 1.00 0.00 H new ATOM 684 N ILE A 50 65.628 -5.315 12.392 1.00 0.00 N ATOM 685 CA ILE A 50 67.044 -5.345 12.882 1.00 0.00 C ATOM 686 C ILE A 50 67.078 -4.923 14.359 1.00 0.00 C ATOM 687 O ILE A 50 66.372 -4.017 14.763 1.00 0.00 O ATOM 688 CB ILE A 50 67.814 -4.343 11.994 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.745 -4.782 10.524 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.289 -4.283 12.417 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.212 -3.638 9.621 1.00 0.00 C ATOM 0 H ILE A 50 65.133 -4.442 12.575 1.00 0.00 H new ATOM 0 HA ILE A 50 67.490 -6.338 12.820 1.00 0.00 H new ATOM 0 HB ILE A 50 67.357 -3.361 12.111 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.371 -5.661 10.367 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.725 -5.067 10.267 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.821 -3.573 11.783 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.357 -3.963 13.457 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.738 -5.271 12.312 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.162 -3.953 8.579 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.568 -2.771 9.769 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.240 -3.374 9.871 1.00 0.00 H new ATOM 703 N SER A 51 67.888 -5.585 15.154 1.00 0.00 N ATOM 704 CA SER A 51 68.121 -5.132 16.564 1.00 0.00 C ATOM 705 C SER A 51 69.293 -4.147 16.616 1.00 0.00 C ATOM 706 O SER A 51 70.412 -4.495 16.280 1.00 0.00 O ATOM 707 CB SER A 51 68.456 -6.403 17.347 1.00 0.00 C ATOM 708 OG SER A 51 68.822 -6.053 18.675 1.00 0.00 O ATOM 0 H SER A 51 68.400 -6.425 14.884 1.00 0.00 H new ATOM 0 HA SER A 51 67.253 -4.619 16.978 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.597 -7.074 17.359 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.272 -6.939 16.862 1.00 0.00 H new ATOM 0 HG SER A 51 69.036 -6.865 19.180 1.00 0.00 H new ATOM 714 N ILE A 52 69.038 -2.927 17.035 1.00 0.00 N ATOM 715 CA ILE A 52 70.115 -1.885 17.086 1.00 0.00 C ATOM 716 C ILE A 52 70.212 -1.314 18.509 1.00 0.00 C ATOM 717 O ILE A 52 69.232 -0.854 19.066 1.00 0.00 O ATOM 718 CB ILE A 52 69.683 -0.796 16.076 1.00 0.00 C ATOM 719 CG1 ILE A 52 69.501 -1.391 14.659 1.00 0.00 C ATOM 720 CG2 ILE A 52 70.724 0.334 16.027 1.00 0.00 C ATOM 721 CD1 ILE A 52 70.802 -2.031 14.144 1.00 0.00 C ATOM 0 H ILE A 52 68.121 -2.607 17.346 1.00 0.00 H new ATOM 0 HA ILE A 52 71.097 -2.285 16.835 1.00 0.00 H new ATOM 0 HB ILE A 52 68.727 -0.393 16.412 1.00 0.00 H new ATOM 0 HG12 ILE A 52 68.709 -2.139 14.677 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.184 -0.607 13.972 1.00 0.00 H new ATOM 0 HG21 ILE A 52 70.405 1.092 15.312 1.00 0.00 H new ATOM 0 HG22 ILE A 52 70.819 0.785 17.015 1.00 0.00 H new ATOM 0 HG23 ILE A 52 71.688 -0.072 15.720 1.00 0.00 H new ATOM 0 HD11 ILE A 52 70.637 -2.438 13.147 1.00 0.00 H new ATOM 0 HD12 ILE A 52 71.587 -1.276 14.102 1.00 0.00 H new ATOM 0 HD13 ILE A 52 71.105 -2.833 14.818 1.00 0.00 H new ATOM 733 N LEU A 53 71.395 -1.344 19.094 1.00 0.00 N ATOM 734 CA LEU A 53 71.636 -0.739 20.456 1.00 0.00 C ATOM 735 C LEU A 53 70.607 -1.227 21.490 1.00 0.00 C ATOM 736 O LEU A 53 70.241 -0.501 22.399 1.00 0.00 O ATOM 737 CB LEU A 53 71.524 0.779 20.260 1.00 0.00 C ATOM 738 CG LEU A 53 72.674 1.268 19.378 1.00 0.00 C ATOM 739 CD1 LEU A 53 72.330 2.645 18.808 1.00 0.00 C ATOM 740 CD2 LEU A 53 73.951 1.367 20.214 1.00 0.00 C ATOM 0 H LEU A 53 72.221 -1.772 18.676 1.00 0.00 H new ATOM 0 HA LEU A 53 72.612 -1.032 20.843 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.568 1.027 19.799 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.553 1.284 21.226 1.00 0.00 H new ATOM 0 HG LEU A 53 72.829 0.565 18.560 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.149 2.994 18.179 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.420 2.575 18.212 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.175 3.349 19.626 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.771 1.715 19.586 