USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 571 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 73 ASN : amide:sc= 0.58 K(o=-3.4,f=-4) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -3.99! C(o=-4.5!,f=-3.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= -0.041 (180deg=-0.337) USER MOD Single : A 13 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.7!) USER MOD Single : A 14 GLN : amide:sc= -4.82! C(o=-4.8!,f=-7.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.261 K(o=-0.26,f=-3.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 24 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.58) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= -1.21 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -46:sc= 0.836 USER MOD Single : A 64 THR OG1 : rot 180:sc= -4.99! USER MOD Single : A 66 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.65) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -4.53! C(o=-4.5!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.259 -8.543 -10.961 1.00 0.00 N ATOM 27 CA ILE A 3 -2.412 -8.002 -9.911 1.00 0.00 C ATOM 28 C ILE A 3 -2.803 -6.547 -9.645 1.00 0.00 C ATOM 29 O ILE A 3 -3.282 -6.218 -8.561 1.00 0.00 O ATOM 30 CB ILE A 3 -0.935 -8.188 -10.265 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.340 -9.385 -9.522 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.145 -6.903 -10.009 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.577 -8.925 -8.386 1.00 0.00 C ATOM 0 HA ILE A 3 -2.564 -8.548 -8.980 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.863 -8.403 -11.331 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.142 -10.003 -9.119 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.222 -10.007 -10.219 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.902 -7.062 -10.268 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.552 -6.098 -10.620 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.221 -6.633 -8.956 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.987 -9.796 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.392 -8.328 -8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.006 -8.323 -7.679 1.00 0.00 H new ATOM 45 N GLU A 4 -2.584 -5.716 -10.653 1.00 0.00 N ATOM 46 CA GLU A 4 -2.907 -4.303 -10.541 1.00 0.00 C ATOM 47 C GLU A 4 -4.330 -4.125 -10.008 1.00 0.00 C ATOM 48 O GLU A 4 -4.585 -3.240 -9.192 1.00 0.00 O ATOM 49 CB GLU A 4 -2.733 -3.593 -11.885 1.00 0.00 C ATOM 50 CG GLU A 4 -3.537 -2.292 -11.926 1.00 0.00 C ATOM 51 CD GLU A 4 -3.361 -1.581 -13.270 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.324 -1.472 -14.044 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.174 -1.132 -13.498 1.00 0.00 O ATOM 0 H GLU A 4 -2.187 -5.993 -11.551 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.215 -3.847 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.678 -3.378 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.057 -4.250 -12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.593 -2.507 -11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.214 -1.635 -11.118 1.00 0.00 H new ATOM 61 N GLU A 5 -5.221 -4.980 -10.490 1.00 0.00 N ATOM 62 CA GLU A 5 -6.611 -4.927 -10.072 1.00 0.00 C ATOM 63 C GLU A 5 -6.709 -4.985 -8.546 1.00 0.00 C ATOM 64 O GLU A 5 -7.556 -4.322 -7.949 1.00 0.00 O ATOM 65 CB GLU A 5 -7.420 -6.055 -10.716 1.00 0.00 C ATOM 66 CG GLU A 5 -8.703 -6.329 -9.929 1.00 0.00 C ATOM 67 CD GLU A 5 -9.845 -6.731 -10.864 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.872 -6.304 -12.028 1.00 0.00 O ATOM 69 OE2 GLU A 5 -10.726 -7.516 -10.342 1.00 0.00 O ATOM 0 H GLU A 5 -5.007 -5.713 -11.166 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.036 -3.981 -10.408 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.669 -5.788 -11.743 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.816 -6.961 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.526 -7.123 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.985 -5.439 -9.366 1.00 0.00 H new ATOM 77 N ARG A 6 -5.830 -5.784 -7.958 1.00 0.00 N ATOM 78 CA ARG A 6 -5.807 -5.937 -6.514 1.00 0.00 C ATOM 79 C ARG A 6 -5.031 -4.785 -5.870 1.00 0.00 C ATOM 80 O ARG A 6 -5.148 -4.548 -4.669 1.00 0.00 O ATOM 81 CB ARG A 6 -5.163 -7.264 -6.110 1.00 0.00 C ATOM 82 CG ARG A 6 -6.063 -8.445 -6.479 1.00 0.00 C ATOM 83 CD ARG A 6 -5.576 -9.734 -5.814 1.00 0.00 C ATOM 84 NE ARG A 6 -6.632 -10.278 -4.931 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.768 -10.855 -5.376 1.00 0.00 C ATOM 86 NH1 ARG A 6 -8.006 -10.969 -6.701 1.00 0.00 N ATOM 87 NH2 ARG A 6 -8.644 -11.306 -4.498 1.00 0.00 N ATOM 0 H ARG A 6 -5.129 -6.332 -8.456 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.839 -5.926 -6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.198 -7.369 -6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.973 -7.268 -5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.087 -8.237 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.076 -8.573 -7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.313 -10.469 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.673 -9.536 -5.236 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.492 -10.213 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.324 -10.618 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.867 -11.406 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.458 -11.216 -3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.507 -11.745 -4.818 1.00 0.00 H new ATOM 100 N VAL A 7 -4.257 -4.100 -6.699 1.00 0.00 N ATOM 101 CA VAL A 7 -3.463 -2.979 -6.226 1.00 0.00 C ATOM 102 C VAL A 7 -4.350 -1.737 -6.124 1.00 0.00 C ATOM 103 O VAL A 7 -4.496 -1.160 -5.048 1.00 0.00 O ATOM 104 CB VAL A 7 -2.251 -2.775 -7.138 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.519 -1.476 -6.794 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.303 -3.974 -7.067 1.00 0.00 C ATOM 0 H VAL A 7 -4.163 -4.300 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.073 -3.182 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.613 -2.695 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.662 -1.355 -7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.197 -0.632 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.176 -1.515 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.450 -3.803 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.952 -4.100 -6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.830 -4.874 -7.383 1.00 0.00 H new ATOM 116 N LYS A 8 -4.921 -1.362 -7.260 1.00 0.00 N ATOM 117 CA LYS A 8 -5.790 -0.199 -7.312 1.00 0.00 C ATOM 118 C LYS A 8 -6.899 -0.350 -6.269 1.00 0.00 C ATOM 119 O LYS A 8 -7.550 0.628 -5.904 1.00 0.00 O ATOM 120 CB LYS A 8 -6.310 0.018 -8.735 1.00 0.00 C ATOM 121 CG LYS A 8 -7.826 -0.173 -8.800 1.00 0.00 C ATOM 122 CD LYS A 8 -8.205 -1.635 -8.558 1.00 0.00 C ATOM 123 CE LYS A 8 -9.369 -2.056 -9.458 1.00 0.00 C ATOM 124 NZ LYS A 8 -10.559 -2.391 -8.644 1.00 0.00 N ATOM 0 H LYS A 8 -4.799 -1.843 -8.151 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.234 0.704 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.052 1.022 -9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.822 -0.681 -9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.308 0.460 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.195 0.145 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.343 -2.274 -8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.480 -1.775 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.610 -1.250 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.078 -2.917 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.339 -2.675 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.330 -3.175 -8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.845 -1.559 -8.089 1.00 0.00 H new ATOM 137 N LYS A 9 -7.080 -1.582 -5.818 1.00 0.00 N ATOM 138 CA LYS A 9 -8.099 -1.873 -4.824 1.00 0.00 C ATOM 139 C LYS A 9 -7.586 -1.469 -3.440 1.00 0.00 C ATOM 140 O LYS A 9 -8.152 -0.585 -2.798 1.00 0.00 O ATOM 141 CB LYS A 9 -8.533 -3.337 -4.914 1.00 0.00 C ATOM 142 CG LYS A 9 -10.056 -3.463 -4.838 1.00 0.00 C ATOM 143 CD LYS A 9 -10.526 -4.797 -5.421 1.00 0.00 C ATOM 144 CE LYS A 9 -11.937 -5.141 -4.938 1.00 0.00 C ATOM 145 NZ LYS A 9 -11.920 -5.496 -3.502 1.00 0.00 N ATOM 0 H LYS A 9 -6.538 -2.391 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.997 -1.285 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.175 -3.769 -5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.077 -3.906 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.380 -3.381 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.520 -2.641 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.513 -4.747 -6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.835 -5.588 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.601 -4.292 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.334 -5.973 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.758 -6.068 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.061 -6.042 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.929 -4.628 -2.930 1.00 0.00 H new ATOM 158 N ILE A 10 -6.520 -2.135 -3.021 1.00 0.00 N ATOM 159 CA ILE A 10 -5.924 -1.856 -1.726 1.00 0.00 C ATOM 160 C ILE A 10 -5.691 -0.350 -1.590 1.00 0.00 C ATOM 161 O ILE A 10 -5.871 0.216 -0.513 1.00 0.00 O ATOM 162 CB ILE A 10 -4.660 -2.694 -1.525 1.00 0.00 C ATOM 163 CG1 ILE A 10 -4.987 -4.189 -1.529 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.918 -2.273 -0.255 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.028 -4.745 -0.104 1.00 0.00 C ATOM 0 H ILE A 10 -6.054 -2.868 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.603 -2.148 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.990 -2.508 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.949 -4.353 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.239 -4.727 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.024 -2.885 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.633 -1.224 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.568 -2.410 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.262 -5.809 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.057 -4.601 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.793 -4.222 0.469 1.00 0.00 H new ATOM 177 N ILE A 11 -5.294 0.258 -2.699 1.00 0.00 N ATOM 178 CA ILE A 11 -5.034 1.687 -2.717 1.00 0.00 C ATOM 179 C ILE A 11 -6.239 2.427 -2.133 1.00 0.00 C ATOM 180 O ILE A 11 -6.078 3.386 -1.379 1.00 0.00 O ATOM 181 CB ILE A 11 -4.656 2.145 -4.128 1.00 0.00 C ATOM 182 CG1 ILE A 11 -3.306 1.561 -4.550 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.679 3.671 -4.233 1.00 0.00 C ATOM 184 CD1 ILE A 11 -2.155 2.263 -3.827 1.00 0.00 C ATOM 0 H ILE A 11 -5.146 -0.214 -3.591 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.176 1.926 -2.088 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.403 1.763 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.282 0.494 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.181 1.666 -5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.407 3.970 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.680 4.036 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.967 4.095 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.207 1.829 -4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.167 3.326 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.270 2.135 -2.751 1.00 0.00 H new ATOM 196 N GLY A 12 -7.420 1.955 -2.504 1.00 0.00 N ATOM 197 CA GLY A 12 -8.652 2.560 -2.026 1.00 0.00 C ATOM 198 C GLY A 12 -8.710 2.551 -0.497 1.00 0.00 C ATOM 199 O GLY A 12 -9.323 3.428 0.110 1.00 0.00 O ATOM 0 H GLY A 12 -7.550 1.160 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.723 3.585 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.508 2.018 -2.429 1.00 0.00 H new ATOM 203 N GLN A 13 -8.064 1.550 0.082 1.00 0.00 N ATOM 204 CA GLN A 13 -8.034 1.415 1.528 1.00 0.00 C ATOM 205 C GLN A 13 -6.931 2.294 2.121 1.00 0.00 C ATOM 206 O GLN A 13 -7.122 2.915 3.166 1.00 0.00 O ATOM 207 CB GLN A 13 -7.850 -0.048 1.939 1.00 0.00 C ATOM 208 CG GLN A 13 -8.750 -0.402 3.124 1.00 0.00 C ATOM 209 CD GLN A 13 -7.930 -0.968 4.285 1.00 0.00 C ATOM 210 OE1 GLN A 13 -6.819 -1.444 4.120 1.00 0.00 O ATOM 211 NE2 GLN A 13 -8.538 -0.890 5.466 1.00 0.00 N ATOM 0 H GLN A 13 -7.557 0.824 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.992 1.752 1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.081 -0.698 1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.808 -0.227 2.203 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.289 0.486 3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.498 -1.131 2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.469 -0.479 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.073 -1.241 6.303 1.00 0.00 H new ATOM 220 N GLN A 14 -5.802 2.319 1.429 1.00 0.00 N ATOM 221 CA GLN A 14 -4.669 3.112 1.873 1.00 0.00 C ATOM 222 C GLN A 14 -5.115 4.538 2.202 1.00 0.00 C ATOM 223 O GLN A 14 -4.538 5.188 3.073 1.00 0.00 O ATOM 224 CB GLN A 14 -3.556 3.114 0.824 1.00 0.00 C ATOM 225 CG GLN A 14 -3.148 1.687 0.454 1.00 0.00 C ATOM 226 CD GLN A 14 -1.860 1.681 -0.373 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.405 2.700 -0.868 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.301 0.481 -0.495 1.00 0.00 N ATOM 0 H GLN A 14 -5.648 1.802 0.563 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.267 2.660 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.893 3.642 -0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.691 3.655 1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.005 1.099 1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.949 1.211 -0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.734 -0.331 -0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.439 0.372 -1.029 1.00 0.00 H new ATOM 237 N LEU A 15 -6.139 4.983 1.489 1.00 0.00 N ATOM 238 CA LEU A 15 -6.669 6.320 1.694 1.00 0.00 C ATOM 239 C LEU A 15 -8.195 6.250 1.789 1.00 0.00 C ATOM 240 O LEU A 15 -8.748 6.138 2.882 1.00 0.00 O ATOM 241 CB LEU A 15 -6.164 7.270 0.606 1.00 0.00 C ATOM 242 CG LEU A 15 -5.693 6.612 -0.692 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.021 7.490 -1.902 1.00 0.00 C ATOM 244 CD2 LEU A 15 -4.204 6.265 -0.623 1.00 0.00 C ATOM 0 H LEU A 15 -6.616 4.441 0.768 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.309 6.732 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.962 7.972 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.339 7.853 1.015 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.236 5.675 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.676 6.999 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.099 7.643 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.523 8.454 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.895 5.798 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.625 7.175 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.029 5.574 0.202 1.00 0.00 H new ATOM 256 N GLY A 16 -8.832 6.318 0.629 1.00 0.00 N ATOM 257 CA GLY A 16 -10.282 6.264 0.567 1.00 0.00 C ATOM 258 C GLY A 16 -10.805 6.972 -0.685 1.00 0.00 C ATOM 259 O GLY A 16 -11.300 8.095 -0.606 1.00 0.00 O ATOM 0 H GLY A 16 -8.370 6.410 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.611 5.225 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.705 6.731 1.456 1.00 0.00 H new ATOM 263 N VAL A 17 -10.676 6.286 -1.811 1.00 0.00 N ATOM 264 CA VAL A 17 -11.129 6.835 -3.078 1.00 0.00 C ATOM 265 C VAL A 17 -11.461 5.689 -4.036 1.00 0.00 C ATOM 266 O VAL A 17 -11.355 4.520 -3.671 1.00 0.00 O ATOM 267 CB VAL A 17 -10.078 7.796 -3.637 1.00 0.00 C ATOM 268 CG1 VAL A 17 -10.512 9.251 -3.453 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.711 7.546 -2.997 1.00 0.00 C ATOM 0 H VAL A 17 -10.264 5.355 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.040 7.416 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.987 7.607 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.747 9.913 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.453 9.419 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.646 9.459 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.982 8.242 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.781 7.694 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.394 6.524 -3.203 1.00 0.00 H new ATOM 279 N LYS A 18 -11.857 6.066 -5.243 1.00 0.00 N ATOM 280 CA LYS A 18 -12.206 5.084 -6.256 1.00 0.00 C ATOM 281 C LYS A 18 -10.952 4.704 -7.044 1.00 0.00 C ATOM 282 O LYS A 18 -9.856 4.653 -6.488 1.00 0.00 O ATOM 283 CB LYS A 18 -13.350 5.601 -7.131 1.00 0.00 C ATOM 284 CG LYS A 18 -14.296 4.465 -7.525 1.00 0.00 C ATOM 285 CD LYS A 18 -15.650 5.011 -7.979 1.00 0.00 C ATOM 286 CE LYS A 18 -16.799 4.219 -7.353 1.00 0.00 C ATOM 287 NZ LYS A 18 -17.918 5.121 -6.999 1.00 0.00 N ATOM 0 H LYS A 18 -11.944 7.037 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.579 4.172 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.904 6.371 -6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.944 6.068 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.850 3.877 -8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.436 3.794 