USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 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 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 29 SER OG : rot -100:sc= 0.777 USER MOD Set 2.1: A 10 SER OG : rot 160:sc= -0.911 USER MOD Set 2.2: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 2 LYS NZ :NH3+ -151:sc= -4.41! (180deg=-1.87) USER MOD Set 3.2: A 5 THR OG1 : rot -110:sc= -0.281! USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.144 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -135:sc= -0.0422 (180deg=-0.539) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -129:sc= -2.11 (180deg=-6.26!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 58:sc= 1.03 USER MOD Single : A 46 MET CE :methyl 148:sc= -0.312 (180deg=-1.66!) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.04 F(o=-1.6,f=-1) USER MOD Single : A 55 ASN : amide:sc= -0.917 X(o=-0.92,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.21 K(o=0.21,f=-0.33) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 139:sc= -0.506 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.79 F(o=-9.8!,f=-1.8) USER MOD Single : A 69 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.663 -7.385 1.394 1.00 1.00 N ATOM 2 CA ALA A 1 -9.572 -7.444 0.382 1.00 1.00 C ATOM 3 C ALA A 1 -9.358 -8.894 -0.036 1.00 1.00 C ATOM 4 O ALA A 1 -9.897 -9.813 0.578 1.00 1.00 O ATOM 5 CB ALA A 1 -8.284 -6.879 0.987 1.00 1.00 C ATOM 0 H1 ALA A 1 -11.513 -6.966 0.964 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.881 -8.346 1.726 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.359 -6.801 2.199 1.00 1.00 H new ATOM 0 HA ALA A 1 -9.844 -6.852 -0.492 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.485 -6.922 0.247 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.446 -5.844 1.286 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.002 -7.469 1.859 1.00 1.00 H new ATOM 13 N LYS A 2 -8.562 -9.093 -1.084 1.00 1.00 N ATOM 14 CA LYS A 2 -8.273 -10.439 -1.585 1.00 1.00 C ATOM 15 C LYS A 2 -6.775 -10.603 -1.818 1.00 1.00 C ATOM 16 O LYS A 2 -6.040 -9.624 -1.919 1.00 1.00 O ATOM 17 CB LYS A 2 -9.033 -10.677 -2.901 1.00 1.00 C ATOM 18 CG LYS A 2 -9.089 -9.366 -3.713 1.00 1.00 C ATOM 19 CD LYS A 2 -10.399 -8.625 -3.413 1.00 1.00 C ATOM 20 CE LYS A 2 -10.396 -7.267 -4.114 1.00 1.00 C ATOM 21 NZ LYS A 2 -9.590 -6.304 -3.312 1.00 1.00 N ATOM 0 H LYS A 2 -8.106 -8.343 -1.603 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.597 -11.169 -0.844 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.539 -11.455 -3.482 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.043 -11.029 -2.691 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.237 -8.734 -3.461 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.020 -9.584 -4.779 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.249 -9.218 -3.752 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.513 -8.489 -2.337 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.979 -7.363 -5.116 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -11.416 -6.900 -4.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -9.952 -5.340 -3.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -9.660 -6.548 -2.304 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -8.595 -6.350 -3.611 1.00 1.00 H new ATOM 35 N LYS A 3 -6.337 -11.849 -1.902 1.00 1.00 N ATOM 36 CA LYS A 3 -4.927 -12.140 -2.119 1.00 1.00 C ATOM 37 C LYS A 3 -4.439 -11.480 -3.403 1.00 1.00 C ATOM 38 O LYS A 3 -3.259 -11.159 -3.535 1.00 1.00 O ATOM 39 CB LYS A 3 -4.721 -13.654 -2.221 1.00 1.00 C ATOM 40 CG LYS A 3 -5.746 -14.262 -3.213 1.00 1.00 C ATOM 41 CD LYS A 3 -6.830 -15.022 -2.445 1.00 1.00 C ATOM 42 CE LYS A 3 -7.811 -15.648 -3.433 1.00 1.00 C ATOM 43 NZ LYS A 3 -8.499 -14.567 -4.194 1.00 1.00 N ATOM 0 H LYS A 3 -6.934 -12.673 -1.824 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.358 -11.746 -1.277 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.706 -13.870 -2.556 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -4.837 -14.112 -1.239 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.199 -13.471 -3.811 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.240 -14.935 -3.905 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.377 -15.796 -1.826 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.357 -14.345 -1.773 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -7.282 -16.311 -4.118 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.542 -16.257 -2.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -9.518 -14.770 -4.242 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -8.350 -13.656 -3.715 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -8.110 -14.519 -5.157 1.00 1.00 H new ATOM 57 N GLU A 4 -5.352 -11.283 -4.351 1.00 1.00 N ATOM 58 CA GLU A 4 -4.992 -10.662 -5.620 1.00 1.00 C ATOM 59 C GLU A 4 -4.610 -9.201 -5.412 1.00 1.00 C ATOM 60 O GLU A 4 -3.550 -8.762 -5.851 1.00 1.00 O ATOM 61 CB GLU A 4 -6.168 -10.748 -6.596 1.00 1.00 C ATOM 62 CG GLU A 4 -5.714 -10.305 -7.990 1.00 1.00 C ATOM 63 CD GLU A 4 -4.770 -11.344 -8.583 1.00 1.00 C ATOM 64 OE1 GLU A 4 -4.637 -12.403 -7.989 1.00 1.00 O ATOM 65 OE2 GLU A 4 -4.190 -11.068 -9.620 1.00 1.00 O ATOM 0 H GLU A 4 -6.335 -11.541 -4.265 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.136 -11.195 -6.033 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.548 -11.769 -6.634 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.986 -10.116 -6.251 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -6.580 -10.175 -8.640 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.213 -9.339 -7.929 1.00 1.00 H new ATOM 72 N THR A 5 -5.480 -8.455 -4.737 1.00 1.00 N ATOM 73 CA THR A 5 -5.228 -7.043 -4.478 1.00 1.00 C ATOM 74 C THR A 5 -3.973 -6.864 -3.635 1.00 1.00 C ATOM 75 O THR A 5 -3.217 -5.910 -3.824 1.00 1.00 O ATOM 76 CB THR A 5 -6.424 -6.420 -3.757 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.566 -6.491 -4.599 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.119 -4.959 -3.424 1.00 1.00 C ATOM 0 H THR A 5 -6.362 -8.804 -4.361 1.00 1.00 H new ATOM 0 HA THR A 5 -5.080 -6.542 -5.435 1.00 1.00 H new ATOM 0 HB THR A 5 -6.618 -6.964 -2.833 1.00 1.00 H new ATOM 0 HG1 THR A 5 -7.803 -5.591 -4.905 1.00 1.00 H new ATOM 0 HG21 THR A 5 -6.973 -4.517 -2.910 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.242 -4.908 -2.779 1.00 1.00 H new ATOM 0 HG23 THR A 5 -5.925 -4.409 -4.345 1.00 1.00 H new ATOM 86 N ILE A 6 -3.758 -7.781 -2.707 1.00 1.00 N ATOM 87 CA ILE A 6 -2.594 -7.715 -1.835 1.00 1.00 C ATOM 88 C ILE A 6 -1.312 -7.780 -2.658 1.00 1.00 C ATOM 89 O ILE A 6 -0.348 -7.066 -2.382 1.00 1.00 O ATOM 90 CB ILE A 6 -2.619 -8.879 -0.844 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.790 -8.705 0.127 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.310 -8.910 -0.043 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.034 -10.010 0.905 1.00 1.00 C ATOM 0 H ILE A 6 -4.371 -8.578 -2.537 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.622 -6.771 -1.290 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.733 -9.811 -1.398 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.578 -7.893 0.822 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.689 -8.427 -0.423 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.334 -9.742 0.661 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.469 -9.036 -0.725 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.196 -7.974 0.504 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.869 -9.873 1.592 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.267 -10.813 0.205 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.139 -10.270 1.470 1.00 1.00 H new ATOM 105 N ASP A 7 -1.302 -8.649 -3.662 1.00 1.00 N ATOM 106 CA ASP A 7 -0.129 -8.805 -4.508 1.00 1.00 C ATOM 107 C ASP A 7 0.176 -7.509 -5.249 1.00 1.00 C ATOM 108 O ASP A 7 1.333 -7.113 -5.373 1.00 1.00 O ATOM 109 CB ASP A 7 -0.359 -9.927 -5.521 1.00 1.00 C ATOM 110 CG ASP A 7 -0.336 -11.279 -4.814 1.00 1.00 C ATOM 111 OD1 ASP A 7 0.126 -11.330 -3.686 1.00 1.00 O ATOM 112 OD2 ASP A 7 -0.782 -12.245 -5.412 1.00 1.00 O ATOM 0 H ASP A 7 -2.088 -9.251 -3.908 1.00 1.00 H new ATOM 0 HA ASP A 7 0.720 -9.056 -3.872 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.317 -9.785 -6.022 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.412 -9.897 -6.291 1.00 1.00 H new ATOM 117 N LYS A 8 -0.866 -6.857 -5.749 1.00 1.00 N ATOM 118 CA LYS A 8 -0.686 -5.617 -6.489 1.00 1.00 C ATOM 119 C LYS A 8 -0.057 -4.542 -5.615 1.00 1.00 C ATOM 120 O LYS A 8 0.920 -3.905 -6.006 1.00 1.00 O ATOM 121 CB LYS A 8 -2.039 -5.121 -6.993 1.00 1.00 C ATOM 122 CG LYS A 8 -2.753 -6.244 -7.770 1.00 1.00 C ATOM 123 CD LYS A 8 -3.681 -5.641 -8.840 1.00 1.00 C ATOM 124 CE LYS A 8 -2.882 -5.345 -10.112 1.00 1.00 C ATOM 125 NZ LYS A 8 -3.800 -4.846 -11.168 1.00 1.00 N ATOM 0 H LYS A 8 -1.835 -7.163 -5.657 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.021 -5.817 -7.329 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.655 -4.800 -6.153 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.901 -4.252 -7.637 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.017 -6.895 -8.241 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.331 -6.861 -7.083 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.493 -6.333 -9.062 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.137 -4.725 -8.465 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -2.111 -4.603 -9.905 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -2.374 -6.247 -10.453 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -3.258 -4.645 -12.032 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.520 -5.568 -11.371 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.265 -3.975 -10.841 1.00 1.00 H new ATOM 139 N VAL A 9 -0.623 -4.345 -4.434 1.00 1.00 N ATOM 140 CA VAL A 9 -0.107 -3.343 -3.517 1.00 1.00 C ATOM 141 C VAL A 9 1.293 -3.720 -3.044 1.00 1.00 C ATOM 142 O VAL A 9 2.187 -2.883 -3.021 1.00 1.00 O ATOM 143 CB VAL A 9 -1.031 -3.218 -2.304 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.488 -2.155 -1.342 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.432 -2.811 -2.764 1.00 1.00 C ATOM 0 H VAL A 9 -1.433 -4.861 -4.091 1.00 1.00 H new ATOM 0 HA VAL A 9 -0.061 -2.389 -4.043 1.00 1.00 H new ATOM 0 HB VAL A 9 -1.077 -4.180 -1.793 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.151 -2.071 -0.481 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.508 -2.443 -1.007 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.435 -1.194 -1.854 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.088 -2.723 -1.898 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.381 -1.852 -3.280 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.826 -3.568 -3.442 1.00 1.00 H new ATOM 155 N SER A 10 1.477 -4.981 -2.662 1.00 1.00 N ATOM 156 CA SER A 10 2.765 -5.433 -2.177 1.00 1.00 C ATOM 157 C SER A 10 3.830 -5.269 -3.241 1.00 1.00 C ATOM 158 O SER A 10 4.883 -4.706 -2.970 1.00 1.00 O ATOM 159 CB SER A 10 2.675 -6.904 -1.770 1.00 1.00 C ATOM 160 OG SER A 10 2.294 -7.678 -2.896 1.00 1.00 O ATOM 0 H SER A 10 0.752 -5.699 -2.681 1.00 1.00 H new ATOM 0 HA SER A 10 3.039 -4.827 -1.314 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.636 -7.247 -1.387 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.949 -7.027 -0.967 1.00 1.00 H new ATOM 0 HG SER A 10 2.539 -8.615 -2.747 1.00 1.00 H new ATOM 166 N ASP A 11 3.548 -5.757 -4.445 1.00 1.00 N ATOM 167 CA ASP A 11 4.503 -5.673 -5.540 1.00 1.00 C ATOM 168 C ASP A 11 5.053 -4.264 -5.672 1.00 1.00 C ATOM 169 O ASP A 11 6.256 -4.069 -5.787 1.00 1.00 O ATOM 170 CB ASP A 11 3.827 -6.075 -6.851 1.00 1.00 C ATOM 171 CG ASP A 11 4.877 -6.330 -7.931 1.00 1.00 C ATOM 172 OD1 ASP A 11 6.018 -6.578 -7.576 1.00 1.00 O ATOM 173 OD2 ASP A 11 4.523 -6.275 -9.098 1.00 1.00 O ATOM 0 H ASP A 11 2.668 -6.213 -4.685 1.00 1.00 H new ATOM 0 HA ASP A 11 5.327 -6.353 -5.325 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.227 -6.972 -6.699 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.147 -5.287 -7.174 1.00 1.00 H new ATOM 178 N ILE A 12 4.169 -3.285 -5.645 1.00 1.00 N ATOM 179 CA ILE A 12 4.584 -1.896 -5.756 1.00 1.00 C ATOM 180 C ILE A 12 5.366 -1.468 -4.523 1.00 1.00 C ATOM 181 O ILE A 12 6.368 -0.765 -4.623 1.00 1.00 O ATOM 182 CB ILE A 12 3.355 -1.003 -5.918 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.526 -1.482 -7.122 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.805 0.444 -6.152 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.095 -0.972 -6.992 1.00 1.00 C ATOM 0 H ILE A 12 3.163 -3.423 -5.548 1.00 1.00 H new ATOM 0 HA ILE A 12 5.228 -1.796 -6.629 1.00 1.00 H new ATOM 0 HB ILE A 12 2.746 -1.055 -5.015 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.969 -1.119 -8.049 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.532 -2.571 -7.171 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.930 1.083 -6.268 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.393 0.785 -5.300 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.413 0.494 -7.055 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.509 -1.312 -7.846 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.654 -1.357 -6.072 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.098 0.118 -6.965 1.00 1.00 H new ATOM 197 N VAL A 13 4.890 -1.877 -3.355 1.00 1.00 N ATOM 198 CA VAL A 13 5.550 -1.501 -2.106 1.00 1.00 C ATOM 199 C VAL A 13 6.968 -2.063 -2.034 1.00 1.00 C ATOM 200 O VAL A 13 7.917 -1.339 -1.741 1.00 1.00 O ATOM 201 CB VAL A 13 4.738 -2.020 -0.917 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.512 -1.778 0.384 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.393 -1.289 -0.857 1.00 1.00 C ATOM 0 H VAL A 13 4.061 -2.461 -3.243 1.00 1.00 H new ATOM 0 HA VAL A 13 5.610 -0.413 -2.072 1.00 1.00 H new ATOM 0 HB VAL A 13 4.565 -3.089 -1.039 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.930 -2.149 1.228 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.466 -2.303 0.343 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.690 -0.710 0.508 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.815 -1.659 -0.010 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.565 -0.219 -0.739 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.840 -1.468 -1.779 1.00 1.00 H new ATOM 213 N LYS A 14 7.104 -3.353 -2.297 1.00 1.00 N ATOM 214 CA LYS A 14 8.410 -3.997 -2.249 1.00 1.00 C ATOM 215 C LYS A 14 9.301 -3.503 -3.379 1.00 1.00 C ATOM 216 O LYS A 14 10.522 -3.432 -3.232 1.00 1.00 O ATOM 217 CB LYS A 14 8.243 -5.508 -2.339 1.00 1.00 C ATOM 218 CG LYS A 14 7.657 -5.884 -3.705 1.00 1.00 C ATOM 219 CD LYS A 14 7.323 -7.381 -3.738 1.00 1.00 C ATOM 220 CE LYS A 14 6.297 -7.727 -2.654 1.00 1.00 C ATOM 221 NZ LYS A 14 5.442 -8.847 -3.127 1.00 1.00 N ATOM 0 H LYS A 14 6.333 -3.973 -2.545 1.00 1.00 H new ATOM 0 HA LYS A 14 8.887 -3.741 -1.303 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.206 -5.999 -2.198 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.587 -5.859 -1.542 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.758 -5.298 -3.898 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.370 -5.644 -4.494 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.930 -7.650 -4.718 1.00 1.00 H new ATOM 0 HD3 LYS A 14 8.231 -7.965 -3.587 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.806 -8.007 -1.732 1.00 1.00 H new ATOM 0 HE3 LYS A 14 5.683 -6.856 -2.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 4.744 -9.085 -2.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 4.947 -8.563 -3.997 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 6.036 -9.678 -3.322 1.00 1.00 H new ATOM 235 N GLU A 15 8.686 -3.167 -4.504 1.00 1.00 N ATOM 236 CA GLU A 15 9.434 -2.677 -5.651 1.00 1.00 C ATOM 237 C GLU A 15 10.040 -1.311 -5.358 1.00 1.00 C ATOM 238 O GLU A 15 11.169 -1.021 -5.746 1.00 1.00 O ATOM 239 CB GLU A 15 8.513 -2.593 -6.877 1.00 1.00 C ATOM 240 CG GLU A 15 8.400 -3.972 -7.540 1.00 1.00 C ATOM 241 CD GLU A 15 7.280 -3.962 -8.575 1.00 1.00 C ATOM 242 OE1 GLU A 15 6.752 -2.894 -8.835 1.00 1.00 O ATOM 243 OE2 GLU A 15 6.970 -5.022 -9.091 1.00 1.00 O ATOM 0 H GLU A 15 7.678 -3.224 -4.646 1.00 1.00 H new ATOM 0 HA GLU A 15 10.246 -3.374 -5.858 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.526 -2.242 -6.578 1.00 1.00 H new ATOM 0 HB3 GLU A 15 8.907 -1.868 -7.590 1.00 1.00 H new ATOM 0 HG2 GLU A 15 9.345 -4.234 -8.017 1.00 1.00 H new ATOM 0 HG3 GLU A 15 8.202 -4.733 -6.785 1.00 1.00 H new ATOM 250 N LYS A 16 9.278 -0.474 -4.680 1.00 1.00 N ATOM 251 CA LYS A 16 9.745 0.860 -4.345 1.00 1.00 C ATOM 252 C LYS A 16 10.751 0.815 -3.208 1.00 1.00 C ATOM 253 O LYS A 16 11.668 1.632 -3.144 1.00 1.00 O ATOM 254 CB LYS A 16 8.561 1.735 -3.948 1.00 1.00 C ATOM 255 CG LYS A 16 7.589 1.868 -5.134 1.00 1.00 C ATOM 256 CD LYS A 16 8.063 2.966 -6.095 1.00 1.00 C ATOM 257 CE LYS A 16 8.029 4.336 -5.400 1.00 1.00 C ATOM 258 NZ LYS A 16 9.403 4.682 -4.938 1.00 1.00 N ATOM 0 H LYS A 16 8.337 -0.691 -4.351 1.00 1.00 H new ATOM 0 HA LYS A 16 10.236 1.282 -5.222 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.046 1.299 -3.092 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.912 2.720 -3.642 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.520 0.918 -5.664 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.589 2.103 -4.768 1.00 1.00 H new ATOM 0 HD2 LYS A 16 9.075 2.748 -6.435 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.426 2.984 -6.980 1.00 1.00 H new ATOM 0 HE2 LYS A 16 7.660 5.097 -6.087 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.343 4.311 -4.554 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 9.374 4.953 -3.934 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 10.027 3.858 -5.056 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 9.769 5.476 -5.501 1.00 1.00 H new ATOM 272 N LEU A 17 10.562 -0.136 -2.304 1.00 1.00 N ATOM 273 CA LEU A 17 11.449 -0.275 -1.151 1.00 1.00 C ATOM 274 C LEU A 17 12.570 -1.259 -1.447 1.00 1.00 C ATOM 275 O LEU A 17 13.436 -1.495 -0.606 1.00 1.00 O ATOM 276 CB LEU A 17 10.647 -0.752 0.063 1.00 1.00 C ATOM 277 CG LEU A 17 9.537 0.261 0.388 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.724 -0.240 1.585 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.155 1.632 0.720 1.00 1.00 C