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.797 2.070 21.032 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.197 0.386 20.620 1.00 0.00 H new ATOM 752 N GLY A 54 70.148 -2.451 21.347 1.00 0.00 N ATOM 753 CA GLY A 54 69.168 -3.024 22.322 1.00 0.00 C ATOM 754 C GLY A 54 67.756 -2.473 22.059 1.00 0.00 C ATOM 755 O GLY A 54 66.924 -2.477 22.950 1.00 0.00 O ATOM 0 H GLY A 54 70.414 -3.080 20.590 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.161 -4.111 22.242 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.475 -2.781 23.339 1.00 0.00 H new ATOM 759 N LYS A 55 67.480 -2.004 20.857 1.00 0.00 N ATOM 760 CA LYS A 55 66.121 -1.467 20.536 1.00 0.00 C ATOM 761 C LYS A 55 65.642 -2.022 19.193 1.00 0.00 C ATOM 762 O LYS A 55 66.397 -2.067 18.237 1.00 0.00 O ATOM 763 CB LYS A 55 66.300 0.051 20.454 1.00 0.00 C ATOM 764 CG LYS A 55 66.627 0.605 21.843 1.00 0.00 C ATOM 765 CD LYS A 55 66.525 2.132 21.822 1.00 0.00 C ATOM 766 CE LYS A 55 67.708 2.716 21.045 1.00 0.00 C ATOM 767 NZ LYS A 55 67.444 4.181 20.988 1.00 0.00 N ATOM 0 H LYS A 55 68.145 -1.973 20.085 1.00 0.00 H new ATOM 0 HA LYS A 55 65.379 -1.748 21.283 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.101 0.296 19.756 1.00 0.00 H new ATOM 0 HB3 LYS A 55 65.391 0.514 20.071 1.00 0.00 H new ATOM 0 HG2 LYS A 55 65.938 0.194 22.581 1.00 0.00 H new ATOM 0 HG3 LYS A 55 67.631 0.301 22.140 1.00 0.00 H new ATOM 0 HD2 LYS A 55 65.587 2.437 21.359 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.519 2.520 22.841 1.00 0.00 H new ATOM 0 HE2 LYS A 55 68.653 2.504 21.546 1.00 0.00 H new ATOM 0 HE3 LYS A 55 67.774 2.287 20.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 68.213 4.652 20.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 66.542 4.352 20.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 67.393 4.562 21.954 1.00 0.00 H new ATOM 781 N GLU A 56 64.399 -2.443 19.121 1.00 0.00 N ATOM 782 CA GLU A 56 63.865 -3.039 17.852 1.00 0.00 C ATOM 783 C GLU A 56 63.491 -1.932 16.863 1.00 0.00 C ATOM 784 O GLU A 56 62.725 -1.040 17.185 1.00 0.00 O ATOM 785 CB GLU A 56 62.620 -3.833 18.258 1.00 0.00 C ATOM 786 CG GLU A 56 62.188 -4.731 17.096 1.00 0.00 C ATOM 787 CD GLU A 56 60.878 -5.435 17.454 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.781 -5.941 18.560 1.00 0.00 O ATOM 789 OE2 GLU A 56 59.993 -5.459 16.614 1.00 0.00 O ATOM 0 H GLU A 56 63.730 -2.399 19.889 1.00 0.00 H new ATOM 0 HA GLU A 56 64.604 -3.673 17.362 1.00 0.00 H new ATOM 0 HB2 GLU A 56 62.832 -4.438 19.140 1.00 0.00 H new ATOM 0 HB3 GLU A 56 61.812 -3.152 18.526 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.058 -4.136 16.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 62.963 -5.468 16.884 1.00 0.00 H new ATOM 796 N VAL A 57 64.031 -1.990 15.665 1.00 0.00 N ATOM 797 CA VAL A 57 63.636 -1.021 14.589 1.00 0.00 C ATOM 798 C VAL A 57 63.175 -1.792 13.342 1.00 0.00 C ATOM 799 O VAL A 57 63.831 -2.718 12.900 1.00 0.00 O ATOM 800 CB VAL A 57 64.896 -0.165 14.318 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.080 -1.040 13.883 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.606 0.867 13.220 1.00 0.00 C ATOM 0 H VAL A 57 64.735 -2.673 15.385 1.00 0.00 H new ATOM 0 HA VAL A 57 62.801 -0.383 14.879 1.00 0.00 H new ATOM 0 HB VAL A 57 65.158 0.343 15.246 1.00 0.00 H new ATOM 0 HG11 VAL A 57 66.950 -0.410 13.700 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.311 -1.758 14.670 1.00 0.00 H new ATOM 0 HG13 VAL A 57 65.821 -1.575 12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.499 1.464 13.037 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.320 0.352 12.303 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.793 1.519 13.539 1.00 0.00 H new ATOM 812 N LYS A 58 62.045 -1.409 12.788 1.00 0.00 N ATOM 813 CA LYS A 58 61.542 -2.055 11.535 1.00 0.00 C ATOM 814 C LYS A 58 61.931 -1.219 10.312 1.00 0.00 C ATOM 815 O LYS A 58 61.783 -0.009 10.312 1.00 0.00 O ATOM 816 CB LYS A 58 60.019 -2.095 11.690 1.00 0.00 C ATOM 817 