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.734 6.062 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.720 4.962 -9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.145 3.457 -8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.447 3.699 -6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.690 4.567 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.588 5.833 -6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.264 5.598 -7.856 1.00 0.00 H new ATOM 300 N GLN A 19 -11.154 4.446 -8.328 1.00 0.00 N ATOM 301 CA GLN A 19 -10.053 4.072 -9.199 1.00 0.00 C ATOM 302 C GLN A 19 -9.718 5.220 -10.154 1.00 0.00 C ATOM 303 O GLN A 19 -8.562 5.396 -10.537 1.00 0.00 O ATOM 304 CB GLN A 19 -10.376 2.792 -9.972 1.00 0.00 C ATOM 305 CG GLN A 19 -11.462 3.044 -11.020 1.00 0.00 C ATOM 306 CD GLN A 19 -10.869 3.063 -12.431 1.00 0.00 C ATOM 307 OE1 GLN A 19 -9.944 3.799 -12.733 1.00 0.00 O ATOM 308 NE2 GLN A 19 -11.452 2.216 -13.274 1.00 0.00 N ATOM 0 H GLN A 19 -12.064 4.489 -8.786 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.178 3.873 -8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.475 2.420 -10.459 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.707 2.018 -9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.224 2.268 -10.953 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.955 3.994 -10.816 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.222 1.628 -12.955 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.129 2.154 -14.240 1.00 0.00 H new ATOM 317 N GLU A 20 -10.749 5.970 -10.511 1.00 0.00 N ATOM 318 CA GLU A 20 -10.578 7.096 -11.414 1.00 0.00 C ATOM 319 C GLU A 20 -10.087 8.324 -10.644 1.00 0.00 C ATOM 320 O GLU A 20 -9.781 9.354 -11.243 1.00 0.00 O ATOM 321 CB GLU A 20 -11.878 7.401 -12.162 1.00 0.00 C ATOM 322 CG GLU A 20 -12.975 7.848 -11.194 1.00 0.00 C ATOM 323 CD GLU A 20 -14.261 8.198 -11.947 1.00 0.00 C ATOM 324 OE1 GLU A 20 -14.202 8.620 -13.111 1.00 0.00 O ATOM 325 OE2 GLU A 20 -15.350 8.018 -11.279 1.00 0.00 O ATOM 0 H GLU A 20 -11.706 5.821 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.824 6.831 -12.156 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.701 8.181 -12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.206 6.515 -12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.175 7.054 -10.474 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.634 8.714 -10.627 1.00 0.00 H new ATOM 333 N GLU A 21 -10.029 8.174 -9.329 1.00 0.00 N ATOM 334 CA GLU A 21 -9.580 9.258 -8.472 1.00 0.00 C ATOM 335 C GLU A 21 -8.123 9.040 -8.059 1.00 0.00 C ATOM 336 O GLU A 21 -7.471 9.957 -7.562 1.00 0.00 O ATOM 337 CB GLU A 21 -10.483 9.395 -7.244 1.00 0.00 C ATOM 338 CG GLU A 21 -11.449 10.571 -7.403 1.00 0.00 C ATOM 339 CD GLU A 21 -11.422 11.474 -6.168 1.00 0.00 C ATOM 340 OE1 GLU A 21 -12.384 11.484 -5.386 1.00 0.00 O ATOM 341 OE2 GLU A 21 -10.352 12.183 -6.035 1.00 0.00 O ATOM 0 H GLU A 21 -10.285 7.319 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.642 10.190 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.047 8.474 -7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.872 9.539 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.181 11.150 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.460 10.197 -7.562 1.00 0.00 H new ATOM 349 N VAL A 22 -7.655 7.821 -8.280 1.00 0.00 N ATOM 350 CA VAL A 22 -6.287 7.471 -7.938 1.00 0.00 C ATOM 351 C VAL A 22 -5.666 6.672 -9.086 1.00 0.00 C ATOM 352 O VAL A 22 -4.942 5.706 -8.854 1.00 0.00 O ATOM 353 CB VAL A 22 -6.257 6.722 -6.604 1.00 0.00 C ATOM 354 CG1 VAL A 22 -4.835 6.658 -6.043 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.216 7.358 -5.596 1.00 0.00 C ATOM 0 H VAL A 22 -8.199 7.063 -8.692 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.685 8.370 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.592 5.701 -6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.842 6.121 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.188 6.139 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.461 7.669 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.175 6.806 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.926 8.394 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.232 7.327 -5.991 1.00 0.00 H new ATOM 365 N THR A 23 -5.973 7.106 -10.299 1.00 0.00 N ATOM 366 CA THR A 23 -5.454 6.444 -11.484 1.00 0.00 C ATOM 367 C THR A 23 -4.005 6.008 -11.260 1.00 0.00 C ATOM 368 O THR A 23 -3.320 6.542 -10.389 1.00 0.00 O ATOM 369 CB THR A 23 -5.626 7.394 -12.671 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.352 8.682 -12.126 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.080 7.490 -13.139 1.00 0.00 C ATOM 0 H THR A 23 -6.575 7.908 -10.487 1.00 0.00 H new ATOM 0 HA THR A 23 -6.006 5.529 -11.699 1.00 0.00 H new ATOM 0 HB THR A 23 -5.000 7.059 -13.498 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.439 9.360 -12.829 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.146 8.177 -13.983 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.429 6.504 -13.445 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.701 7.858 -12.323 1.00 0.00 H new ATOM 379 N ASN A 24 -3.581 5.042 -12.061 1.00 0.00 N ATOM 380 CA ASN A 24 -2.225 4.528 -11.961 1.00 0.00 C ATOM 381 C ASN A 24 -1.237 5.630 -12.347 1.00 0.00 C ATOM 382 O ASN A 24 -0.694 5.623 -13.450 1.00 0.00 O ATOM 383 CB ASN A 24 -2.012 3.348 -12.912 1.00 0.00 C ATOM 384 CG ASN A 24 -3.160 2.342 -12.804 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.188 1.483 -11.939 1.00 0.00 O ATOM 386 ND2 ASN A 24 -4.104 2.497 -13.729 1.00 0.00 N ATOM 0 H ASN A 24 -4.152 4.601 -12.782 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.064 4.198 -10.935 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.937 3.711 -13.937 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.068 2.855 -12.679 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.913 1.875 -13.742 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.019 3.237 -14.425 1.00 0.00 H new ATOM 393 N ASN A 25 -1.034 6.550 -11.416 1.00 0.00 N ATOM 394 CA ASN A 25 -0.120 7.657 -11.644 1.00 0.00 C ATOM 395 C ASN A 25 -0.190 8.623 -10.460 1.00 0.00 C ATOM 396 O ASN A 25 0.814 9.230 -10.089 1.00 0.00 O ATOM 397 CB ASN A 25 -0.498 8.431 -12.909 1.00 0.00 C ATOM 398 CG ASN A 25 0.397 9.659 -13.087 1.00 0.00 C ATOM 399 OD1 ASN A 25 -0.024 10.794 -12.930 1.00 0.00 O ATOM 400 ND2 ASN A 25 1.651 9.371 -13.424 1.00 0.00 N ATOM 0 H ASN A 25 -1.487 6.552 -10.502 1.00 0.00 H new ATOM 0 HA ASN A 25 0.884 7.248 -11.758 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.407 7.781 -13.779 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.541 8.742 -12.852 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.326 10.122 -13.567 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.938 8.399 -13.539 1.00 0.00 H new ATOM 407 N ALA A 26 -1.385 8.736 -9.899 1.00 0.00 N ATOM 408 CA ALA A 26 -1.599 9.618 -8.764 1.00 0.00 C ATOM 409 C ALA A 26 -0.384 9.552 -7.836 1.00 0.00 C ATOM 410 O ALA A 26 -0.054 8.488 -7.315 1.00 0.00 O ATOM 411 CB ALA A 26 -2.897 9.231 -8.054 1.00 0.00 C ATOM 0 H ALA A 26 -2.215 8.231 -10.209 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.705 10.651 -9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.057 9.893 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.733 9.323 -8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.827 8.201 -7.705 1.00 0.00 H new ATOM 417 N SER A 27 0.248 10.703 -7.658 1.00 0.00 N ATOM 418 CA SER A 27 1.419 10.789 -6.802 1.00 0.00 C ATOM 419 C SER A 27 1.029 11.366 -5.439 1.00 0.00 C ATOM 420 O SER A 27 0.697 12.545 -5.333 1.00 0.00 O ATOM 421 CB SER A 27 2.511 11.643 -7.447 1.00 0.00 C ATOM 422 OG SER A 27 3.524 10.845 -8.055 1.00 0.00 O ATOM 0 H SER A 27 -0.029 11.584 -8.092 1.00 0.00 H new ATOM 0 HA SER A 27 1.817 9.784 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.065 12.296 -8.197 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.961 12.287 -6.691 1.00 0.00 H new ATOM 0 HG SER A 27 4.202 11.427 -8.457 1.00 0.00 H new ATOM 428 N PHE A 28 1.084 10.507 -4.431 1.00 0.00 N ATOM 429 CA PHE A 28 0.741 10.917 -3.080 1.00 0.00 C ATOM 430 C PHE A 28 1.177 12.360 -2.818 1.00 0.00 C ATOM 431 O PHE A 28 0.398 13.164 -2.308 1.00 0.00 O ATOM 432 CB PHE A 28 1.494 9.988 -2.126 1.00 0.00 C ATOM 433 CG PHE A 28 1.070 8.521 -2.222 1.00 0.00 C ATOM 434 CD1 PHE A 28 1.638 7.708 -3.153 1.00 0.00 C ATOM 435 CD2 PHE A 28 0.124 8.030 -1.377 1.00 0.00 C ATOM 436 CE1 PHE A 28 1.244 6.346 -3.241 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.270 6.669 -1.466 1.00 0.00 C ATOM 438 CZ PHE A 28 0.298 5.856 -2.396 1.00 