ATOM 0 H LEU A 17 9.807 -0.821 -2.343 1.00 1.00 H new ATOM 0 HA LEU A 17 11.892 0.697 -0.936 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.211 -1.730 -0.140 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.307 -0.870 0.922 1.00 1.00 H new ATOM 0 HG LEU A 17 8.884 0.367 -0.478 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.937 0.478 1.816 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.277 -1.204 1.343 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.379 -0.351 2.449 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.361 2.343 0.949 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.815 1.535 1.582 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.727 1.990 -0.136 1.00 1.00 H new ATOM 291 N ALA A 18 12.552 -1.824 -2.646 1.00 1.00 N ATOM 292 CA ALA A 18 13.581 -2.779 -3.040 1.00 1.00 C ATOM 293 C ALA A 18 13.285 -3.342 -4.427 1.00 1.00 C ATOM 294 O ALA A 18 12.370 -2.894 -5.105 1.00 1.00 O ATOM 295 CB ALA A 18 13.650 -3.917 -2.014 1.00 1.00 C ATOM 0 H ALA A 18 11.844 -1.641 -3.357 1.00 1.00 H new ATOM 0 HA ALA A 18 14.542 -2.266 -3.074 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.420 -4.629 -2.311 1.00 1.00 H new ATOM 0 HB2 ALA A 18 13.893 -3.508 -1.033 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.686 -4.424 -1.967 1.00 1.00 H new ATOM 301 N LEU A 19 14.071 -4.328 -4.836 1.00 1.00 N ATOM 302 CA LEU A 19 13.884 -4.945 -6.146 1.00 1.00 C ATOM 303 C LEU A 19 12.613 -5.785 -6.169 1.00 1.00 C ATOM 304 O LEU A 19 12.020 -6.000 -7.226 1.00 1.00 O ATOM 305 CB LEU A 19 15.085 -5.830 -6.477 1.00 1.00 C ATOM 306 CG LEU A 19 16.373 -5.012 -6.349 1.00 1.00 C ATOM 307 CD1 LEU A 19 17.580 -5.913 -6.627 1.00 1.00 C ATOM 308 CD2 LEU A 19 16.354 -3.848 -7.356 1.00 1.00 C ATOM 0 H LEU A 19 14.838 -4.717 -4.287 1.00 1.00 H new ATOM 0 HA LEU A 19 13.795 -4.154 -6.890 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.117 -6.686 -5.802 1.00 1.00 H new ATOM 0 HB3 LEU A 19 14.991 -6.225 -7.489 1.00 1.00 H new ATOM 0 HG LEU A 19 16.445 -4.609 -5.339 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.497 -5.331 -6.536 1.00 1.00 H new ATOM 0 HD12 LEU A 19 17.597 -6.731 -5.907 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.506 -6.319 -7.636 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.273 -3.269 -7.261 1.00 1.00 H new ATOM 0 HD22 LEU A 19 16.278 -4.244 -8.369 1.00 1.00 H new ATOM 0 HD23 LEU A 19 15.498 -3.205 -7.153 1.00 1.00 H new ATOM 320 N GLY A 20 12.196 -6.254 -4.999 1.00 1.00 N ATOM 321 CA GLY A 20 10.989 -7.069 -4.893 1.00 1.00 C ATOM 322 C GLY A 20 11.324 -8.552 -5.013 1.00 1.00 C ATOM 323 O GLY A 20 10.575 -9.408 -4.542 1.00 1.00 O ATOM 0 H GLY A 20 12.673 -6.086 -4.113 1.00 1.00 H new ATOM 0 HA2 GLY A 20 10.499 -6.878 -3.938 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.284 -6.786 -5.675 1.00 1.00 H new ATOM 327 N ALA A 21 12.456 -8.851 -5.648 1.00 1.00 N ATOM 328 CA ALA A 21 12.883 -10.237 -5.826 1.00 1.00 C ATOM 329 C ALA A 21 13.750 -10.689 -4.658 1.00 1.00 C ATOM 330 O ALA A 21 13.740 -11.861 -4.281 1.00 1.00 O ATOM 331 CB ALA A 21 13.671 -10.376 -7.130 1.00 1.00 C ATOM 0 H ALA A 21 13.090 -8.157 -6.045 1.00 1.00 H new ATOM 0 HA ALA A 21 11.994 -10.867 -5.867 1.00 1.00 H new ATOM 0 HB1 ALA A 21 13.986 -11.412 -7.256 1.00 1.00 H new ATOM 0 HB2 ALA A 21 13.040 -10.084 -7.969 1.00 1.00 H new ATOM 0 HB3 ALA A 21 14.549 -9.731 -7.095 1.00 1.00 H new ATOM 337 N ASP A 22 14.505 -9.753 -4.090 1.00 1.00 N ATOM 338 CA ASP A 22 15.383 -10.064 -2.964 1.00 1.00 C ATOM 339 C ASP A 22 14.673 -9.812 -1.642 1.00 1.00 C ATOM 340 O ASP A 22 15.262 -9.965 -0.571 1.00 1.00 O ATOM 341 CB ASP A 22 16.645 -9.204 -3.033 1.00 1.00 C ATOM 342 CG ASP A 22 16.271 -7.728 -3.102 1.00 1.00 C ATOM 343 OD1 ASP A 22 15.090 -7.440 -3.210 1.00 1.00 O ATOM 344 OD2 ASP A 22 17.172 -6.907 -3.048 1.00 1.00 O ATOM 0 H ASP A 22 14.528 -8.778 -4.388 1.00 1.00 H new ATOM 0 HA ASP A 22 15.654 -11.118 -3.024 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.268 -9.389 -2.158 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.234 -9.479 -3.908 1.00 1.00 H new ATOM 349 N VAL A 23 13.404 -9.423 -1.719 1.00 1.00 N ATOM 350 CA VAL A 23 12.614 -9.149 -0.519 1.00 1.00 C ATOM 351 C VAL A 23 11.265 -9.848 -0.596 1.00 1.00 C ATOM 352 O VAL A 23 10.723 -10.055 -1.682 1.00 1.00 O ATOM 353 CB VAL A 23 12.402 -7.641 -0.372 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.671 -7.101 -1.604 1.00 1.00 C ATOM 355 CG2 VAL A 23 11.565 -7.366 0.879 1.00 1.00 C ATOM 0 H VAL A 23 12.900 -9.290 -2.596 1.00 1.00 H new ATOM 0 HA VAL A 23 13.156 -9.528 0.347 1.00 1.00 H new ATOM 0 HB VAL A 23 13.369 -7.146 -0.281 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.521 -6.027 -1.496 1.00 1.00 H new ATOM 0 HG12 VAL A 23 12.267 -7.297 -2.496 1.00 1.00 H new ATOM 0 HG13 VAL A 23 10.704 -7.594 -1.698 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.413 -6.292 0.986 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.599 -7.862 0.787 1.00 1.00 H new ATOM 0 HG23 VAL A 23 12.086 -7.748 1.757 1.00 1.00 H new ATOM 365 N VAL A 24 10.720 -10.206 0.562 1.00 1.00 N ATOM 366 CA VAL A 24 9.422 -10.876 0.620 1.00 1.00 C ATOM 367 C VAL A 24 8.549 -10.249 1.698 1.00 1.00 C ATOM 368 O VAL A 24 8.914 -10.232 2.874 1.00 1.00 O ATOM 369 CB VAL A 24 9.620 -12.361 0.922 1.00 1.00 C ATOM 370 CG1 VAL A 24 10.350 -12.524 2.263 1.00 1.00 C ATOM 371 CG2 VAL A 24 8.254 -13.048 0.993 1.00 1.00 C ATOM 0 H VAL A 24 11.154 -10.045 1.471 1.00 1.00 H new ATOM 0 HA VAL A 24 8.927 -10.763 -0.345 1.00 1.00 H new ATOM 0 HB VAL A 24 10.218 -12.817 0.132 1.00 1.00 H new ATOM 0 HG11 VAL A 24 10.489 -13.584 2.475 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.322 -12.034 2.210 1.00 1.00 H new ATOM 0 HG13 VAL A 24 9.757 -12.070 3.057 1.00 1.00 H new ATOM 0 HG21 VAL A 24 8.390 -14.108 1.208 1.00 1.00 H new ATOM 0 HG22 VAL A 24 7.658 -12.591 1.783 1.00 1.00 H new ATOM 0 HG23 VAL A 24 7.740 -12.935 0.039 1.00 1.00 H new ATOM 381 N VAL A 25 7.391 -9.734 1.294 1.00 1.00 N ATOM 382 CA VAL A 25 6.459 -9.104 2.228 1.00 1.00 C ATOM 383 C VAL A 25 5.145 -9.877 2.260 1.00 1.00 C ATOM 384 O VAL A 25 4.755 -10.496 1.270 1.00 1.00 O ATOM 385 CB VAL A 25 6.203 -7.650 1.815 1.00 1.00 C ATOM 386 CG1 VAL A 25 7.507 -7.028 1.311 1.00 1.00 C ATOM 387 CG2 VAL A 25 5.143 -7.598 0.710 1.00 1.00 C ATOM 0 H VAL A 25 7.074 -9.740 0.325 1.00 1.00 H new ATOM 0 HA VAL A 25 6.899 -9.116 3.225 1.00 1.00 H new ATOM 0 HB VAL A 25 5.842 -7.089 2.677 1.00 1.00 H new ATOM 0 HG11 VAL A 25 7.327 -5.994 1.017 1.00 1.00 H new ATOM 0 HG12 VAL A 25 8.253 -7.055 2.105 1.00 1.00 H new ATOM 0 HG13 VAL A 25 7.871 -7.592 0.452 1.00 1.00 H new ATOM 0 HG21 VAL A 25 4.967 -6.561 0.423 1.00 1.00 H new ATOM 0 HG22 VAL A 25 5.492 -8.160 -0.156 1.00 1.00 H new ATOM 0 HG23 VAL A 25 4.214 -8.035 1.076 1.00 1.00 H new ATOM 397 N THR A 26 4.467 -9.834 3.398 1.00 1.00 N ATOM 398 CA THR A 26 3.191 -10.534 3.554 1.00 1.00 C ATOM 399 C THR A 26 2.176 -9.644 4.261 1.00 1.00 C ATOM 400 O THR A 26 2.528 -8.619 4.840 1.00 1.00 O ATOM 401 CB THR A 26 3.403 -11.824 4.357 1.00 1.00 C ATOM 402 OG1 THR A 26 4.359 -11.588 5.381 1.00 1.00 O ATOM 403 CG2 THR A 26 3.906 -12.932 3.433 1.00 1.00 C ATOM 0 H THR A 26 4.774 -9.325 4.227 1.00 1.00 H new ATOM 0 HA THR A 26 2.805 -10.783 2.565 1.00 1.00 H new ATOM 0 HB THR A 26 2.457 -12.132 4.803 1.00 1.00 H new ATOM 0 HG1 THR A 26 4.496 -12.410 5.897 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.055 -13.846 4.008 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.171 -13.113 2.648 1.00 1.00 H new ATOM 0 HG23 THR A 26 4.851 -12.629 2.982 1.00 1.00 H new ATOM 411 N ALA A 27 0.913 -10.051 4.205 1.00 1.00 N ATOM 412 CA ALA A 27 -0.152 -9.293 4.842 1.00 1.00 C ATOM 413 C ALA A 27 0.216 -8.971 6.283 1.00 1.00 C ATOM 414 O ALA A 27 -0.435 -8.156 6.935 1.00 1.00 O ATOM 415 CB ALA A 27 -1.448 -10.096 4.809 1.00 1.00 C ATOM 0 H ALA A 27 0.605 -10.898 3.727 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.291 -8.359 4.298 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.243 -9.524 5.287 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.722 -10.302 3.774 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.307 -11.037 5.342 1.00 1.00 H new ATOM 421 N ASP A 28 1.263 -9.622 6.780 1.00 1.00 N ATOM 422 CA ASP A 28 1.713 -9.402 8.154 1.00 1.00 C ATOM 423 C ASP A 28 2.920 -8.469 8.183 1.00 1.00 C ATOM 424 O ASP A 28 3.341 -8.019 9.249 1.00 1.00 O ATOM 425 CB ASP A 28 2.090 -10.736 8.797 1.00 1.00 C ATOM 426 CG ASP A 28 2.235 -10.567 10.308 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.754 -9.571 10.824 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.825 -11.438 10.927 1.00 1.00 O ATOM 0 H ASP A 28 1.814 -10.303 6.257 1.00 1.00 H new ATOM 0 HA ASP A 28 0.898 -8.942 8.712 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.327 -11.483 8.578 1.00 1.00 H new ATOM 0 HB3 ASP A 28 3.025 -11.102 8.373 1.00 1.00 H new ATOM 433 N SER A 29 3.476 -8.181 7.007 1.00 1.00 N ATOM 434 CA SER A 29 4.634 -7.304 6.921 1.00 1.00 C ATOM 435 C SER A 29 4.227 -5.854 7.159 1.00 1.00 C ATOM 436 O SER A 29 3.315 -5.342 6.510 1.00 1.00 O ATOM 437 CB SER A 29 5.276 -7.434 5.541 