CG LYS A 58 59.642 -3.055 12.820 1.00 0.00 C ATOM 818 CD LYS A 58 58.119 -3.162 12.915 1.00 0.00 C ATOM 819 CE LYS A 58 57.740 -4.012 14.129 1.00 0.00 C ATOM 820 NZ LYS A 58 56.397 -4.566 13.804 1.00 0.00 N ATOM 0 H LYS A 58 61.447 -0.670 13.156 1.00 0.00 H new ATOM 0 HA LYS A 58 61.965 -3.049 11.389 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.639 -1.096 11.906 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.557 -2.417 10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.075 -4.038 12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.051 -2.699 13.765 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.679 -2.169 13.002 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.718 -3.609 12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 58 58.466 -4.808 14.296 1.00 0.00 H new ATOM 0 HE3 LYS A 58 57.710 -3.411 15.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.068 -5.162 14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 55.726 -3.785 13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 56.458 -5.138 12.938 1.00 0.00 H new ATOM 834 N PHE A 59 62.425 -1.861 9.277 1.00 0.00 N ATOM 835 CA PHE A 59 62.810 -1.133 8.027 1.00 0.00 C ATOM 836 C PHE A 59 61.991 -1.647 6.839 1.00 0.00 C ATOM 837 O PHE A 59 61.880 -2.845 6.634 1.00 0.00 O ATOM 838 CB PHE A 59 64.292 -1.447 7.822 1.00 0.00 C ATOM 839 CG PHE A 59 65.212 -0.624 8.693 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.505 0.731 8.343 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.793 -1.201 9.864 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.378 1.508 9.166 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.666 -0.424 10.685 1.00 0.00 C ATOM 844 CZ PHE A 59 66.959 0.930 10.338 1.00 0.00 C ATOM 0 H PHE A 59 62.579 -2.869 9.247 1.00 0.00 H new ATOM 0 HA PHE A 59 62.625 -0.062 8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.462 -2.504 8.026 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.549 -1.279 6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 59 65.067 1.167 7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.572 -2.225 10.128 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.599 2.532 8.903 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.105 -0.861 11.570 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.619 1.517 10.960 1.00 0.00 H new ATOM 854 N LYS A 60 61.423 -0.748 6.066 1.00 0.00 N ATOM 855 CA LYS A 60 60.687 -1.152 4.829 1.00 0.00 C ATOM 856 C LYS A 60 61.501 -0.783 3.585 1.00 0.00 C ATOM 857 O LYS A 60 62.130 0.260 3.541 1.00 0.00 O ATOM 858 CB LYS A 60 59.381 -0.357 4.867 1.00 0.00 C ATOM 859 CG LYS A 60 58.435 -0.879 3.784 1.00 0.00 C ATOM 860 CD LYS A 60 57.154 -0.044 3.778 1.00 0.00 C ATOM 861 CE LYS A 60 56.165 -0.633 2.769 1.00 0.00 C ATOM 862 NZ LYS A 60 55.164 0.446 2.538 1.00 0.00 N ATOM 0 H LYS A 60 61.440 0.256 6.244 1.00 0.00 H new ATOM 0 HA LYS A 60 60.510 -2.227 4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.915 -0.450 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.583 0.702 4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.919 -0.828 2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.198 -1.927 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.710 -0.032 4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.382 0.990 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.666 -0.912 1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.692 -1.534 3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.451 0.118 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.699 0.686 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.643 1.288 2.160 1.00 0.00 H new ATOM 876 N VAL A 61 61.487 -1.633 2.582 1.00 0.00 N ATOM 877 CA VAL A 61 62.200 -1.323 1.299 1.00 0.00 C ATOM 878 C VAL A 61 61.287 -0.472 0.409 1.00 0.00 C ATOM 879 O VAL A 61 60.232 -0.919 -0.007 1.00 0.00 O ATOM 880 CB VAL A 61 62.507 -2.685 0.639 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.276 -2.477 -0.672 