0.00 C ATOM 0 H PHE A 28 1.361 9.530 -4.523 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.338 10.860 -2.936 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.562 10.061 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.342 10.333 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.388 8.098 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.327 8.676 -0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.696 5.700 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.021 6.279 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.002 4.821 -2.464 1.00 0.00 H new ATOM 448 N VAL A 29 2.420 12.644 -3.177 1.00 0.00 N ATOM 449 CA VAL A 29 2.969 13.975 -2.987 1.00 0.00 C ATOM 450 C VAL A 29 1.878 15.015 -3.253 1.00 0.00 C ATOM 451 O VAL A 29 1.840 16.060 -2.606 1.00 0.00 O ATOM 452 CB VAL A 29 4.203 14.164 -3.871 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.649 15.628 -3.884 1.00 0.00 C ATOM 454 CG2 VAL A 29 5.343 13.247 -3.425 1.00 0.00 C ATOM 0 H VAL A 29 3.063 11.974 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 29 3.301 14.107 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 29 3.931 13.888 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.528 15.735 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.843 16.251 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.894 15.943 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.208 13.402 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.613 13.477 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.021 12.208 -3.492 1.00 0.00 H new ATOM 464 N GLU A 30 1.017 14.691 -4.207 1.00 0.00 N ATOM 465 CA GLU A 30 -0.072 15.584 -4.567 1.00 0.00 C ATOM 466 C GLU A 30 -1.411 14.850 -4.476 1.00 0.00 C ATOM 467 O GLU A 30 -2.362 15.358 -3.883 1.00 0.00 O ATOM 468 CB GLU A 30 0.139 16.170 -5.965 1.00 0.00 C ATOM 469 CG GLU A 30 0.869 17.512 -5.892 1.00 0.00 C ATOM 470 CD GLU A 30 0.232 18.534 -6.836 1.00 0.00 C ATOM 471 OE1 GLU A 30 -0.998 18.554 -6.989 1.00 0.00 O ATOM 472 OE2 GLU A 30 1.064 19.329 -7.420 1.00 0.00 O ATOM 0 H GLU A 30 1.051 13.823 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.086 16.413 -3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.714 15.472 -6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.825 16.302 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.842 17.890 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.918 17.374 -6.154 1.00 0.00 H new ATOM 480 N ASP A 31 -1.444 13.668 -5.073 1.00 0.00 N ATOM 481 CA ASP A 31 -2.651 12.860 -5.066 1.00 0.00 C ATOM 482 C ASP A 31 -3.314 12.952 -3.691 1.00 0.00 C ATOM 483 O ASP A 31 -4.539 13.014 -3.591 1.00 0.00 O ATOM 484 CB ASP A 31 -2.331 11.389 -5.339 1.00 0.00 C ATOM 485 CG ASP A 31 -3.419 10.400 -4.915 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.618 10.648 -5.109 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.987 9.321 -4.355 1.00 0.00 O ATOM 0 H ASP A 31 -0.654 13.250 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.312 13.236 -5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.145 11.265 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.406 11.132 -4.822 1.00 0.00 H new ATOM 493 N LEU A 32 -2.476 12.957 -2.664 1.00 0.00 N ATOM 494 CA LEU A 32 -2.966 13.040 -1.299 1.00 0.00 C ATOM 495 C LEU A 32 -1.940 13.781 -0.438 1.00 0.00 C ATOM 496 O LEU A 32 -1.728 13.429 0.721 1.00 0.00 O ATOM 497 CB LEU A 32 -3.321 11.649 -0.771 1.00 0.00 C ATOM 498 CG LEU A 32 -4.797 11.255 -0.858 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.043 9.899 -0.194 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.692 12.350 -0.273 1.00 0.00 C ATOM 0 H LEU A 32 -1.461 12.905 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.891 13.615 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.736 10.913 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.010 11.588 0.272 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.061 11.151 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.100 9.643 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.448 9.135 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.757 9.951 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.736 12.045 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.434 12.510 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.544 13.276 -0.829 1.00 0.00 H new ATOM 512 N GLY A 33 -1.332 14.793 -1.039 1.00 0.00 N ATOM 513 CA GLY A 33 -0.334 15.586 -0.342 1.00 0.00 C ATOM 514 C GLY A 33 0.528 14.708 0.567 1.00 0.00 C ATOM 515 O GLY A 33 1.010 15.165 1.602 1.00 0.00 O ATOM 0 H GLY A 33 -1.511 15.082 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.300 16.098 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.826 16.357 0.251 1.00 0.00 H new ATOM 519 N ALA A 34 0.695 13.462 0.147 1.00 0.00 N ATOM 520 CA ALA A 34 1.490 12.515 0.911 1.00 0.00 C ATOM 521 C ALA A 34 1.005 12.503 2.362 1.00 0.00 C ATOM 522 O ALA A 34 1.365 13.378 3.148 1.00 0.00 O ATOM 523 CB ALA A 34 2.971 12.881 0.795 1.00 0.00 C ATOM 0 H ALA A 34 0.293 13.087 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 34 1.371 11.507 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.567 12.171 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.273 12.847 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.129 13.886 1.186 1.00 0.00 H new ATOM 529 N ASP A 35 0.196 11.501 2.674 1.00 0.00 N ATOM 530 CA ASP A 35 -0.342 11.363 4.016 1.00 0.00 C ATOM 531 C ASP A 35 0.371 10.213 4.731 1.00 0.00 C ATOM 532 O ASP A 35 0.911 9.316 4.085 1.00 0.00 O ATOM 533 CB ASP A 35 -1.837 11.042 3.980 1.00 0.00 C ATOM 534 CG ASP A 35 -2.707 12.090 3.282 1.00 0.00 C ATOM 535 OD1 ASP A 35 -2.431 13.297 3.350 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.719 11.616 2.637 1.00 0.00 O ATOM 0 H ASP A 35 -0.100 10.777 2.020 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.188 12.307 4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.976 10.084 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.192 10.920 5.003 1.00 0.00 H new ATOM 542 N SER A 36 0.350 10.277 6.054 1.00 0.00 N ATOM 543 CA SER A 36 0.987 9.252 6.863 1.00 0.00 C ATOM 544 C SER A 36 0.290 7.908 6.650 1.00 0.00 C ATOM 545 O SER A 36 0.930 6.924 6.280 1.00 0.00 O ATOM 546 CB SER A 36 0.969 9.630 8.346 1.00 0.00 C ATOM 547 OG SER A 36 2.165 10.295 8.742 1.00 0.00 O ATOM 0 H SER A 36 -0.098 11.023 6.586 1.00 0.00 H new ATOM 0 HA SER A 36 2.028 9.168 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.113 10.274 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.838 8.731 8.948 1.00 0.00 H new ATOM 0 HG SER A 36 2.114 10.521 9.694 1.00 0.00 H new ATOM 553 N LEU A 37 -1.013 7.908 6.891 1.00 0.00 N ATOM 554 CA LEU A 37 -1.804 6.700 6.730 1.00 0.00 C ATOM 555 C LEU A 37 -1.589 6.139 5.323 1.00 0.00 C ATOM 556 O LEU A 37 -1.759 4.942 5.095 1.00 0.00 O ATOM 557 CB LEU A 37 -3.271 6.971 7.066 1.00 0.00 C ATOM 558 CG LEU A 37 -3.539 7.612 8.430 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.000 8.052 8.551 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.126 6.676 9.567 1.00 0.00 C ATOM 0 H LEU A 37 -1.541 8.726 7.197 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.477 5.934 7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.686 7.619 6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.815 6.028 7.017 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.925 8.508 8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.164 8.504 9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.226 8.780 7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.652 7.185 8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.327 7.156 10.525 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.695 5.749 9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.061 6.455 9.488 1.00 0.00 H new ATOM 572 N ASP A 38 -1.219 7.030 4.415 1.00 0.00 N ATOM 573 CA ASP A 38 -0.979 6.639 3.036 1.00 0.00 C ATOM 574 C ASP A 38 0.367 5.920 2.941 1.00 0.00 C ATOM 575 O ASP A 38 0.435 4.778 2.488 1.00 0.00 O ATOM 576 CB ASP A 38 -0.928 7.862 2.118 1.00 0.00 C ATOM 577 CG ASP A 38 -2.208 8.129 1.324 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.235 8.980 0.422 1.00 0.00 O ATOM 579 OD2 ASP A 38 -3.223 7.411 1.668 1.00 0.00 O ATOM 0 H ASP A 38 -1.079 8.022 4.607 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.795 5.987 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.703 8.741 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.103 7.737 1.417 1.00 0.00 H new ATOM 585 N THR A 39 1.407 6.617 3.376 1.00 0.00 N ATOM 586 CA THR A 39 2.748 6.059 3.345 1.00 0.00 C ATOM 587 C THR A 39 2.869 4.906 4.344 1.00 