1.00 1.00 C ATOM 438 OG SER A 29 5.699 -8.777 5.345 1.00 1.00 O ATOM 0 H SER A 29 3.145 -8.540 6.111 1.00 1.00 H new ATOM 0 HA SER A 29 5.350 -7.597 7.688 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.563 -7.148 4.767 1.00 1.00 H new ATOM 0 HB3 SER A 29 6.126 -6.757 5.457 1.00 1.00 H new ATOM 0 HG SER A 29 6.663 -8.844 5.511 1.00 1.00 H new ATOM 444 N GLU A 30 4.915 -5.195 8.087 1.00 1.00 N ATOM 445 CA GLU A 30 4.623 -3.798 8.399 1.00 1.00 C ATOM 446 C GLU A 30 5.444 -2.876 7.508 1.00 1.00 C ATOM 447 O GLU A 30 6.604 -3.155 7.219 1.00 1.00 O ATOM 448 CB GLU A 30 4.944 -3.514 9.866 1.00 1.00 C ATOM 449 CG GLU A 30 3.956 -4.266 10.760 1.00 1.00 C ATOM 450 CD GLU A 30 4.324 -4.071 12.225 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.266 -3.340 12.488 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.659 -4.654 13.066 1.00 1.00 O ATOM 0 H GLU A 30 5.674 -5.602 8.633 1.00 1.00 H new ATOM 0 HA GLU A 30 3.564 -3.614 8.219 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.964 -3.824 10.093 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.885 -2.443 10.061 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.943 -3.905 10.580 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.965 -5.328 10.513 1.00 1.00 H new ATOM 459 N PHE A 31 4.835 -1.778 7.080 1.00 1.00 N ATOM 460 CA PHE A 31 5.520 -0.823 6.215 1.00 1.00 C ATOM 461 C PHE A 31 6.805 -0.329 6.867 1.00 1.00 C ATOM 462 O PHE A 31 7.833 -0.188 6.204 1.00 1.00 O ATOM 463 CB PHE A 31 4.603 0.367 5.928 1.00 1.00 C ATOM 464 CG PHE A 31 3.479 -0.064 5.014 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.713 -0.214 3.641 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.202 -0.321 5.536 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.672 -0.611 2.797 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.167 -0.717 4.687 1.00 1.00 C ATOM 469 CZ PHE A 31 1.403 -0.866 3.319 1.00 1.00 C ATOM 0 H PHE A 31 3.875 -1.526 7.315 1.00 1.00 H new ATOM 0 HA PHE A 31 5.773 -1.325 5.281 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.196 0.758 6.861 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.172 1.173 5.465 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.696 -0.023 3.235 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.020 -0.212 6.595 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.850 -0.721 1.737 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.183 -0.908 5.089 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.603 -1.179 2.664 1.00 1.00 H new ATOM 479 N SER A 32 6.741 -0.066 8.167 1.00 1.00 N ATOM 480 CA SER A 32 7.909 0.413 8.897 1.00 1.00 C ATOM 481 C SER A 32 9.056 -0.589 8.798 1.00 1.00 C ATOM 482 O SER A 32 10.212 -0.208 8.620 1.00 1.00 O ATOM 483 CB SER A 32 7.550 0.633 10.365 1.00 1.00 C ATOM 484 OG SER A 32 6.487 1.573 10.452 1.00 1.00 O ATOM 0 H SER A 32 5.900 -0.175 8.734 1.00 1.00 H new ATOM 0 HA SER A 32 8.228 1.356 8.453 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.255 -0.310 10.825 1.00 1.00 H new ATOM 0 HB3 SER A 32 8.419 0.997 10.913 1.00 1.00 H new ATOM 0 HG SER A 32 6.253 1.716 11.393 1.00 1.00 H new ATOM 490 N LYS A 33 8.726 -1.870 8.912 1.00 1.00 N ATOM 491 CA LYS A 33 9.735 -2.922 8.831 1.00 1.00 C ATOM 492 C LYS A 33 10.403 -2.929 7.461 1.00 1.00 C ATOM 493 O LYS A 33 11.606 -3.163 7.348 1.00 1.00 O ATOM 494 CB LYS A 33 9.093 -4.286 9.098 1.00 1.00 C ATOM 495 CG LYS A 33 8.766 -4.418 10.586 1.00 1.00 C ATOM 496 CD LYS A 33 8.079 -5.761 10.840 1.00 1.00 C ATOM 497 CE LYS A 33 7.710 -5.874 12.320 1.00 1.00 C ATOM 498 NZ LYS A 33 7.027 -7.176 12.564 1.00 1.00 N ATOM 0 H LYS A 33 7.774 -2.205 9.060 1.00 1.00 H new ATOM 0 HA LYS A 33 10.495 -2.724 9.587 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.185 -4.394 8.505 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.770 -5.084 8.792 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.679 -4.347 11.178 1.00 1.00 H new ATOM 0 HG3 LYS A 33 8.117 -3.600 10.901 1.00 1.00 H new ATOM 0 HD2 LYS A 33 7.184 -5.846 10.224 1.00 1.00 H new ATOM 0 HD3 LYS A 33 8.741 -6.579 10.556 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.606 -5.800 12.936 1.00 1.00 H new ATOM 0 HE3 LYS A 33 7.057 -5.049 12.607 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 6.776 -7.253 13.570 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 6.164 -7.229 11.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 7.664 -7.956 12.305 1.00 1.00 H new ATOM 512 N LEU A 34 9.615 -2.678 6.423 1.00 1.00 N ATOM 513 CA LEU A 34 10.140 -2.672 5.064 1.00 1.00 C ATOM 514 C LEU A 34 11.140 -1.543 4.885 1.00 1.00 C ATOM 515 O LEU A 34 11.934 -1.548 3.944 1.00 1.00 O ATOM 516 CB LEU A 34 8.993 -2.501 4.067 1.00 1.00 C ATOM 517 CG LEU A 34 7.995 -3.654 4.224 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.793 -3.426 3.302 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.672 -4.989 3.868 1.00 1.00 C ATOM 0 H LEU A 34 8.618 -2.477 6.495 1.00 1.00 H new ATOM 0 HA LEU A 34 10.644 -3.621 4.882 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.492 -1.548 4.235 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.383 -2.481 3.049 1.00 1.00 H new ATOM 0 HG LEU A 34 7.656 -3.691 5.259 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.086 -4.248 3.416 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.305 -2.488 3.566 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.132 -3.380 2.267 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.955 -5.802 3.982 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.022 -4.956 2.836 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.519 -5.156 4.533 1.00 1.00 H new ATOM 531 N GLY A 35 11.109 -0.578 5.796 1.00 1.00 N ATOM 532 CA GLY A 35 12.032 0.554 5.738 1.00 1.00 C ATOM 533 C GLY A 35 11.339 1.798 5.199 1.00 1.00 C ATOM 534 O GLY A 35 11.984 2.811 4.933 1.00 1.00 O ATOM 0 H GLY A 35 10.459 -0.554 6.581 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.427 0.756 6.733 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.881 0.303 5.103 1.00 1.00 H new ATOM 538 N ALA A 36 10.022 1.715 5.040 1.00 1.00 N ATOM 539 CA ALA A 36 9.258 2.845 4.535 1.00 1.00 C ATOM 540 C ALA A 36 9.498 4.080 5.395 1.00 1.00 C ATOM 541 O ALA A 36 9.030 4.160 6.530 1.00 1.00 O ATOM 542 CB ALA A 36 7.765 2.505 4.541 1.00 1.00 C ATOM 0 H ALA A 36 9.468 0.885 5.252 1.00 1.00 H new ATOM 0 HA ALA A 36 9.583 3.055 3.516 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.197 3.354 4.162 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.587 1.637 3.906 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.447 2.281 5.559 1.00 1.00 H new ATOM 548 N ASP A 37 10.229 5.044 4.842 1.00 1.00 N ATOM 549 CA ASP A 37 10.528 6.284 5.558 1.00 1.00 C ATOM 550 C ASP A 37 9.504 7.359 5.216 1.00 1.00 C ATOM 551 O ASP A 37 8.546 7.109 4.484 1.00 1.00 O ATOM 552 CB ASP A 37 11.928 6.774 5.192 1.00 1.00 C ATOM 553 CG ASP A 37 12.978 5.837 5.784 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.598 4.951 6.532 1.00 1.00 O ATOM 555 OD2 ASP A 37 14.143 6.015 5.474 1.00 1.00 O ATOM 0 H ASP A 37 10.625 4.992 3.903 1.00 1.00 H new ATOM 0 HA ASP A 37 10.483 6.083 6.628 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.036 6.817 4.108 1.00 1.00 H new ATOM 0 HB3 ASP A 37 12.078 7.786 5.568 1.00 1.00 H new ATOM 560 N SER A 38 9.711 8.556 5.753 1.00 1.00 N ATOM 561 CA SER A 38 8.794 9.663 5.502 1.00 1.00 C ATOM 562 C SER A 38 8.707 9.957 4.006 1.00 1.00 C ATOM 563 O SER A 38 7.616 10.099 3.455 1.00 1.00 O ATOM 564 CB SER A 38 9.279 10.911 6.243 1.00 1.00 C ATOM 0 H SER A 38 10.498 8.784 6.360 1.00 1.00 H new ATOM 0 HA SER A 38 7.804 9.385 5.863 1.00 1.00 H new ATOM 569 N LEU A 39 9.862 10.044 3.358 1.00 1.00 N ATOM 570 CA LEU A 39 9.909 10.317 1.926 1.00 1.00 C ATOM 571 C LEU A 39 9.305 9.161 1.141 1.00 1.00 C ATOM 572 O LEU A 39 8.639 9.363 0.126 1.00 1.00 O ATOM 573 CB LEU A 39 11.355 10.545 1.484 1.00 1.00 C ATOM 574 CG LEU A 39 12.004 11.603 2.380 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.475 11.769 1.989 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.276 12.947 2.215 1.00 1.00 C ATOM 0 H LEU A 39 10.775 9.930 3.798 1.00 1.00 H new ATOM 0 HA LEU A 39 9.326 11.216 1.726 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.915 9.612 1.542 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.381 10.869 0.444 1.00 1.00 H new ATOM 0 HG LEU A 39 11.935 11.283 3.420 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.938 12.522 2.626 1.00 1.00 H new ATOM 0 HD12 LEU A 39 13.994 10.819 2.114 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.541 12.084 0.948 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.743 13.695 2.856 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.338 13.269 1.176 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.229 12.831 2.497 1.00 1.00 H new ATOM 588 N ASP A 40 9.551 7.945 1.612 1.00 1.00 N ATOM 589 CA ASP A 40 9.027 6.764 0.946 1.00 1.00 C ATOM 590 C ASP A 40 7.541 6.591 1.234 1.00 1.00 C ATOM 591 O ASP A 40 6.756 6.354 0.323 1.00 1.00 O ATOM 592 CB ASP A 40 9.782 5.519 1.414 1.00 1.00 C ATOM 593 CG ASP A 40 11.191 5.514 0.832 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.440 