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.367 -3.544 1.576 1.00 0.00 C ATOM 0 H VAL A 61 61.009 -2.534 2.598 1.00 0.00 H new ATOM 0 HA VAL A 61 63.120 -0.760 1.460 1.00 0.00 H new ATOM 0 HB VAL A 61 61.561 -3.187 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.487 -3.445 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.675 -1.877 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.214 -1.961 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.577 -4.502 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.305 -3.028 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.831 -3.712 2.510 1.00 0.00 H new ATOM 892 N VAL A 62 61.697 0.742 0.117 1.00 0.00 N ATOM 893 CA VAL A 62 60.810 1.696 -0.628 1.00 0.00 C ATOM 894 C VAL A 62 60.858 1.362 -2.124 1.00 0.00 C ATOM 895 O VAL A 62 59.840 1.358 -2.793 1.00 0.00 O ATOM 896 CB VAL A 62 61.369 3.109 -0.356 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.503 4.166 -1.052 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.371 3.396 1.150 1.00 0.00 C ATOM 0 H VAL A 62 62.614 1.115 0.364 1.00 0.00 H new ATOM 0 HA VAL A 62 59.770 1.631 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 62 62.387 3.152 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.908 5.158 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.501 3.985 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.483 4.108 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.767 4.395 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.352 3.335 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.995 2.661 1.660 1.00 0.00 H new ATOM 908 N GLN A 63 62.037 1.085 -2.639 1.00 0.00 N ATOM 909 CA GLN A 63 62.182 0.752 -4.093 1.00 0.00 C ATOM 910 C GLN A 63 63.546 0.110 -4.362 1.00 0.00 C ATOM 911 O GLN A 63 64.569 0.621 -3.939 1.00 0.00 O ATOM 912 CB GLN A 63 62.071 2.090 -4.827 1.00 0.00 C ATOM 913 CG GLN A 63 61.799 1.838 -6.311 1.00 0.00 C ATOM 914 CD GLN A 63 60.339 1.422 -6.508 1.00 0.00 C ATOM 915 OE1 GLN A 63 59.458 1.903 -5.821 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.041 0.545 -7.428 1.00 0.00 N ATOM 0 H GLN A 63 62.909 1.076 -2.109 1.00 0.00 H new ATOM 0 HA GLN A 63 61.425 0.041 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.268 2.688 -4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 63 62.992 2.660 -4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.011 2.739 -6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.462 1.058 -6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.778 0.141 -8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 63 59.071 0.264 -7.570 1.00 0.00 H new ATOM 925 N ALA A 64 63.557 -1.003 -5.060 1.00 0.00 N ATOM 926 CA ALA A 64 64.844 -1.619 -5.510 1.00 0.00 C ATOM 927 C ALA A 64 65.085 -1.310 -6.990 1.00 0.00 C ATOM 928 O ALA A 64 64.189 -1.434 -7.805 1.00 0.00 O ATOM 929 CB ALA A 64 64.659 -3.122 -5.298 1.00 0.00 C ATOM 0 H ALA A 64 62.720 -1.514 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 64 65.703 -1.234 -4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.563 -3.647 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.466 -3.320 -4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.816 -3.472 -5.893 1.00 0.00 H new ATOM 935 N TYR A 65 66.288 -0.906 -7.332 1.00 0.00 N ATOM 936 CA TYR A 65 66.604 -0.540 -8.749 1.00 0.00 C ATOM 937 C TYR A 65 67.880 -1.272 -9.218 1.00 0.00 C ATOM 938 O TYR A 65 68.923 -1.052 -8.636 1.00 0.00 O ATOM 939 CB TYR A 65 66.851 0.971 -8.710 1.00 0.00 C ATOM 940 CG TYR A 65 65.590 1.795 -8.824 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.662 1.546 -9.884 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.324 2.828 -7.871 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.471 2.329 -9.990 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.134 3.610 -7.978 1.00 0.00 C ATOM 945 CZ TYR A 65 63.207 3.361 -9.037 1.00 0.00 C ATOM 946 OH TYR A 65 62.056 4.116 -9.140 1.00 0.00 O ATOM 0 H TYR A 65 67.070 -0.814 -6.683 1.00 0.00 H new ATOM 