0.00 C ATOM 588 O THR A 39 3.789 4.096 4.254 1.00 0.00 O ATOM 589 CB THR A 39 3.739 7.195 3.606 1.00 0.00 C ATOM 590 OG1 THR A 39 3.659 8.002 2.434 1.00 0.00 O ATOM 591 CG2 THR A 39 5.191 6.713 3.628 1.00 0.00 C ATOM 0 H THR A 39 1.348 7.563 3.752 1.00 0.00 H new ATOM 0 HA THR A 39 2.975 5.628 2.370 1.00 0.00 H new ATOM 0 HB THR A 39 3.501 7.672 4.557 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.269 8.764 2.519 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.852 7.559 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.316 5.971 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.440 6.265 2.666 1.00 0.00 H new ATOM 599 N VAL A 40 1.925 4.870 5.274 1.00 0.00 N ATOM 600 CA VAL A 40 1.914 3.830 6.289 1.00 0.00 C ATOM 601 C VAL A 40 1.112 2.632 5.777 1.00 0.00 C ATOM 602 O VAL A 40 1.495 1.484 5.997 1.00 0.00 O ATOM 603 CB VAL A 40 1.376 4.391 7.607 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.276 3.294 8.669 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.237 5.556 8.100 1.00 0.00 C ATOM 0 H VAL A 40 1.163 5.544 5.346 1.00 0.00 H new ATOM 0 HA VAL A 40 2.927 3.481 6.489 1.00 0.00 H new ATOM 0 HB VAL A 40 0.371 4.772 7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.891 3.719 9.596 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.602 2.511 8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.264 2.869 8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.832 5.936 9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.259 5.212 8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.234 6.352 7.355 1.00 0.00 H new ATOM 615 N GLU A 41 0.014 2.940 5.103 1.00 0.00 N ATOM 616 CA GLU A 41 -0.845 1.903 4.557 1.00 0.00 C ATOM 617 C GLU A 41 -0.090 1.085 3.508 1.00 0.00 C ATOM 618 O GLU A 41 -0.471 -0.043 3.203 1.00 0.00 O ATOM 619 CB GLU A 41 -2.124 2.504 3.969 1.00 0.00 C ATOM 620 CG GLU A 41 -3.183 2.708 5.053 1.00 0.00 C ATOM 621 CD GLU A 41 -4.281 1.647 4.954 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.073 0.596 4.331 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.383 1.945 5.555 1.00 0.00 O ATOM 0 H GLU A 41 -0.301 3.893 4.922 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.136 1.235 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.896 3.458 3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.515 1.847 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.715 2.662 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.622 3.701 4.955 1.00 0.00 H new ATOM 631 N LEU A 42 0.968 1.687 2.984 1.00 0.00 N ATOM 632 CA LEU A 42 1.781 1.029 1.976 1.00 0.00 C ATOM 633 C LEU A 42 2.677 -0.012 2.649 1.00 0.00 C ATOM 634 O LEU A 42 3.032 -1.019 2.038 1.00 0.00 O ATOM 635 CB LEU A 42 2.550 2.061 1.149 1.00 0.00 C ATOM 636 CG LEU A 42 2.504 1.875 -0.369 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.784 3.044 -1.043 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.909 1.661 -0.937 1.00 0.00 C ATOM 0 H LEU A 42 1.281 2.624 3.239 1.00 0.00 H new ATOM 0 HA LEU A 42 1.149 0.495 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.159 3.051 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.593 2.046 1.465 1.00 0.00 H new ATOM 0 HG LEU A 42 1.928 0.975 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.765 2.887 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.763 3.107 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.310 3.972 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.849 1.531 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.529 2.528 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.351 0.771 -0.489 1.00 0.00 H new ATOM 650 N VAL A 43 3.018 0.267 3.899 1.00 0.00 N ATOM 651 CA VAL A 43 3.867 -0.633 4.661 1.00 0.00 C ATOM 652 C VAL A 43 3.031 -1.810 5.166 1.00 0.00 C ATOM 653 O VAL A 43 3.558 -2.899 5.392 1.00 0.00 O ATOM 654 CB VAL A 43 4.562 0.134 5.789 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.578 -0.754 6.510 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.225 1.407 5.259 1.00 0.00 C ATOM 0 H VAL A 43 2.722 1.103 4.403 1.00 0.00 H new ATOM 0 HA VAL A 43 4.655 -1.042 4.029 1.00 0.00 H new ATOM 0 HB VAL A 43 3.802 0.429 6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.058 -0.185 7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.068 -1.618 6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.333 -1.093 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.711 1.933 6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.968 1.144 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.469 2.052 4.812 1.00 0.00 H new ATOM 666 N MET A 44 1.741 -1.553 5.328 1.00 0.00 N ATOM 667 CA MET A 44 0.827 -2.578 5.801 1.00 0.00 C ATOM 668 C MET A 44 0.183 -3.322 4.630 1.00 0.00 C ATOM 669 O MET A 44 0.047 -4.544 4.665 1.00 0.00 O ATOM 670 CB MET A 44 -0.264 -1.934 6.659 1.00 0.00 C ATOM 671 CG MET A 44 0.313 -1.409 7.976 1.00 0.00 C ATOM 672 SD MET A 44 -1.011 -0.993 9.098 1.00 0.00 S ATOM 673 CE MET A 44 -0.066 -0.330 10.460 1.00 0.00 C ATOM 0 H MET A 44 1.307 -0.649 5.140 1.00 0.00 H new ATOM 0 HA MET A 44 1.393 -3.295 6.395 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.728 -1.115 6.109 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.047 -2.663 6.866 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.959 -2.163 8.426 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.931 -0.531 7.788 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.743 -0.019 11.255 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.612 -1.095 10.839 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.511 0.529 10.118 1.00 0.00 H new ATOM 683 N ALA A 45 -0.198 -2.554 3.620 1.00 0.00 N ATOM 684 CA ALA A 45 -0.825 -3.125 2.440 1.00 0.00 C ATOM 685 C ALA A 45 0.103 -4.180 1.835 1.00 0.00 C ATOM 686 O ALA A 45 -0.307 -5.317 1.609 1.00 0.00 O ATOM 687 CB ALA A 45 -1.162 -2.008 1.450 1.00 0.00 C ATOM 0 H ALA A 45 -0.085 -1.541 3.594 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.760 -3.620 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.632 -2.436 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.846 -1.301 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.248 -1.490 1.161 1.00 0.00 H new ATOM 693 N LEU A 46 1.338 -3.765 1.589 1.00 0.00 N ATOM 694 CA LEU A 46 2.327 -4.660 1.014 1.00 0.00 C ATOM 695 C LEU A 46 2.619 -5.792 2.001 1.00 0.00 C ATOM 696 O LEU A 46 2.926 -6.912 1.594 1.00 0.00 O ATOM 697 CB LEU A 46 3.572 -3.880 0.588 1.00 0.00 C ATOM 698 CG LEU A 46 3.409 -2.970 -0.631 1.00 0.00 C ATOM 699 CD1 LEU A 46 3.917 -1.558 -0.334 1.00 0.00 C ATOM 700 CD2 LEU A 46 4.087 -3.576 -1.862 1.00 0.00 C ATOM 0 H LEU A 46 1.675 -2.821 1.778 1.00 0.00 H new ATOM 0 HA LEU A 46 1.941 -5.121 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.900 -3.271 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.370 -4.593 0.380 1.00 0.00 H new ATOM 0 HG LEU A 46 2.346 -2.888 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.789 -0.932 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.351 -1.135 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.973 -1.600 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.956 -2.909 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.151 -3.707 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.637 -4.543 -2.086 1.00 0.00 H new ATOM 712 N GLU A 47 2.513 -5.462 3.280 1.00 0.00 N ATOM 713 CA GLU A 47 2.762 -6.437 4.328 1.00 0.00 C ATOM 714 C GLU A 47 1.653 -7.491 4.347 1.00 0.00 C ATOM 715 O GLU A 47 1.926 -8.682 4.486 1.00 0.00 O ATOM 716 CB GLU A 47 2.893 -5.754 5.692 1.00 0.00 C ATOM 717 CG GLU A 47 4.359 -5.655 6.116 1.00 0.00 C ATOM 718 CD GLU A 47 4.584 -6.325 7.473 1.00 0.00 C ATOM 719 OE1 GLU A 47 3.926 -5.963 8.460 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.478 -7.255 7.481 1.00 0.00 O ATOM 0 H GLU A 47 2.258 -4.533 3.614 1.00 0.00 H new ATOM 0 HA GLU A 47 3.707 -6.936 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.455 -4.757 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.332 -6.315 6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.991 -6.127 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.656 -4.608 6.170 1.00 0.00 H new ATOM 728 N GLU A 48 0.425 -7.014 4.204 1.00 0.00 N ATOM 729 CA GLU A 48 -0.726 -7.900 4.202 1.00 0.00 C ATOM 730 C GLU A 48 -0.867 -8.585 2.841 1.00 0.00 C ATOM 731 O GLU A 48 -1.624 -9.544 2.700 1.00 0.00 O ATOM 732 CB GLU A 48 -2.003 -7.142 4.569 1.00 0.00 C ATOM 733 CG GLU A 48 -2.901 -7.985 5.477 1.00 0.00 C ATOM 734 CD GLU A 48 -4.189 -8.386 4.754 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.175 -8.593 3.532 1.00 0.00 O ATOM 736 OE2 GLU A 48 -5.230 -8.482 