6.294 -0.073 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.000 4.728 1.297 1.00 1.00 O ATOM 0 H ASP A 40 10.106 7.753 2.446 1.00 1.00 H new ATOM 0 HA ASP A 40 9.164 6.894 -0.128 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.829 5.500 2.503 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.248 4.621 1.103 1.00 1.00 H new ATOM 600 N THR A 41 7.164 6.717 2.504 1.00 1.00 N ATOM 601 CA THR A 41 5.773 6.542 2.902 1.00 1.00 C ATOM 602 C THR A 41 4.840 7.271 1.945 1.00 1.00 C ATOM 603 O THR A 41 3.833 6.716 1.504 1.00 1.00 O ATOM 604 CB THR A 41 5.573 7.091 4.322 1.00 1.00 C ATOM 605 OG1 THR A 41 6.334 6.317 5.241 1.00 1.00 O ATOM 606 CG2 THR A 41 4.092 7.021 4.694 1.00 1.00 C ATOM 0 H THR A 41 7.800 6.938 3.270 1.00 1.00 H new ATOM 0 HA THR A 41 5.538 5.478 2.876 1.00 1.00 H new ATOM 0 HB THR A 41 5.905 8.128 4.361 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.279 6.338 4.983 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.951 7.411 5.702 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.511 7.617 3.990 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.756 5.985 4.656 1.00 1.00 H new ATOM 614 N VAL A 42 5.187 8.499 1.614 1.00 1.00 N ATOM 615 CA VAL A 42 4.379 9.290 0.693 1.00 1.00 C ATOM 616 C VAL A 42 4.489 8.734 -0.722 1.00 1.00 C ATOM 617 O VAL A 42 3.540 8.808 -1.504 1.00 1.00 O ATOM 618 CB VAL A 42 4.826 10.753 0.720 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.318 10.840 0.410 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.041 11.547 -0.328 1.00 1.00 C ATOM 0 H VAL A 42 6.019 8.974 1.965 1.00 1.00 H new ATOM 0 HA VAL A 42 3.337 9.234 1.010 1.00 1.00 H new ATOM 0 HB VAL A 42 4.637 11.169 1.710 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.634 11.883 0.430 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.878 10.277 1.157 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.509 10.422 -0.578 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.360 12.589 -0.309 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.228 11.129 -1.317 1.00 1.00 H new ATOM 0 HG23 VAL A 42 2.976 11.489 -0.105 1.00 1.00 H new ATOM 630 N GLU A 43 5.657 8.188 -1.050 1.00 1.00 N ATOM 631 CA GLU A 43 5.883 7.634 -2.373 1.00 1.00 C ATOM 632 C GLU A 43 5.032 6.385 -2.579 1.00 1.00 C ATOM 633 O GLU A 43 4.549 6.125 -3.682 1.00 1.00 O ATOM 634 CB GLU A 43 7.370 7.291 -2.546 1.00 1.00 C ATOM 635 CG GLU A 43 7.713 7.247 -4.032 1.00 1.00 C ATOM 636 CD GLU A 43 7.712 8.656 -4.611 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.583 9.593 -3.839 1.00 1.00 O ATOM 638 OE2 GLU A 43 7.840 8.781 -5.817 1.00 1.00 O ATOM 0 H GLU A 43 6.455 8.120 -0.418 1.00 1.00 H new ATOM 0 HA GLU A 43 5.597 8.376 -3.118 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.987 8.035 -2.042 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.588 6.329 -2.083 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.691 6.788 -4.174 1.00 1.00 H new ATOM 0 HG3 GLU A 43 6.990 6.627 -4.562 1.00 1.00 H new ATOM 645 N ILE A 44 4.849 5.617 -1.510 1.00 1.00 N ATOM 646 CA ILE A 44 4.052 4.400 -1.584 1.00 1.00 C ATOM 647 C ILE A 44 2.619 4.727 -1.965 1.00 1.00 C ATOM 648 O ILE A 44 2.039 4.087 -2.841 1.00 1.00 O ATOM 649 CB ILE A 44 4.079 3.672 -0.234 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.526 3.388 0.181 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.318 2.359 -0.336 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.253 2.595 -0.909 1.00 1.00 C ATOM 0 H ILE A 44 5.239 5.815 -0.589 1.00 1.00 H new ATOM 0 HA ILE A 44 4.479 3.751 -2.349 1.00 1.00 H new ATOM 0 HB ILE A 44 3.607 4.308 0.515 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.048 4.327 0.365 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.539 2.828 1.116 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.342 1.849 0.627 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.283 2.559 -0.615 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.782 1.727 -1.093 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.279 2.403 -0.596 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.740 1.647 -1.073 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.258 3.170 -1.835 1.00 1.00 H new ATOM 664 N VAL A 45 2.054 5.723 -1.303 1.00 1.00 N ATOM 665 CA VAL A 45 0.685 6.127 -1.583 1.00 1.00 C ATOM 666 C VAL A 45 0.582 6.744 -2.972 1.00 1.00 C ATOM 667 O VAL A 45 -0.361 6.475 -3.713 1.00 1.00 O ATOM 668 CB VAL A 45 0.214 7.139 -0.539 1.00 1.00 C ATOM 669 CG1 VAL A 45 -1.238 7.530 -0.824 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.317 6.517 0.851 1.00 1.00 C ATOM 0 H VAL A 45 2.518 6.264 -0.573 1.00 1.00 H new ATOM 0 HA VAL A 45 0.051 5.241 -1.542 1.00 1.00 H new ATOM 0 HB VAL A 45 0.841 8.030 -0.584 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -1.573 8.252 -0.079 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -1.307 7.975 -1.817 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.869 6.643 -0.779 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.018 7.237 1.598 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.310 5.626 0.898 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.353 6.243 1.051 1.00 1.00 H new ATOM 680 N MET A 46 1.552 7.583 -3.315 1.00 1.00 N ATOM 681 CA MET A 46 1.544 8.249 -4.610 1.00 1.00 C ATOM 682 C MET A 46 1.485 7.229 -5.742 1.00 1.00 C ATOM 683 O MET A 46 0.685 7.365 -6.669 1.00 1.00 O ATOM 684 CB MET A 46 2.810 9.094 -4.768 1.00 1.00 C ATOM 685 CG MET A 46 2.639 10.078 -5.935 1.00 1.00 C ATOM 686 SD MET A 46 1.808 11.572 -5.338 1.00 1.00 S ATOM 687 CE MET A 46 3.139 12.184 -4.268 1.00 1.00 C ATOM 0 H MET A 46 2.347 7.816 -2.720 1.00 1.00 H new ATOM 0 HA MET A 46 0.662 8.887 -4.659 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.010 9.640 -3.846 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.669 8.448 -4.949 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.611 10.332 -6.357 1.00 1.00 H new ATOM 0 HG3 MET A 46 2.056 9.617 -6.732 1.00 1.00 H new ATOM 0 HE1 MET A 46 3.121 13.274 -4.252 1.00 1.00 H new ATOM 0 HE2 MET A 46 2.997 11.804 -3.256 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.100 11.843 -4.652 1.00 1.00 H new ATOM 697 N ASN A 47 2.335 6.211 -5.665 1.00 1.00 N ATOM 698 CA ASN A 47 2.364 5.182 -6.695 1.00 1.00 C ATOM 699 C ASN A 47 1.042 4.418 -6.733 1.00 1.00 C ATOM 700 O ASN A 47 0.511 4.132 -7.806 1.00 1.00 O ATOM 701 CB ASN A 47 3.513 4.207 -6.415 1.00 1.00 C ATOM 702 CG ASN A 47 4.841 4.825 -6.840 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.370 5.771 -6.115 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 5.407 4.438 -7.862 1.00 1.00 N flip ATOM 0 H ASN A 47 3.006 6.077 -4.908 1.00 1.00 H new ATOM 0 HA ASN A 47 2.516 5.662 -7.662 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.541 3.961 -5.353 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.348 3.274 -6.954 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.990 3.698 -8.427 1.00 1.00 H new ATOM 0 HD22 ASN A 47 6.293 4.857 -8.144 1.00 1.00 H new ATOM 711 N LEU A 48 0.525 4.083 -5.559 1.00 1.00 N ATOM 712 CA LEU A 48 -0.724 3.341 -5.475 1.00 1.00 C ATOM 713 C LEU A 48 -1.885 4.171 -5.999 1.00 1.00 C ATOM 714 O LEU A 48 -2.736 3.675 -6.733 1.00 1.00 O ATOM 715 CB LEU A 48 -0.989 2.940 -4.018 1.00 1.00 C ATOM 716 CG LEU A 48 0.075 1.940 -3.550 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.112 1.918 -2.019 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.264 0.535 -4.057 1.00 1.00 C ATOM 0 H LEU A 48 0.947 4.311 -4.659 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.636 2.446 -6.091 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.975 3.824 -3.380 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.981 2.497 -3.928 1.00 1.00 H new ATOM 0 HG LEU A 48 1.044 2.244 -3.945 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.868 1.208 -1.683 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.358 2.912 -1.647 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.863 1.618 -1.636 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.498 -0.167 -3.719 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.236 0.232 -3.667 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.296 0.539 -5.147 1.00 1.00 H new ATOM 730 N GLU A 49 -1.913 5.438 -5.621 1.00 1.00 N ATOM 731 CA GLU A 49 -2.980 6.324 -6.061 1.00 1.00 C ATOM 732 C GLU A 49 -3.025 6.410 -7.578 1.00 1.00 C ATOM 733 O GLU A 49 -4.097 6.401 -8.179 1.00 1.00 O ATOM 734 CB GLU A 49 -2.776 7.724 -5.470 1.00 1.00 C ATOM 735 CG GLU A 49 -3.195 7.736 -3.998 1.00 1.00 C ATOM 736 CD GLU A 49 -2.975 9.123 -3.404 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.532 9.995 -4.134 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.261 9.295 -2.231 1.00 1.00 O ATOM 0 H GLU A 49 -1.217 5.874 -5.016 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.928 5.915 -5.710 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.730 8.018 -5.562 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.362 8.453 -6.030 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.244 7.455 -3.908 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.618 6.997 -3.441 1.00 1.00 H new ATOM 745 N GLU A 50 -1.858 6.496 -8.185 1.00 1.00 N ATOM 746 CA GLU A 50 -1.767 6.593 -9.637 1.00 1.00 C ATOM 747 C GLU A 50 -2.081 5.252 -10.291 1.00 1.00 C ATOM 748 O GLU A 50 -2.664 5.200 -11.375 1.00 1.00 O ATOM 749 CB GLU A 50 -0.365 7.047 -10.051 1.00 1.00 C ATOM 750 CG GLU A 50 -0.348 7.377 -11.548 1.00 1.00 C ATOM 751 CD GLU A 50 -1.189 8.621 -11.817 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.416 9.372 -10.881 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.597 8.805 -12.952 1.00 1.00 O ATOM 0 H GLU A 50 -0.960 6.501 -7.702 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.499 7.327 -9.972 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.071 7.923 -9.473 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.360 6.263 -9.834 1.00 1.00 H new ATOM 0 HG2 GLU A 50 0.677 7.542 -11.881 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -0.737 6.534 -12.119 1.00 1.00 H new ATOM 760 N GLU A 51 -1.676 4.170 -9.635 1.00 1.00 N ATOM 761 CA GLU A 51 -1.903 2.838 -10.175 1.00 1.00 C ATOM 762 C GLU A 51 -3.392 2.521 -10.227 1.00 1.00 C ATOM 763 O GLU A 51 -3.892 2.015 -11.232 1.00 1.00 O ATOM 764 CB GLU A 51 -1.196 1.800 -9.305 1.00 1.00 C ATOM 765 CG GLU A 51 -1.253 0.429 -9.987 1.00 1.00 C ATOM 766 CD GLU A 51 -0.336 0.419 -11.206 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.383 1.386 -11.389 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.370 -0.555 -11.939 1.00 1.00 O ATOM 0 H GLU A 51 -1.193 4.190 -8.737 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.502 2.807 -11.188 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.159 2.093 -9.143 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.670 1.749 -8.325 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -0.950 -0.349 -9.286 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.276 0.205 -10.289 1.00 1.00 H new ATOM 775 N PHE A 52 -4.098 2.812 -9.137 1.00 1.00 N ATOM 776 CA PHE A 52 -5.531 2.541 -9.070 1.00 1.00 C ATOM 777 C PHE A 52 -6.331 3.806 -9.355 1.00 1.00 C ATOM 778 O PHE A 52 -7.559 3.770 -9.443 1.00 1.00 O ATOM 779 CB PHE A 52 -5.890 2.005 -7.684 1.00 1.00 C ATOM 780 CG PHE A 52 -5.095 0.749 -7.408 1.00 1.00 C ATOM 781 CD1 PHE A 52 -5.444 -0.453 -8.034 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.010 0.785 -6.519 1.00 1.00 C ATOM 783 CE1 PHE A 52 -4.709 -1.616 -7.778 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.275 -0.379 -6.264 1.00 1.00 C ATOM 785 CZ PHE A 52 -3.628 -1.579 -6.890 1.00 1.00 C ATOM 0 H PHE A 52 -3.705 3.232 -8.295 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.779 1.795 -9.825 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.677 2.757 -6.925 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.958 1.792 -7.630 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.281 -0.483 -8.715 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.742 1.711 -6.031 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -4.976 -2.542 -8.266 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.436 -0.350 -5.584 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.065 -2.478 -6.688 1.00 1.00 H new ATOM 795 N GLY A 53 -5.629 4.922 -9.512 1.00 1.00 N ATOM 796 CA GLY A 53 -6.289 6.189 -9.804 1.00 1.00 C ATOM 797 C GLY A 53 -7.237 6.585 -8.680 1.00 1.00 C ATOM 798 O GLY A 53 -8.390 6.937 -8.927 1.00 1.00 O ATOM 0 H GLY A 53 -4.613 4.976 -9.443 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.540 6.969 -9.944 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.843 6.107 -10.739 1.00 1.00 H new ATOM 802 N ILE A 54 -6.748 6.524 -7.445 1.00 1.00 N ATOM 803 CA ILE A 54 -7.560 6.881 -6.280 1.00 1.00 C ATOM 804 C ILE A 54 -6.879 7.982 -5.479 1.00 1.00 C ATOM 805 O ILE A 54 -5.680 8.219 -5.631 1.00 1.00 O ATOM 806 CB ILE A 54 -7.771 5.653 -5.392 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.412 5.106 -4.933 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.514 4.574 -6.186 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.622 4.020 -3.878 1.00 1.00 C ATOM 0 H ILE A 54 -5.796 6.232 -7.223 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.527 7.243 -6.628 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.359 5.935 -4.518 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -5.867 4.698 -5.785 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.805 5.913 -4.522 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.666 3.698 -5.556 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.481 4.961 -6.509 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -7.925 4.295 -7.060 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.655 3.635 -3.555 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.149 4.441 -3.022 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.212 3.208 -4.304 1.00 1.00 H new ATOM 821 N ASN A 55 -7.647 8.649 -4.625 1.00 1.00 N ATOM 822 CA ASN A 55 -7.112 9.729 -3.795 1.00 1.00 C ATOM 823 C ASN A 55 -7.284 9.400 -2.321 1.00 1.00 C ATOM 824 O ASN A 55 -8.407 9.303 -1.823 1.00 1.00 O ATOM 825 CB ASN A 55 -7.839 11.035 -4.112 1.00 1.00 C ATOM 826 CG ASN A 55 -9.343 10.848 -3.955 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.902 11.160 -2.903 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.037 10.352 -4.943 1.00 1.00 N ATOM 0 H ASN A 55 -8.641 8.464 -4.487 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.050 9.840 -4.012 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.491 11.825 -3.446 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.608 11.351 -5.129 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -11.044 10.222 -4.844 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.572 10.094 -5.814 1.00 1.00 H new ATOM 835 N VAL A 56 -6.164 9.227 -1.622 1.00 1.00 N ATOM 836 CA VAL A 56 -6.195 8.908 -0.194 1.00 1.00 C ATOM 837 C VAL A 56 -5.311 9.877 0.587 1.00 1.00 C ATOM 838 O VAL A 56 -4.157 10.109 0.228 1.00 1.00 O ATOM 839 CB VAL A 56 -5.705 7.475 0.031 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.531 7.222 1.534 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.734 6.496 -0.535 1.00 1.00 C ATOM 0 H VAL A 56 -5.227 9.302 -2.018 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.222 9.001 0.160 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.749 7.333 -0.472 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.182 6.202 1.693 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -4.801 7.923 1.939 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -6.487 7.362 2.040 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.389 5.474 -0.377 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -7.689 6.639 -0.029 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -6.858 6.676 -1.603 1.00 1.00 H new ATOM 851 N ASP A 57 -5.860 10.428 1.663 1.00 1.00 N ATOM 852 CA ASP A 57 -5.113 11.360 2.502 1.00 1.00 C ATOM 853 C ASP A 57 -4.275 10.600 3.524 1.00 1.00 C ATOM 854 O ASP A 57 -4.701 9.570 4.047 1.00 1.00 O ATOM 855 CB ASP A 57 -6.077 12.302 3.225 1.00 1.00 C ATOM 856 CG ASP A 57 -6.670 13.301 2.237 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.114 13.444 1.161 1.00 1.00 O ATOM 858 OD2 ASP A 57 -7.674 13.909 2.572 1.00 1.00 O ATOM 0 H ASP A 57 -6.814 10.248 1.975 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.449 11.944 1.865 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -6.874 11.728 3.697 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -5.553 12.832 4.020 1.00 1.00 H new ATOM 863 N GLU A 58 -3.083 11.115 3.803 1.00 1.00 N ATOM 864 CA GLU A 58 -2.192 10.477 4.766 1.00 1.00 C ATOM 865 C GLU A 58 -2.855 10.399 6.138 1.00 1.00 C ATOM 866 O GLU A 58 -2.559 9.508 6.933 1.00 1.00 O ATOM 867 CB GLU A 58 -0.887 11.267 4.872 1.00 1.00 C ATOM 868 CG GLU A 58 -0.111 11.150 3.559 1.00 1.00 C ATOM 869 CD GLU A 58 1.152 12.002 3.622 1.00 1.00 C ATOM 870 OE1 GLU A 58 1.362 12.640 4.640 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.891 12.002 2.651 1.00 1.00 O ATOM 0 H GLU A 58 -2.713 11.966 3.380 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.977 9.466 4.421 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -1.100 12.314 5.089 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.285 10.887 5.697 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.152 10.108 3.374 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.737 11.473 2.727 1.00 1.00 H new ATOM 878 N ASP A 59 -3.754 11.341 6.408 1.00 1.00 N ATOM 879 CA ASP A 59 -4.453 11.371 7.687 1.00 1.00 C ATOM 880 C ASP A 59 -5.317 10.126 7.856 1.00 1.00 C ATOM 881 O ASP A 59 -5.405 9.563 8.947 1.00 1.00 O ATOM 882 CB ASP A 59 -5.336 12.617 7.771 1.00 1.00 C ATOM 883 CG ASP A 59 -6.064 12.651 9.111 1.00 1.00 C ATOM 884 OD1 ASP A 59 -5.392 12.720 10.127 1.00 1.00 O ATOM 885 OD2 ASP A 59 -7.283 12.606 9.101 1.00 1.00 O ATOM 0 H ASP A 59 -4.014 12.088 5.764 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.709 11.396 8.483 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -4.726 13.513 7.656 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -6.059 12.616 6.955 1.00 1.00 H new ATOM 890 N LYS A 60 -5.957 9.701 6.770 1.00 1.00 N ATOM 891 CA LYS A 60 -6.816 8.522 6.815 1.00 1.00 C ATOM 892 C LYS A 60 -5.994 7.251 6.651 1.00 1.00 C ATOM 893 O LYS A 60 -6.483 