0 HA TYR A 65 65.805 -0.816 -9.437 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.357 1.224 -7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.526 1.241 -9.522 1.00 0.00 H new ATOM 0 HD1 TYR A 65 64.861 0.766 -10.604 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.024 3.017 -7.070 1.00 0.00 H new ATOM 0 HE1 TYR A 65 62.771 2.141 -10.790 1.00 0.00 H new ATOM 0 HE2 TYR A 65 63.934 4.390 -7.258 1.00 0.00 H new ATOM 0 HH TYR A 65 62.029 4.773 -8.413 1.00 0.00 H new ATOM 956 N PRO A 66 67.811 -2.118 -10.241 1.00 0.00 N ATOM 957 CA PRO A 66 66.542 -2.729 -10.762 1.00 0.00 C ATOM 958 C PRO A 66 66.061 -3.834 -9.817 1.00 0.00 C ATOM 959 O PRO A 66 66.817 -4.310 -8.992 1.00 0.00 O ATOM 960 CB PRO A 66 66.967 -3.322 -12.103 1.00 0.00 C ATOM 961 CG PRO A 66 68.410 -3.643 -11.923 1.00 0.00 C ATOM 962 CD PRO A 66 68.972 -2.585 -11.016 1.00 0.00 C ATOM 0 HA PRO A 66 65.722 -2.016 -10.849 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.388 -4.214 -12.345 1.00 0.00 H new ATOM 0 HB3 PRO A 66 66.816 -2.613 -12.917 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.536 -4.634 -11.487 1.00 0.00 H new ATOM 0 HG3 PRO A 66 68.929 -3.648 -12.882 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.748 -2.989 -10.366 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.424 -1.772 -11.585 1.00 0.00 H new ATOM 970 N SER A 67 64.818 -4.240 -9.938 1.00 0.00 N ATOM 971 CA SER A 67 64.289 -5.345 -9.080 1.00 0.00 C ATOM 972 C SER A 67 64.235 -6.659 -9.891 1.00 0.00 C ATOM 973 O SER A 67 63.907 -6.612 -11.060 1.00 0.00 O ATOM 974 CB SER A 67 62.877 -4.903 -8.694 1.00 0.00 C ATOM 975 OG SER A 67 62.937 -3.638 -8.052 1.00 0.00 O ATOM 0 H SER A 67 64.145 -3.850 -10.598 1.00 0.00 H new ATOM 0 HA SER A 67 64.914 -5.528 -8.206 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.248 -4.843 -9.582 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.423 -5.639 -8.030 1.00 0.00 H new ATOM 0 HG SER A 67 63.844 -3.275 -8.129 1.00 0.00 H new ATOM 981 N PRO A 68 64.547 -7.802 -9.290 1.00 0.00 N ATOM 982 CA PRO A 68 65.298 -7.901 -7.994 1.00 0.00 C ATOM 983 C PRO A 68 66.779 -7.565 -8.200 1.00 0.00 C ATOM 984 O PRO A 68 67.277 -7.603 -9.312 1.00 0.00 O ATOM 985 CB PRO A 68 65.130 -9.366 -7.600 1.00 0.00 C ATOM 986 CG PRO A 68 64.957 -10.079 -8.897 1.00 0.00 C ATOM 987 CD PRO A 68 64.206 -9.140 -9.801 1.00 0.00 C ATOM 0 HA PRO A 68 64.933 -7.209 -7.235 1.00 0.00 H new ATOM 0 HB2 PRO A 68 66.000 -9.734 -7.057 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.266 -9.507 -6.950 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.923 -10.343 -9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.405 -11.009 -8.758 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.510 -9.259 -10.841 1.00 0.00 H new ATOM 0 HD3 PRO A 68 63.132 -9.321 -9.760 1.00 0.00 H new ATOM 995 N LEU A 69 67.477 -7.237 -7.135 1.00 0.00 N ATOM 996 CA LEU A 69 68.967 -7.102 -7.205 1.00 0.00 C ATOM 997 C LEU A 69 69.615 -7.619 -5.913 1.00 0.00 C ATOM 998 O LEU A 69 68.985 -7.650 -4.872 1.00 0.00 O ATOM 999 CB LEU A 69 69.246 -5.602 -7.415 1.00 0.00 C ATOM 1000 CG LEU A 69 68.711 -4.760 -6.239 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.789 -4.651 -5.151 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.326 -3.353 -6.730 1.00 0.00 C ATOM 0 H LEU A 69 67.074 -7.056 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 69 69.390 -7.693 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.319 -5.441 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.781 -5.270 -8.343 1.00 0.00 H new ATOM 0 HG LEU A 69 67.827 -5.246 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.409 -4.056 -4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.048 -5.648 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.676 -4.172 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.949 -2.766 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.203 -2.862 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.553 -3.433 -7.494 1.00 0.00 