5.509 1.00 0.00 O ATOM 0 H GLU A 48 0.202 -6.025 4.089 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.569 -8.668 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.745 -6.210 5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.545 -6.876 3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.365 -8.879 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.145 -7.422 6.378 1.00 0.00 H new ATOM 744 N GLU A 49 -0.126 -8.065 1.874 1.00 0.00 N ATOM 745 CA GLU A 49 -0.159 -8.614 0.529 1.00 0.00 C ATOM 746 C GLU A 49 0.741 -9.848 0.437 1.00 0.00 C ATOM 747 O GLU A 49 0.252 -10.974 0.369 1.00 0.00 O ATOM 748 CB GLU A 49 0.247 -7.561 -0.504 1.00 0.00 C ATOM 749 CG GLU A 49 -0.633 -7.649 -1.752 1.00 0.00 C ATOM 750 CD GLU A 49 -2.112 -7.494 -1.393 1.00 0.00 C ATOM 751 OE1 GLU A 49 -2.515 -6.449 -0.861 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.854 -8.508 -1.686 1.00 0.00 O ATOM 0 H GLU A 49 0.501 -7.269 1.995 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.182 -8.917 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.165 -6.566 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.292 -7.702 -0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.344 -6.873 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.474 -8.607 -2.247 1.00 0.00 H new ATOM 760 N PHE A 50 2.041 -9.593 0.438 1.00 0.00 N ATOM 761 CA PHE A 50 3.015 -10.669 0.356 1.00 0.00 C ATOM 762 C PHE A 50 4.006 -10.602 1.519 1.00 0.00 C ATOM 763 O PHE A 50 5.007 -11.316 1.528 1.00 0.00 O ATOM 764 CB PHE A 50 3.776 -10.484 -0.958 1.00 0.00 C ATOM 765 CG PHE A 50 3.335 -11.435 -2.072 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.872 -12.682 -2.154 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.407 -11.034 -2.982 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.463 -13.565 -3.188 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.998 -11.917 -4.016 1.00 0.00 C ATOM 770 CZ PHE A 50 2.534 -13.164 -4.097 1.00 0.00 C ATOM 0 H PHE A 50 2.443 -8.657 0.494 1.00 0.00 H new ATOM 0 HA PHE A 50 2.508 -11.633 0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.647 -9.457 -1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.841 -10.627 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.610 -13.001 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.981 -10.044 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.890 -14.555 -3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.261 -11.598 -4.738 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.222 -13.836 -4.883 1.00 0.00 H new ATOM 780 N ASP A 51 3.692 -9.738 2.473 1.00 0.00 N ATOM 781 CA ASP A 51 4.542 -9.568 3.639 1.00 0.00 C ATOM 782 C ASP A 51 5.929 -9.103 3.190 1.00 0.00 C ATOM 783 O ASP A 51 6.926 -9.778 3.442 1.00 0.00 O ATOM 784 CB ASP A 51 4.708 -10.887 4.396 1.00 0.00 C ATOM 785 CG ASP A 51 5.711 -10.848 5.552 1.00 0.00 C ATOM 786 OD1 ASP A 51 5.606 -10.010 6.460 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.643 -11.738 5.495 1.00 0.00 O ATOM 0 H ASP A 51 2.860 -9.148 2.462 1.00 0.00 H new ATOM 0 HA ASP A 51 4.074 -8.833 4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.737 -11.188 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.020 -11.657 3.690 1.00 0.00 H new ATOM 793 N THR A 52 5.948 -7.953 2.533 1.00 0.00 N ATOM 794 CA THR A 52 7.196 -7.389 2.047 1.00 0.00 C ATOM 795 C THR A 52 7.613 -6.195 2.907 1.00 0.00 C ATOM 796 O THR A 52 8.779 -5.802 2.906 1.00 0.00 O ATOM 797 CB THR A 52 7.012 -7.039 0.569 1.00 0.00 C ATOM 798 OG1 THR A 52 8.333 -7.079 0.035 1.00 0.00 O ATOM 799 CG2 THR A 52 6.571 -5.589 0.361 1.00 0.00 C ATOM 0 H THR A 52 5.119 -7.396 2.326 1.00 0.00 H new ATOM 0 HA THR A 52 8.012 -8.107 2.127 1.00 0.00 H new ATOM 0 HB THR A 52 6.275 -7.710 0.127 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.306 -6.865 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.455 -5.393 -0.705 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.620 -5.422 0.866 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.324 -4.917 0.774 1.00 0.00 H new ATOM 807 N GLU A 53 6.638 -5.651 3.620 1.00 0.00 N ATOM 808 CA GLU A 53 6.889 -4.509 4.483 1.00 0.00 C ATOM 809 C GLU A 53 7.808 -3.507 3.783 1.00 0.00 C ATOM 810 O GLU A 53 9.031 -3.627 3.851 1.00 0.00 O ATOM 811 CB GLU A 53 7.481 -4.954 5.822 1.00 0.00 C ATOM 812 CG GLU A 53 8.642 -5.928 5.612 1.00 0.00 C ATOM 813 CD GLU A 53 9.280 -6.317 6.947 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.105 -5.562 7.483 1.00 0.00 O ATOM 815 OE2 GLU A 53 8.890 -7.449 7.428 1.00 0.00 O ATOM 0 H GLU A 53 5.672 -5.980 3.618 1.00 0.00 H new ATOM 0 HA GLU A 53 5.938 -4.017 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.828 -4.083 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.708 -5.429 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.283 -6.822 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.392 -5.472 4.966 1.00 0.00 H new ATOM 823 N ILE A 54 7.185 -2.540 3.126 1.00 0.00 N ATOM 824 CA ILE A 54 7.932 -1.517 2.413 1.00 0.00 C ATOM 825 C ILE A 54 8.424 -0.464 3.409 1.00 0.00 C ATOM 826 O ILE A 54 7.687 -0.062 4.308 1.00 0.00 O ATOM 827 CB ILE A 54 7.094 -0.939 1.272 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.987 -0.317 0.196 1.00 0.00 C ATOM 829 CG2 ILE A 54 6.058 0.055 1.801 1.00 0.00 C ATOM 830 CD1 ILE A 54 7.169 0.081 -1.034 1.00 0.00 C ATOM 0 H ILE A 54 6.171 -2.443 3.072 1.00 0.00 H new ATOM 0 HA ILE A 54 8.815 -1.949 1.942 1.00 0.00 H new ATOM 0 HB ILE A 54 6.546 -1.756 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.492 0.560 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.762 -1.027 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.476 0.451 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.393 -0.451 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.566 0.874 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.828 0.520 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.685 -0.802 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.410 0.809 -0.746 1.00 0.00 H new ATOM 842 N PRO A 55 9.700 -0.038 3.211 1.00 0.00 N ATOM 843 CA PRO A 55 10.299 0.960 4.081 1.00 0.00 C ATOM 844 C PRO A 55 9.749 2.355 3.776 1.00 0.00 C ATOM 845 O PRO A 55 8.742 2.491 3.082 1.00 0.00 O ATOM 846 CB PRO A 55 11.796 0.846 3.838 1.00 0.00 C ATOM 847 CG PRO A 55 11.949 0.119 2.512 1.00 0.00 C ATOM 848 CD PRO A 55 10.603 -0.492 2.157 1.00 0.00 C ATOM 0 HA PRO A 55 10.065 0.795 5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.261 1.831 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.282 0.295 4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.272 0.810 1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.712 -0.656 2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.264 -0.161 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.658 -1.580 2.124 1.00 0.00 H new ATOM 856 N ASP A 56 10.434 3.356 4.309 1.00 0.00 N ATOM 857 CA ASP A 56 10.026 4.735 4.103 1.00 0.00 C ATOM 858 C ASP A 56 10.841 5.337 2.957 1.00 0.00 C ATOM 859 O ASP A 56 10.480 6.381 2.416 1.00 0.00 O ATOM 860 CB ASP A 56 10.277 5.577 5.356 1.00 0.00 C ATOM 861 CG ASP A 56 9.074 6.386 5.844 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.247 5.892 6.624 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.003 7.588 5.382 1.00 0.00 O ATOM 0 H ASP A 56 11.269 3.239 4.883 1.00 0.00 H new ATOM 0 HA ASP A 56 8.961 4.741 3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.602 4.917 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.100 6.263 5.155 1.00 0.00 H new ATOM 869 N GLU A 57 11.926 4.654 2.622 1.00 0.00 N ATOM 870 CA GLU A 57 12.795 5.108 1.550 1.00 0.00 C ATOM 871 C GLU A 57 12.224 4.695 0.192 1.00 0.00 C ATOM 872 O GLU A 57 11.977 5.542 -0.665 1.00 0.00 O ATOM 873 CB GLU A 57 14.217 4.573 1.733 1.00 0.00 C ATOM 874 CG GLU A 57 15.135 5.646 2.322 1.00 0.00 C ATOM 875 CD GLU A 57 16.209 5.020 3.214 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.003 3.925 3.756 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.291 5.713 3.333 1.00 0.00 O ATOM 0 H GLU A 57 12.223 3.789 3.074 1.00 0.00 H new ATOM 0 HA GLU A 57 12.844 6.196 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.200 3.703 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.610 4.240 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.608 6.207 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.545 6.356 2.901 1.00 0.00 H new ATOM 885 N GLU A 58 12.032 3.393 0.039 1.00 0.00 N ATOM 886 CA GLU A 58 11.495 2.857 -1.201 1.00 0.00 C ATOM 887 C GLU A 58 10.153 3.516 -1.526 1.00 0.00 C ATOM 888 O GLU A 58 9.696 3.471 -2.667 1.00 0.00 O ATOM 889 CB GLU A 58 11.355 