6.149 6.901 1.00 1.00 O ATOM 894 CB LYS A 60 -7.862 8.596 5.706 1.00 1.00 C ATOM 895 CG LYS A 60 -8.833 9.747 5.990 1.00 1.00 C ATOM 896 CD LYS A 60 -10.048 9.635 5.067 1.00 1.00 C ATOM 897 CE LYS A 60 -9.627 9.889 3.618 1.00 1.00 C ATOM 898 NZ LYS A 60 -10.837 10.086 2.776 1.00 1.00 N ATOM 0 H LYS A 60 -5.898 10.151 5.856 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.313 8.498 7.785 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.375 8.747 4.743 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.407 7.654 5.643 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.152 9.718 7.032 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.334 10.704 5.836 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.494 8.644 5.157 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.810 10.355 5.365 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.986 10.769 3.563 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -9.045 9.047 3.245 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -10.550 10.259 1.791 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.432 9.234 2.819 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.376 10.903 3.128 1.00 1.00 H new ATOM 912 N ALA A 61 -4.744 7.411 6.228 1.00 1.00 N ATOM 913 CA ALA A 61 -3.862 6.266 6.035 1.00 1.00 C ATOM 914 C ALA A 61 -3.141 5.917 7.334 1.00 1.00 C ATOM 915 O ALA A 61 -2.247 5.075 7.352 1.00 1.00 O ATOM 916 CB ALA A 61 -2.832 6.572 4.948 1.00 1.00 C ATOM 0 H ALA A 61 -4.322 8.315 6.014 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.471 5.415 5.729 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.179 5.710 4.813 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.345 6.789 4.011 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.236 7.436 5.244 1.00 1.00 H new ATOM 922 N GLN A 62 -3.528 6.580 8.417 1.00 1.00 N ATOM 923 CA GLN A 62 -2.906 6.337 9.716 1.00 1.00 C ATOM 924 C GLN A 62 -3.293 4.963 10.255 1.00 1.00 C ATOM 925 O GLN A 62 -2.458 4.243 10.802 1.00 1.00 O ATOM 926 CB GLN A 62 -3.339 7.416 10.710 1.00 1.00 C ATOM 927 CG GLN A 62 -2.822 8.780 10.247 1.00 1.00 C ATOM 928 CD GLN A 62 -1.299 8.807 10.295 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.705 8.477 11.321 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.629 9.179 9.239 1.00 1.00 N ATOM 0 H GLN A 62 -4.264 7.286 8.424 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.824 6.369 9.588 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.426 7.436 10.789 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.951 7.187 11.702 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -3.165 8.982 9.232 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.228 9.566 10.883 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.125 9.452 8.390 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.391 9.197 9.262 1.00 1.00 H new ATOM 939 N ASP A 63 -4.563 4.611 10.099 1.00 1.00 N ATOM 940 CA ASP A 63 -5.055 3.324 10.577 1.00 1.00 C ATOM 941 C ASP A 63 -4.351 2.180 9.858 1.00 1.00 C ATOM 942 O ASP A 63 -4.646 1.009 10.096 1.00 1.00 O ATOM 943 CB ASP A 63 -6.564 3.223 10.352 1.00 1.00 C ATOM 944 CG ASP A 63 -7.127 2.033 11.122 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.481 1.601 12.063 1.00 1.00 O ATOM 946 OD2 ASP A 63 -8.196 1.570 10.759 1.00 1.00 O ATOM 0 H ASP A 63 -5.268 5.194 9.648 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.844 3.250 11.644 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.051 4.142 10.679 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.775 3.111 9.288 1.00 1.00 H new ATOM 951 N ILE A 64 -3.421 2.525 8.970 1.00 1.00 N ATOM 952 CA ILE A 64 -2.681 1.519 8.216 1.00 1.00 C ATOM 953 C ILE A 64 -1.489 1.022 9.014 1.00 1.00 C ATOM 954 O ILE A 64 -0.705 1.815 9.537 1.00 1.00 O ATOM 955 CB ILE A 64 -2.199 2.109 6.890 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.400 2.671 6.125 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.526 1.023 6.056 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.456 1.578 5.886 1.00 1.00 C ATOM 0 H ILE A 64 -3.164 3.489 8.757 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.347 0.679 8.019 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.481 2.905 7.085 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.842 3.494 6.687 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.070 3.079 5.170 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.184 1.448 5.112 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.673 0.621 6.603 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.239 0.223 5.856 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.300 2.001 5.341 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.016 0.768 5.303 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.801 1.190 6.844 1.00 1.00 H new ATOM 970 N SER A 65 -1.357 -0.299 9.107 1.00 1.00 N ATOM 971 CA SER A 65 -0.252 -0.906 9.849 1.00 1.00 C ATOM 972 C SER A 65 0.444 -1.961 9.003 1.00 1.00 C ATOM 973 O SER A 65 1.666 -2.099 9.053 1.00 1.00 O ATOM 974 CB SER A 65 -0.779 -1.544 11.133 1.00 1.00 C ATOM 975 OG SER A 65 0.315 -2.058 11.881 1.00 1.00 O ATOM 0 H SER A 65 -1.998 -0.968 8.680 1.00 1.00 H new ATOM 0 HA SER A 65 0.468 -0.126 10.099 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.324 -0.807 11.723 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.480 -2.344 10.895 1.00 1.00 H new ATOM 0 HG SER A 65 -0.017 -2.467 12.707 1.00 1.00 H new ATOM 981 N THR A 66 -0.338 -2.709 8.223 1.00 1.00 N ATOM 982 CA THR A 66 0.218 -3.758 7.366 1.00 1.00 C ATOM 983 C THR A 66 -0.308 -3.616 5.944 1.00 1.00 C ATOM 984 O THR A 66 -1.128 -2.747 5.659 1.00 1.00 O ATOM 985 CB THR A 66 -0.155 -5.134 7.918 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.530 -5.385 7.669 1.00 1.00 O ATOM 987 CG2 THR A 66 0.107 -5.170 9.424 1.00 1.00 C ATOM 0 H THR A 66 -1.352 -2.609 8.167 1.00 1.00 H new ATOM 0 HA THR A 66 1.303 -3.657 7.352 1.00 1.00 H new ATOM 0 HB THR A 66 0.449 -5.898 7.428 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.648 -6.318 7.394 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.159 -6.151 9.816 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.163 -4.977 9.614 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.496 -4.407 9.916 1.00 1.00 H new ATOM 995 N ILE A 67 0.169 -4.479 5.056 1.00 1.00 N ATOM 996 CA ILE A 67 -0.256 -4.436 3.662 1.00 1.00 C ATOM 997 C ILE A 67 -1.760 -4.631 3.555 1.00 1.00 C ATOM 998 O ILE A 67 -2.433 -3.914 2.816 1.00 1.00 O ATOM 999 CB ILE A 67 0.457 -5.531 2.864 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.975 -5.384 3.027 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.079 -5.434 1.392 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.436 -3.995 2.551 1.00 1.00 C ATOM 0 H ILE A 67 0.845 -5.212 5.273 1.00 1.00 H new ATOM 0 HA ILE A 67 0.004 -3.459 3.254 1.00 1.00 H new ATOM 0 HB ILE A 67 0.150 -6.506 3.242 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.250 -5.527 4.072 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.485 -6.159 2.455 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.591 -6.217 0.833 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.999 -5.557 1.284 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.374 -4.459 1.004 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.516 -3.908 2.674 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.179 -3.867 1.500 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.940 -3.225 3.142 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.284 -5.597 4.291 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.714 -5.869 4.258 1.00 1.00 C ATOM 1016 C GLN A 68 -4.507 -4.610 4.608 1.00 1.00 C ATOM 1017 O GLN A 68 -5.509 -4.299 3.964 1.00 1.00 O ATOM 1018 CB GLN A 68 -4.051 -7.000 5.258 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.346 -8.296 4.504 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.697 -8.184 3.805 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.747 -8.139 2.503 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.735 -8.120 4.464 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.748 -6.202 4.914 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.989 -6.182 3.251 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.217 -7.151 5.943 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.913 -6.717 5.862 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.562 -8.490 3.772 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.352 -9.138 5.196 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.695 -8.155 5.483 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.635 -8.032 3.991 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.058 -3.903 5.635 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.745 -2.695 6.062 1.00 1.00 C ATOM 1033 C GLN A 69 -4.859 -1.714 4.901 1.00 1.00 C ATOM 1034 O GLN A 69 -5.920 -1.134 4.668 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.980 -2.044 7.213 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.820 -3.042 8.358 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.185 -3.430 8.906 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.018 -2.565 9.177 