USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 45 MET CE :methyl -159:sc= -2.59 (180deg=-1.33) USER MOD Set 1.2: A 50 GLN :FLIP amide:sc= -2.58 F(o=-8.8!,f=-5.2) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.76) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 16 GLN :FLIP amide:sc= -3.02! C(o=-5!,f=-3!) USER MOD Single : A 17 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0152) USER MOD Single : A 18 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.719 USER MOD Single : A 37 SER OG : rot -23:sc= 0.81 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -147:sc= -1.75 (180deg=-4.89!) USER MOD Single : A 51 ASN : amide:sc= -0.646 X(o=-0.65,f=-0.17) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0658 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.685 F(o=-1.8!,f=-0.69) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -83:sc= 0.378 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 165:sc= -3.38! (180deg=-3.98!) USER MOD Single : A 84 SER OG : rot 105:sc= 0.00956 USER MOD Single : A 85 MET CE :methyl -149:sc= -2.26 (180deg=-6.25!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 65.725 17.697 2.291 1.00 4.98 N ATOM 2 CA ALA A 2 64.642 16.692 2.497 1.00 4.92 C ATOM 3 C ALA A 2 65.245 15.301 2.707 1.00 4.09 C ATOM 4 O ALA A 2 64.996 14.649 3.702 1.00 4.52 O ATOM 5 CB ALA A 2 63.816 16.729 1.212 1.00 5.75 C ATOM 0 HA ALA A 2 64.037 16.912 3.376 1.00 4.92 H new ATOM 0 HB1 ALA A 2 62.996 16.014 1.286 1.00 5.75 H new ATOM 0 HB2 ALA A 2 63.412 17.731 1.068 1.00 5.75 H new ATOM 0 HB3 ALA A 2 64.450 16.468 0.364 1.00 5.75 H new ATOM 13 N ASP A 3 66.037 14.841 1.776 1.00 3.31 N ATOM 14 CA ASP A 3 66.655 13.492 1.922 1.00 2.98 C ATOM 15 C ASP A 3 68.179 13.613 1.998 1.00 2.31 C ATOM 16 O ASP A 3 68.850 12.762 2.545 1.00 2.93 O ATOM 17 CB ASP A 3 66.239 12.728 0.663 1.00 3.17 C ATOM 18 CG ASP A 3 65.778 11.321 1.050 1.00 3.95 C ATOM 19 OD1 ASP A 3 65.049 11.203 2.020 1.00 4.60 O ATOM 20 OD2 ASP A 3 66.163 10.385 0.368 1.00 4.32 O ATOM 0 H ASP A 3 66.282 15.341 0.921 1.00 3.31 H new ATOM 0 HA ASP A 3 66.332 12.986 2.832 1.00 2.98 H new ATOM 0 HB2 ASP A 3 65.435 13.258 0.152 1.00 3.17 H new ATOM 0 HB3 ASP A 3 67.076 12.670 -0.033 1.00 3.17 H new ATOM 25 N ILE A 4 68.728 14.667 1.454 1.00 1.43 N ATOM 26 CA ILE A 4 70.210 14.849 1.493 1.00 1.28 C ATOM 27 C ILE A 4 70.908 13.739 0.701 1.00 1.13 C ATOM 28 O ILE A 4 71.513 13.982 -0.323 1.00 1.61 O ATOM 29 CB ILE A 4 70.585 14.769 2.973 1.00 1.66 C ATOM 30 CG1 ILE A 4 69.616 15.625 3.792 1.00 2.36 C ATOM 31 CG2 ILE A 4 72.011 15.289 3.167 1.00 1.86 C ATOM 32 CD1 ILE A 4 70.005 15.563 5.270 1.00 2.80 C ATOM 0 H ILE A 4 68.213 15.411 0.983 1.00 1.43 H new ATOM 0 HA ILE A 4 70.516 15.795 1.046 1.00 1.28 H new ATOM 0 HB ILE A 4 70.527 13.733 3.306 1.00 1.66 H new ATOM 0 HG12 ILE A 4 69.640 16.657 3.442 1.00 2.36 H new ATOM 0 HG13 ILE A 4 68.595 15.267 3.658 1.00 2.36 H new ATOM 0 HG21 ILE A 4 72.279 15.232 4.222 1.00 1.86 H new ATOM 0 HG22 ILE A 4 72.703 14.681 2.584 1.00 