1.336 -1.125 1.00 0.00 C ATOM 890 CG GLU A 58 12.334 0.647 -2.078 1.00 0.00 C ATOM 891 CD GLU A 58 13.782 0.967 -1.702 1.00 0.00 C ATOM 892 OE1 GLU A 58 14.060 1.316 -0.544 1.00 0.00 O ATOM 893 OE2 GLU A 58 14.635 0.842 -2.661 1.00 0.00 O ATOM 0 H GLU A 58 12.238 2.694 0.752 1.00 0.00 H new ATOM 0 HA GLU A 58 12.194 3.085 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.539 1.001 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.334 1.048 -1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.177 -0.431 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.140 0.970 -3.101 1.00 0.00 H new ATOM 901 N ALA A 59 9.558 4.112 -0.503 1.00 0.00 N ATOM 902 CA ALA A 59 8.278 4.778 -0.666 1.00 0.00 C ATOM 903 C ALA A 59 8.413 5.884 -1.714 1.00 0.00 C ATOM 904 O ALA A 59 7.524 6.071 -2.543 1.00 0.00 O ATOM 905 CB ALA A 59 7.805 5.313 0.687 1.00 0.00 C ATOM 0 H ALA A 59 9.940 4.147 0.442 1.00 0.00 H new ATOM 0 HA ALA A 59 7.523 4.077 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.844 5.813 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.697 4.485 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.537 6.022 1.074 1.00 0.00 H new ATOM 911 N GLU A 60 9.533 6.589 -1.644 1.00 0.00 N ATOM 912 CA GLU A 60 9.796 7.671 -2.577 1.00 0.00 C ATOM 913 C GLU A 60 9.705 7.164 -4.018 1.00 0.00 C ATOM 914 O GLU A 60 8.957 7.711 -4.826 1.00 0.00 O ATOM 915 CB GLU A 60 11.160 8.309 -2.306 1.00 0.00 C ATOM 916 CG GLU A 60 11.002 9.742 -1.794 1.00 0.00 C ATOM 917 CD GLU A 60 10.063 9.793 -0.587 1.00 0.00 C ATOM 918 OE1 GLU A 60 10.226 9.008 0.359 1.00 0.00 O ATOM 919 OE2 GLU A 60 9.138 10.690 -0.653 1.00 0.00 O ATOM 0 H GLU A 60 10.269 6.432 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 60 9.037 8.440 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.704 7.715 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.754 8.309 -3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.977 10.143 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.611 10.375 -2.590 1.00 0.00 H new ATOM 927 N LYS A 61 10.477 6.124 -4.295 1.00 0.00 N ATOM 928 CA LYS A 61 10.493 5.537 -5.624 1.00 0.00 C ATOM 929 C LYS A 61 9.189 4.770 -5.854 1.00 0.00 C ATOM 930 O LYS A 61 8.953 4.253 -6.944 1.00 0.00 O ATOM 931 CB LYS A 61 11.749 4.685 -5.819 1.00 0.00 C ATOM 932 CG LYS A 61 11.465 3.212 -5.522 1.00 0.00 C ATOM 933 CD LYS A 61 12.703 2.351 -5.780 1.00 0.00 C ATOM 934 CE LYS A 61 12.338 1.084 -6.556 1.00 0.00 C ATOM 935 NZ LYS A 61 12.779 1.193 -7.964 1.00 0.00 N ATOM 0 H LYS A 61 11.096 5.673 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 61 10.544 6.317 -6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.109 4.790 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.542 5.045 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.150 3.101 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.640 2.865 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.440 2.926 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.166 2.080 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.805 0.217 -6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.260 0.925 -6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.523 0.325 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.314 2.008 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.810 1.323 -7.996 1.00 0.00 H new ATOM 948 N ILE A 62 8.377 4.721 -4.808 1.00 0.00 N ATOM 949 CA ILE A 62 7.103 4.026 -4.882 1.00 0.00 C ATOM 950 C ILE A 62 5.990 4.957 -4.396 1.00 0.00 C ATOM 951 O ILE A 62 4.995 4.501 -3.835 1.00 0.00 O ATOM 952 CB ILE A 62 7.171 2.700 -4.123 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.351 1.853 -4.603 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.845 1.943 -4.221 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.507 0.595 -3.747 1.00 0.00 C ATOM 0 H ILE A 62 8.577 5.151 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 62 6.872 3.764 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 62 7.340 2.919 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.201 1.572 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.267 2.442 -4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.921 1.004 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.047 2.550 -3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.621 1.735 -5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.353 0.011 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.681 0.880 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.598 -0.004 -3.811 1.00 0.00 H new ATOM 967 N THR A 63 6.196 6.245 -4.628 1.00 0.00 N ATOM 968 CA THR A 63 5.223 7.244 -4.220 1.00 0.00 C ATOM 969 C THR A 63 4.157 7.424 -5.303 1.00 0.00 C ATOM 970 O THR A 63 3.669 8.532 -5.521 1.00 0.00 O ATOM 971 CB THR A 63 5.978 8.533 -3.891 1.00 0.00 C ATOM 972 OG1 THR A 63 4.973 9.401 -3.373 1.00 0.00 O ATOM 973 CG2 THR A 63 6.483 9.252 -5.143 1.00 0.00 C ATOM 0 H THR A 63 7.023 6.620 -5.093 1.00 0.00 H new ATOM 0 HA THR A 63 4.684 6.929 -3.327 1.00 0.00 H new ATOM 0 HB THR A 63 6.822 8.303 -3.240 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.182 9.367 -3.951 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.011 10.160 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.161 8.597 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.637 9.512 -5.779 1.00 0.00 H new ATOM 981 N THR A 64 3.827 6.317 -5.954 1.00 0.00 N ATOM 982 CA THR A 64 2.829 6.339 -7.009 1.00 0.00 C ATOM 983 C THR A 64 1.962 5.080 -6.948 1.00 0.00 C ATOM 984 O THR A 64 2.287 4.131 -6.236 1.00 0.00 O ATOM 985 CB THR A 64 3.555 6.512 -8.344 1.00 0.00 C ATOM 986 OG1 THR A 64 4.571 5.513 -8.319 1.00 0.00 O ATOM 987 CG2 THR A 64 4.330 7.830 -8.422 1.00 0.00 C ATOM 0 H THR A 64 4.234 5.400 -5.771 1.00 0.00 H new ATOM 0 HA THR A 64 2.142 7.176 -6.886 1.00 0.00 H new ATOM 0 HB THR A 64 2.832 6.467 -9.159 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.090 5.553 -9.150 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.827 7.903 -9.389 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.640 8.665 -8.304 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.076 7.861 -7.628 1.00 0.00 H new ATOM 995 N VAL A 65 0.874 5.112 -7.704 1.00 0.00 N ATOM 996 CA VAL A 65 -0.043 3.986 -7.745 1.00 0.00 C ATOM 997 C VAL A 65 0.582 2.855 -8.565 1.00 0.00 C ATOM 998 O VAL A 65 0.827 1.768 -8.044 1.00 0.00 O ATOM 999 CB VAL A 65 -1.401 4.436 -8.286 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.338 3.241 -8.478 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.034 5.488 -7.373 1.00 0.00 C ATOM 0 H VAL A 65 0.607 5.901 -8.293 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.220 3.601 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.238 4.894 -9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.297 3.588 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.894 2.541 -9.186 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.491 2.741 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.998 5.791 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.177 5.067 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.378 6.356 -7.309 1.00 0.00 H new ATOM 1011 N GLN A 66 0.823 3.150 -9.834 1.00 0.00 N ATOM 1012 CA GLN A 66 1.415 2.172 -10.731 1.00 0.00 C ATOM 1013 C GLN A 66 2.676 1.573 -10.105 1.00 0.00 C ATOM 1014 O GLN A 66 3.116 0.494 -10.499 1.00 0.00 O ATOM 1015 CB GLN A 66 1.722 2.794 -12.095 1.00 0.00 C ATOM 1016 CG GLN A 66 2.059 1.715 -13.126 1.00 0.00 C ATOM 1017 CD GLN A 66 0.877 1.464 -14.064 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.355 2.364 -14.701 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.486 0.194 -14.115 1.00 0.00 N ATOM 0 H GLN A 66 0.619 4.053 -10.262 1.00 0.00 H new ATOM 0 HA GLN A 66 0.695 1.369 -10.889 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.864 3.373 -12.436 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.558 3.488 -12.003 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.930 2.021 -13.706 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.325 0.790 -12.615 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.967 -0.510 -13.556 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.295 -0.076 -14.714 1.00 0.00 H new ATOM 1028 N ALA A 67 3.222 2.300 -9.141 1.00 0.00 N ATOM 1029 CA ALA A 67 4.424 1.854 -8.457 1.00 0.00 C ATOM 1030 C ALA A 67 4.091 0.637 -7.592 1.00 0.00 C ATOM 1031 O ALA A 67 4.959 -0.192 -7.319 1.00 0.00 O ATOM 1032 CB ALA A 67 5.006 3.009 -7.640 1.00 0.00 C ATOM 0 H ALA A 67 2.854 3.195 -8.817 1.00 0.00 H new ATOM 0 HA ALA A 67 5.184 1.549 -9.176 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.908 2.674 -7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.253 3.837 -8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.273 3.341 -6.905 1.00 0.00 H new ATOM 1038 N ALA A 68 2.833 0.568 -7.183 1.00 0.00 N ATOM 1039 CA ALA A 68 2.375 -0.534 -6.354 1.00 0.00 C ATOM 1040 C ALA A 68 1.918 -1.686 -7.251 1.00 0.00 C ATOM 1041 O ALA A 68 1.426 -2.701 -6.761 1.00 0.00 O ATOM 1042 CB ALA A 68 1.264 -0.044 -5.422 1.00 0.00 C ATOM 0 H ALA A 68 2.116 1.257 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 68 3.186 -0.906 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.920 -0.870 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.648 0.754 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.432 0.334 -6.015 1.00 0.00 H new ATOM 1048 N ILE A 69 2.098 -1.491 -8.549 1.00 0.00 N ATOM 1049 CA ILE A 69 1.711 -2.501 -9.518 1.00 0.00 C ATOM 1050 C ILE A 69 2.967 -3.108 -10.145 1.00 0.00 C ATOM 1051 O ILE A 69 2.933 -4.229 -10.651 1.00 0.00 O ATOM 1052 CB ILE A 69 0.735 -1.916 -10.541 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.642 -1.682 -9.914 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.654 -2.797 -11.789 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.973 -0.190 -9.859 1.00 0.00 C ATOM 0 H ILE A 69 2.507 -0.648 -8.952 1.00 0.00 H new ATOM 0 HA ILE A 69 1.174 -3.313 -9.027 1.00 0.00 H new ATOM 0 HB ILE A 69 1.114 -0.944 -10.857 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.403 -2.206 -10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.663 -2.100 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.047 -2.358 -12.499 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.640 -2.868 -12.249 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.311 -3.793 -11.510 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.956 -0.052 -9.409 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.224 0.327 -9.259 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.975 0.220 -10.869 1.00 0.00 H new ATOM 1067 N ASP A 70 4.046 -2.341 -10.092 1.00 0.00 N ATOM 1068 CA ASP A 70 5.312 -2.790 -10.648 1.00 0.00 C ATOM 1069 C ASP A 70 6.081 -3.576 -9.585 1.00 0.00 C ATOM 1070 O ASP A 70 6.765 -4.549 -9.901 1.00 0.00 O ATOM 1071 CB ASP A 70 6.176 -1.603 -11.077 1.00 0.00 C ATOM 1072 CG ASP A 70 6.685 -1.660 -12.518 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.029 -1.168 -13.448 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.823 -2.249 -12.672 1.00 0.00 O ATOM 0 H ASP A 70 4.070 -1.411 -9.673 1.00 0.00 H new ATOM 0 HA ASP A 70 5.097 -3.412 -11.517 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.599 -0.688 -10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.033 -1.536 -10.407 1.00 0.00 H new ATOM 1080 N TYR A 71 5.944 -3.125 -8.347 1.00 0.00 N ATOM 1081 CA TYR A 71 6.618 -3.774 -7.235 1.00 0.00 C ATOM 1082 C TYR A 71 5.902 -5.067 -6.839 1.00 0.00 C ATOM 1083 O TYR A 71 6.544 -6.044 -6.456 1.00 0.00 O ATOM 1084 CB TYR A 71 6.550 -2.789 -6.067 1.00 0.00 C ATOM 1085 CG TYR A 71 7.692 -2.938 -5.059 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.996 -2.734 -5.460 1.00 0.00 C ATOM 1087 CD2 TYR A 71 7.417 -3.277 -3.750 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.071 -2.874 -4.512 1.00 0.00 C ATOM 1089 CE2 TYR A 71 8.491 -3.417 -2.802 1.00 0.00 C ATOM 1090 CZ TYR A 71 9.765 -3.209 -3.229 1.00 0.00 C ATOM 1091 OH TYR A 71 10.780 -3.341 -2.334 1.00 0.00 O ATOM 0 H TYR A 71 5.376 -2.318 -8.089 1.00 0.00 H new ATOM 0 HA TYR A 71 7.642 -4.032 -7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.558 -1.773 -6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.601 -2.922 -5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.211 -2.469 -6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.396 -3.437 -3.437 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.096 -2.717 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.289 -3.681 -1.774 1.00 0.00 H new ATOM 0 HH TYR A 71 10.414 -3.582 -1.457 1.00 0.00 H new ATOM 1101 N ILE A 72 4.582 -5.031 -6.945 1.00 0.00 N ATOM 1102 CA ILE A 72 3.772 -6.187 -6.603 1.00 0.00 C ATOM 1103 C ILE A 72 3.864 -7.220 -7.728 1.00 0.00 C ATOM 1104 O ILE A 72 3.830 -8.423 -7.475 1.00 0.00 O ATOM 1105 CB ILE A 72 2.339 -5.760 -6.277 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.320 -4.717 -5.157 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.467 -6.973 -5.945 1.00 0.00 C ATOM 1108 CD1 ILE A 72 2.995 -5.255 -3.895 1.00 0.00 C ATOM 0 H ILE A 72 4.053 -4.219 -7.263 1.00 0.00 H new ATOM 0 HA ILE A 72 4.152 -6.664 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 72 1.912 -5.290 -7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.830 -3.813 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.290 -4.438 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.454 -6.641 -5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.444 -7.649 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.881 -7.493 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.968 -4.494 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.468 -6.145 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.031 -5.510 -4.117 1.00 0.00 H new ATOM 1120 N ASN A 73 3.979 -6.713 -8.946 1.00 0.00 N ATOM 1121 CA ASN A 73 4.077 -7.576 -10.111 1.00 0.00 C ATOM 1122 C ASN A 73 5.152 -8.637 -9.865 1.00 0.00 C ATOM 1123 O ASN A 73 5.071 -9.743 -10.398 1.00 0.00 O ATOM 1124 CB ASN A 73 4.474 -6.780 -11.355 1.00 0.00 C ATOM 1125 CG ASN A 73 3.547 -7.099 -12.530 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.825 -7.949 -13.360 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.434 -6.372 -12.553 1.00 0.00 N ATOM 0 H ASN A 73 4.007 -5.714 -9.152 1.00 0.00 H new ATOM 0 HA ASN A 73 3.102 -8.035 -10.273 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.435 -5.713 -11.136 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.504 -7.012 -11.626 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.750 -6.510 -13.297 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.264 -5.677 -11.826 1.00 0.00 H new ATOM 1134 N GLY A 74 6.134 -8.263 -9.058 1.00 0.00 N ATOM 1135 CA GLY A 74 7.223 -9.168 -8.735 1.00 0.00 C ATOM 1136 C GLY A 74 6.689 -10.527 -8.277 1.00 0.00 C ATOM 1137 O GLY A 74 7.404 -11.527 -8.324 1.00 0.00 O ATOM 0 H GLY A 74 6.198 -7.345 -8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.862 -9.300 -9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.842 -8.733 -7.950 1.00 0.00 H new ATOM 1141 N HIS A 75 5.437 -10.519 -7.843 1.00 0.00 N ATOM 1142 CA HIS A 75 4.800 -11.739 -7.377 1.00 0.00 C ATOM 1143 C HIS A 75 4.956 -12.835 -8.432 1.00 0.00 C ATOM 1144 O HIS A 75 5.494 -13.904 -8.147 1.00 0.00 O ATOM 1145 CB HIS A 75 3.339 -11.479 -7.003 1.00 0.00 C ATOM 1146 CG HIS A 75 2.403 -12.609 -7.360 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.713 -13.939 -7.132 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.164 -12.595 -7.930 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.699 -14.682 -7.550 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.740 -13.847 -8.045 1.00 0.00 N ATOM 0 H HIS A 75 4.847 -9.688 -7.804 1.00 0.00 H new ATOM 0 HA HIS A 75 5.291 -12.086 -6.468 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.277 -11.294 -5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.003 -10.571 -7.503 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.620 -11.714 -8.236 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.641 -15.760 -7.507 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.155 -14.137 -8.438 1.00 0.00 H new ATOM 1158 N GLN A 76 4.475 -12.533 -9.629 1.00 0.00 N ATOM 1159 CA GLN A 76 4.554 -13.480 -10.728 1.00 0.00 C ATOM 1160 C GLN A 76 5.392 -12.900 -11.870 1.00 0.00 C ATOM 1161 O GLN A 76 5.652 -11.698 -11.904 1.00 0.00 O ATOM 1162 CB GLN A 76 3.158 -13.871 -11.217 1.00 0.00 C ATOM 1163 CG GLN A 76 2.206 -12.674 -11.173 1.00 0.00 C ATOM 1164 CD GLN A 76 2.770 -11.496 -11.970 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.765 -10.343 -11.308 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 3.183 -11.626 -13.111 1.00 0.00 N flip ATOM 0 H GLN A 76 4.029 -11.646 -9.862 1.00 0.00 H new ATOM 0 HA GLN A 76 5.043 -14.385 -10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.220 -14.254 -12.236 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.764 -14.676 -10.597 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.236 -12.961 -11.579 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.042 -12.373 -10.138 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.158 -12.541 -13.561 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.553 -10.820 -13.614 1.00 0.00 H new