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.464 -4.688 9.085 1.00 1.00 N ATOM 0 H GLN A 69 -3.231 -4.142 6.182 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.747 -2.961 6.399 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.001 -1.711 6.869 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.513 -1.159 7.561 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.295 -3.930 8.006 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.212 -2.605 9.150 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.771 -5.401 8.859 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.376 -4.961 9.451 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.762 -1.538 4.170 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.756 -0.632 3.028 1.00 1.00 C ATOM 1050 C ALA A 70 -4.672 -1.158 1.924 1.00 1.00 C ATOM 1051 O ALA A 70 -5.387 -0.392 1.278 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.331 -0.484 2.487 1.00 1.00 C ATOM 0 H ALA A 70 -2.873 -2.007 4.346 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.122 0.341 3.355 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.334 0.194 1.634 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.685 -0.082 3.268 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.958 -1.459 2.174 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.642 -2.471 1.714 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.472 -3.093 0.688 1.00 1.00 C ATOM 1060 C ALA A 71 -6.950 -2.966 1.040 1.00 1.00 C ATOM 1061 O ALA A 71 -7.796 -2.787 0.163 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.103 -4.570 0.537 1.00 1.00 C ATOM 0 H ALA A 71 -4.056 -3.121 2.237 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.292 -2.578 -0.256 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.728 -5.025 -0.231 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.055 -4.656 0.249 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.262 -5.084 1.485 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.254 -3.064 2.330 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.635 -2.963 2.792 1.00 1.00 C ATOM 1070 C ASP A 72 -9.214 -1.595 2.450 1.00 1.00 C ATOM 1071 O ASP A 72 -10.375 -1.478 2.061 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.695 -3.183 4.304 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.448 -4.653 4.630 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -8.529 -5.464 3.722 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.181 -4.946 5.784 1.00 1.00 O ATOM 0 H ASP A 72 -6.568 -3.212 3.070 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.225 -3.730 2.290 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.949 -2.562 4.800 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.669 -2.876 4.686 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.401 -0.558 2.603 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.842 0.796 2.298 1.00 1.00 C ATOM 1082 C VAL A 73 -8.870 1.030 0.790 1.00 1.00 C ATOM 1083 O VAL A 73 -9.828 1.585 0.255 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.909 1.810 2.954 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.367 3.228 2.606 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.945 1.623 4.472 1.00 1.00 C ATOM 0 H VAL A 73 -7.439 -0.628 2.934 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.851 0.922 2.691 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.893 1.658 2.590 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.700 3.951 3.075 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.345 3.362 1.525 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.383 3.382 2.970 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.279 2.346 4.944 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.962 1.776 4.833 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.619 0.613 4.722 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.804 0.612 0.114 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.711 0.793 -1.330 1.00 1.00 C ATOM 1098 C ILE A 74 -8.808 0.019 -2.054 1.00 1.00 C ATOM 1099 O ILE A 74 -9.539 0.581 -2.866 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.342 0.318 -1.830 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.253 1.256 -1.304 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.319 0.317 -3.364 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -3.876 0.642 -1.570 1.00 1.00 C ATOM 0 H ILE A 74 -7.000 0.150 0.538 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.835 1.855 -1.544 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.159 -0.694 -1.468 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.329 2.228 -1.791 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.388 1.423 -0.235 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.343 -0.021 -3.713 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.092 -0.354 -3.739 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.506 1.326 -3.731 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.101 1.311 -1.195 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.802 -0.320 -1.062 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.743 0.497 -2.642 1.00 1.00 H new ATOM 1115 N GLU A 75 -8.911 -1.270 -1.755 1.00 1.00 N ATOM 1116 CA GLU A 75 -9.912 -2.113 -2.396 1.00 1.00 C ATOM 1117 C GLU A 75 -11.309 -1.542 -2.190 1.00 1.00 C ATOM 1118 O GLU A 75 -12.168 -1.652 -3.062 1.00 1.00 O ATOM 1119 CB GLU A 75 -9.837 -3.532 -1.817 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.415 -3.543 -0.391 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.931 -3.732 -0.425 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.484 -3.763 -1.512 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.516 -3.838 0.640 1.00 1.00 O ATOM 0 H GLU A 75 -8.319 -1.751 -1.078 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.708 -2.145 -3.466 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.393 -4.223 -2.450 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -8.802 -3.875 -1.803 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -9.956 -4.345 0.187 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.171 -2.608 0.113 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.529 -0.936 -1.030 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.829 -0.359 -0.721 1.00 1.00 C ATOM 1132 C GLY A 76 -13.191 0.738 -1.719 1.00 1.00 C ATOM 1133 O GLY A 76 -14.337 0.839 -2.156 1.00 1.00 O ATOM 0 H GLY A 76 -10.830 -0.832 -0.294 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.591 -1.138 -0.740 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.818 0.052 0.289 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.207 1.556 -2.071 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.430 2.644 -3.016 1.00 1.00 C ATOM 1139 C LEU A 77 -12.769 2.096 -4.396 1.00 1.00 C ATOM 1140 O LEU A 77 -13.632 2.629 -5.090 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.180 3.520 -3.101 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.974 4.242 -1.763 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.560 4.819 -1.711 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.998 5.383 -1.602 1.00 1.00 C ATOM 0 H LEU A 77 -11.252 1.488 -1.719 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.270 3.243 -2.664 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.309 2.908 -3.335 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.285 4.246 -3.907 1.00 1.00 H new ATOM 0 HG LEU A 77 -11.114 3.527 -0.952 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.411 5.333 -0.761 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.834 4.011 -1.805 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.425 5.525 -2.530 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.837 5.884 -0.647 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.874 6.100 -2.414 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -13.007 4.973 -1.631 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.081 1.034 -4.786 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.309 0.425 -6.090 1.00 1.00 C ATOM 1158 C LEU A 78 -13.744 -0.073 -6.198 1.00 1.00 C ATOM 1159 O LEU A 78 -14.373 0.047 -7.249 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.333 -0.744 -6.303 1.00 1.00 C ATOM 1161 CG LEU A 78 -9.968 -0.222 -6.785 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -9.188 0.351 -5.603 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.176 -1.374 -7.411 1.00 1.00 C ATOM 0 H LEU A 78 -11.364 0.577 -4.223 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.139 1.177 -6.860 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.210 -1.297 -5.372 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -11.743 -1.439 -7.035 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.122 0.562 -7.527 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.222 0.719 -5.949 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -9.751 1.171 -5.159 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.033 -0.429 -4.857 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.209 -1.007 -7.753 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -9.025 -2.157 -6.668 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.730 -1.779 -8.258 1.00 1.00 H new