H new ATOM 1014 N ARG A 70 70.863 -8.027 -5.987 1.00 0.00 N ATOM 1015 CA ARG A 70 71.617 -8.420 -4.754 1.00 0.00 C ATOM 1016 C ARG A 70 72.401 -7.220 -4.216 1.00 0.00 C ATOM 1017 O ARG A 70 72.870 -6.390 -4.975 1.00 0.00 O ATOM 1018 CB ARG A 70 72.573 -9.533 -5.199 1.00 0.00 C ATOM 1019 CG ARG A 70 71.893 -10.896 -5.041 1.00 0.00 C ATOM 1020 CD ARG A 70 72.613 -11.931 -5.912 1.00 0.00 C ATOM 1021 NE ARG A 70 73.920 -12.204 -5.224 1.00 0.00 N ATOM 1022 CZ ARG A 70 74.969 -12.694 -5.867 1.00 0.00 C ATOM 1023 NH1 ARG A 70 74.940 -12.992 -7.148 1.00 0.00 N ATOM 1024 NH2 ARG A 70 76.072 -12.895 -5.201 1.00 0.00 N ATOM 0 H ARG A 70 71.393 -8.104 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 70 70.955 -8.755 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.865 -9.380 -6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.486 -9.501 -4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.915 -11.206 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.845 -10.827 -5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.022 -12.842 -6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 70 72.774 -11.550 -6.921 1.00 0.00 H new ATOM 0 HE ARG A 70 74.002 -12.005 -4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 70 74.086 -12.848 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 70 75.772 -13.367 -7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 70 76.114 -12.676 -4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 70 76.893 -13.272 -5.675 1.00 0.00 H new ATOM 1038 N VAL A 71 72.542 -7.133 -2.911 1.00 0.00 N ATOM 1039 CA VAL A 71 73.295 -5.991 -2.292 1.00 0.00 C ATOM 1040 C VAL A 71 74.802 -6.257 -2.414 1.00 0.00 C ATOM 1041 O VAL A 71 75.273 -7.327 -2.072 1.00 0.00 O ATOM 1042 CB VAL A 71 72.859 -5.938 -0.812 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.554 -4.774 -0.095 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.342 -5.731 -0.717 1.00 0.00 C ATOM 0 H VAL A 71 72.166 -7.808 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 71 73.086 -5.041 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 71 73.137 -6.881 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 71 73.238 -4.748 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.634 -4.910 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.285 -3.835 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 71 71.045 -5.695 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 71 71.072 -4.794 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.830 -6.557 -1.211 1.00 0.00 H new ATOM 1054 N GLU A 72 75.545 -5.288 -2.900 1.00 0.00 N ATOM 1055 CA GLU A 72 77.027 -5.442 -3.030 1.00 0.00 C ATOM 1056 C GLU A 72 77.736 -4.221 -2.437 1.00 0.00 C ATOM 1057 O GLU A 72 77.122 -3.192 -2.214 1.00 0.00 O ATOM 1058 CB GLU A 72 77.280 -5.535 -4.536 1.00 0.00 C ATOM 1059 CG GLU A 72 78.732 -5.948 -4.790 1.00 0.00 C ATOM 1060 CD GLU A 72 78.965 -6.094 -6.295 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.135 -6.708 -6.946 1.00 0.00 O ATOM 1062 OE2 GLU A 72 79.969 -5.590 -6.771 1.00 0.00 O ATOM 0 H GLU A 72 75.181 -4.389 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 72 77.404 -6.316 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.601 -6.261 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.077 -4.574 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.411 -5.202 -4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.947 -6.890 -4.285 1.00 0.00 H new ATOM 1069 N ASP A 73 79.023 -4.333 -2.183 1.00 0.00 N ATOM 1070 CA ASP A 73 79.812 -3.172 -1.635 1.00 0.00 C ATOM 1071 C ASP A 73 79.768 -1.972 -2.594 1.00 0.00 C ATOM 1072 O ASP A 73 79.860 -0.834 -2.168 1.00 0.00 O ATOM 1073 CB ASP A 73 81.254 -3.675 -1.492 1.00 0.00 C ATOM 1074 CG ASP A 73 81.311 -4.764 -0.419 1.00 0.00 C ATOM 1075 OD1 ASP A 73 80.727 -4.561 0.634 1.00 0.00 O ATOM 1076 OD2 ASP A 73 81.938 -5.780 -0.666 1.00 0.00 O ATOM 0 H ASP A 73 79.565 -5.184 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 73 79.400 -2.834 -0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.609 -4.069 -2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.913 -2.850 -1.223 1.00 0.00 H new ATOM 1081 N ARG A 74 79.629 -2.228 -3.877 1.00 0.00 N ATOM 1082 CA ARG A 74 79.525 -1.114 -4.877 1.00 0.00 C ATOM 1083 C ARG A 74 78.094 -0.557 -4.952 1.00 0.00 C ATOM 1084 O ARG A 74 77.893 0.556 -5.407 1.00 0.00 O ATOM 1085 CB ARG A 74 79.922 -1.729 -6.225 1.00 0.00 C ATOM 1086 CG ARG A 74 81.399 -2.128 -6.193 1.00 0.00 C ATOM 1087 CD ARG A 74 81.810 -2.674 -7.565 1.00 0.00 C ATOM 1088 NE ARG A 74 83.167 -3.288 -7.369 1.00 0.00 N ATOM 1089 CZ ARG A 74 83.643 -4.223 -8.175 1.00 0.00 C ATOM 1090 NH1 ARG A 74 82.975 -4.671 -9.216 1.00 0.00 N ATOM 1091 NH2 ARG A 74 84.826 -4.715 -7.932 1.00 0.00 N ATOM 0 H ARG A 74 79.583 -3.166 -4.275 1.00 0.00 H new ATOM 0 HA ARG A 74 80.169 -0.280 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.304 -2.602 -6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.746 -1.014 -7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 74 82.014 -1.266 -5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.566 -2.882 -5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.094 -3.414 -7.922 1.00 0.00 H new ATOM 0 HD3 ARG A 74 81.844 -1.878 -8.309 1.00 0.00 H new ATOM 0 HE ARG A 74 83.741 -2.973 -6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 74 82.051 -4.296 -9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 74 83.381 -5.393 -9.810 1.00 0.00 H new ATOM 0 HH21 ARG A 74 85.364 -4.378 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 74 85.213 -5.437 -8.540 1.00 0.00 H new ATOM 1105 N THR A 75 77.106 -1.313 -4.512 1.00 0.00 N ATOM 1106 CA THR A 75 75.682 -0.835 -4.588 1.00 0.00 C ATOM 1107 C THR A 75 75.472 0.359 -3.649 1.00 0.00 C ATOM 1108 O THR A 75 75.878 0.327 -2.501 1.00 0.00 O ATOM 1109 CB THR A 75 74.812 -2.018 -4.148 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.206 -3.183 -4.860 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.343 -1.712 -4.441 1.00 0.00 C ATOM 0 H THR A 75 77.226 -2.240 -4.104 1.00 0.00 H new ATOM 0 HA THR A 75 75.425 -0.506 -5.595 1.00 0.00 H new ATOM 0 HB THR A 75 74.939 -2.184 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.954 -3.091 -5.803 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.726 -2.554 -4.127 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.042 -0.818 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.212 -1.545 -5.510 1.00 0.00 H new ATOM 1119 N LYS A 76 74.839 1.402 -4.139 1.00 0.00 N ATOM 1120 CA LYS A 76 74.616 2.630 -3.306 1.00 0.00 C ATOM 1121 C LYS A 76 73.314 2.497 -2.511 1.00 0.00 C ATOM 1122 O LYS A 76 72.299 2.090 -3.046 1.00 0.00 O ATOM 1123 CB LYS A 76 74.512 3.788 -4.304 1.00 0.00 C ATOM 1124 CG LYS A 76 75.854 3.980 -5.015 1.00 0.00 C ATOM 1125 CD LYS A 76 75.741 5.130 -6.018 1.00 0.00 C ATOM 1126 CE LYS A 76 76.901 5.055 -7.013 1.00 0.00 C ATOM 1127 NZ LYS A 76 76.886 6.367 -7.719 1.00 0.00 N ATOM 0 H LYS A 76 74.465 1.455 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 76 75.421 2.786 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.729 3.582 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.231 4.704 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.636 4.194 -4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.140 3.062 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 76 74.790 5.073 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 76 75.758 6.086 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 76 77.850 4.892 -6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 76 76.769 4.229 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 77.654 6.393 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 75.973 6.491 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.020 7.134 -7.029 1.00 0.00 H new ATOM 1141 N ILE A 77 73.343 2.837 -1.241 1.00 0.00 N ATOM 1142 CA ILE A 77 72.109 2.747 -0.393 1.00 0.00 C ATOM 1143 C ILE A 77 71.851 4.104 0.277 1.00 0.00 C ATOM 1144 O ILE A 77 72.749 4.703 0.841 1.00 0.00 O ATOM 1145 CB ILE A 77 72.401 1.644 0.646 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.652 0.309 -0.069 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.204 1.471 1.593 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.258 -0.696 0.910 1.00 0.00 C ATOM 0 H ILE A 77 74.173 3.175 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 77 71.216 2.505 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 77 73.282 1.937 1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.717 -0.080 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.325 0.459 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.425 0.690 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 77 71.014 2.409 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.322 1.191 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.434 -1.642 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.203 -0.308 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.570 -0.856 1.740 1.00 0.00 H new ATOM 1160 N THR A 78 70.626 4.579 0.213 1.00 0.00 N ATOM 1161 CA THR A 78 70.287 5.921 0.784 1.00 0.00 C ATOM 1162 C THR A 78 69.114 5.804 1.761 1.00 0.00 C ATOM 1163 O THR A 78 68.163 5.084 1.510 1.00 0.00 O ATOM 1164 CB THR A 78 69.892 6.775 -0.421 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.879 6.649 -1.435 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.778 8.239 0.005 1.00 0.00 C ATOM 0 H THR A 78 69.841 4.088 -0.215 1.00 0.00 H new ATOM 0 HA THR A 78 71.120 6.353 1.339 1.00 0.00 H new ATOM 0 HB THR A 78 68.931 6.436 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.625 7.195 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.496 8.847 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 78 69.019 8.334 0.781 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.738 8.581 0.393 1.00 0.00 H new ATOM 1174 N LEU A 79 69.184 6.510 2.867 1.00 0.00 N ATOM 1175 CA LEU A 79 68.064 6.499 3.859 1.00 0.00 C ATOM 1176 C LEU A 79 67.206 7.758 3.703 1.00 0.00 C ATOM 1177 O LEU A 79 67.722 8.863 3.673 1.00 0.00 O ATOM 1178 CB LEU A 79 68.746 6.485 5.229 1.00 0.00 C ATOM 1179 CG LEU A 79 69.475 5.153 5.429 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.392 5.252 6.650 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.451 4.039 5.653 1.00 0.00 C ATOM 0 H LEU A 79 69.977 7.098 3.125 1.00 0.00 H new ATOM 0 HA LEU A 79 67.403 5.643 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.452 7.312 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 79 68.005 6.627 6.016 1.00 0.00 H new ATOM 0 HG LEU A 79 70.069 4.929 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.911 4.304 6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.122 6.046 6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.797 5.477 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.970 3.091 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.857 4.264 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.796 3.967 4.785 1.00 0.00 H new ATOM 1193 N VAL A 80 65.905 7.592 3.603 1.00 0.00 N ATOM 1194 CA VAL A 80 64.985 8.767 3.477 1.00 0.00 C ATOM 1195 C VAL A 80 64.478 9.171 4.869 1.00 0.00 C ATOM 1196 O VAL A 80 64.089 8.329 5.659 1.00 0.00 O ATOM 1197 CB VAL A 80 63.825 8.291 2.578 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.800 9.418 2.386 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.362 7.885 1.201 1.00 0.00 C ATOM 0 H VAL A 80 65.440 6.684 3.604 1.00 0.00 H new ATOM 0 HA VAL A 80 65.477 9.640 3.048 1.00 0.00 H new ATOM 0 HB VAL A 80 63.348 7.438 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.988 9.067 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.399 9.714 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.284 10.274 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.537 7.550 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.850 8.741 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.082 7.075 1.316 1.00 0.00 H new