1.86 H new ATOM 0 HG23 ILE A 4 72.069 16.325 2.833 1.00 1.86 H new ATOM 0 HD11 ILE A 4 69.315 16.173 5.854 1.00 2.80 H new ATOM 0 HD12 ILE A 4 69.958 14.530 5.616 1.00 2.80 H new ATOM 0 HD13 ILE A 4 71.019 15.942 5.395 1.00 2.80 H new ATOM 44 N TYR A 5 70.829 12.522 1.167 1.00 0.88 N ATOM 45 CA TYR A 5 71.489 11.401 0.438 1.00 0.86 C ATOM 46 C TYR A 5 70.946 11.307 -0.989 1.00 0.78 C ATOM 47 O TYR A 5 71.537 10.687 -1.850 1.00 0.79 O ATOM 48 CB TYR A 5 71.130 10.146 1.233 1.00 1.02 C ATOM 49 CG TYR A 5 71.442 10.369 2.694 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.769 10.346 3.137 1.00 1.94 C ATOM 51 CD2 TYR A 5 70.403 10.600 3.604 1.00 1.64 C ATOM 52 CE1 TYR A 5 73.058 10.554 4.492 1.00 2.20 C ATOM 53 CE2 TYR A 5 70.692 10.807 4.957 1.00 1.80 C ATOM 54 CZ TYR A 5 72.019 10.784 5.401 1.00 1.77 C ATOM 55 OH TYR A 5 72.304 10.989 6.735 1.00 2.07 O ATOM 0 H TYR A 5 70.337 12.256 2.020 1.00 0.88 H new ATOM 0 HA TYR A 5 72.567 11.538 0.358 1.00 0.86 H new ATOM 0 HB2 TYR A 5 70.073 9.913 1.107 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.692 9.291 0.857 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.570 10.168 2.435 1.00 1.94 H new ATOM 0 HD2 TYR A 5 69.379 10.618 3.261 1.00 1.64 H new ATOM 0 HE1 TYR A 5 74.082 10.537 4.835 1.00 2.20 H new ATOM 0 HE2 TYR A 5 69.891 10.985 5.659 1.00 1.80 H new ATOM 0 HH TYR A 5 71.470 11.135 7.229 1.00 2.07 H new ATOM 65 N LYS A 6 69.821 11.918 -1.246 1.00 0.89 N ATOM 66 CA LYS A 6 69.241 11.860 -2.619 1.00 1.01 C ATOM 67 C LYS A 6 70.213 12.471 -3.632 1.00 0.98 C ATOM 68 O LYS A 6 70.379 11.967 -4.726 1.00 1.00 O ATOM 69 CB LYS A 6 67.951 12.678 -2.546 1.00 1.28 C ATOM 70 CG LYS A 6 68.242 14.067 -1.970 1.00 1.60 C ATOM 71 CD LYS A 6 68.388 15.074 -3.112 1.00 2.04 C ATOM 72 CE LYS A 6 67.764 16.409 -2.699 1.00 2.60 C ATOM 73 NZ LYS A 6 66.461 16.464 -3.419 1.00 3.24 N ATOM 0 H LYS A 6 69.280 12.453 -0.567 1.00 0.89 H new ATOM 0 HA LYS A 6 69.051 10.836 -2.942 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.514 12.772 -3.540 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.219 12.163 -1.923 1.00 1.28 H new ATOM 0 HG2 LYS A 6 67.435 14.372 -1.303 1.00 1.60 H new ATOM 0 HG3 LYS A 6 69.155 14.041 -1.375 1.00 1.60 H new ATOM 0 HD2 LYS A 6 69.441 15.213 -3.356 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.900 14.695 -4.010 1.00 2.04 H new ATOM 0 HE2 LYS A 6 67.621 16.461 -1.620 1.00 2.60 H new ATOM 0 HE3 LYS A 6 68.404 17.247 -2.976 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 65.973 17.352 -3.186 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 66.629 16.420 -4.444 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 65.870 15.658 -3.130 1.00 3.24 H new ATOM 87 N ALA A 7 70.861 13.549 -3.280 1.00 1.07 N ATOM 88 CA ALA A 7 71.822 14.176 -4.230 1.00 1.20 C ATOM 89 C ALA A 7 72.785 13.115 -4.761 1.00 1.08 C ATOM 90 O ALA A 7 73.278 13.203 -5.869 1.00 1.19 O ATOM 91 CB ALA A 7 72.574 15.220 -3.403 1.00 1.36 C ATOM 0 H ALA A 7 70.767 14.020 -2.380 1.00 1.07 H new ATOM 0 HA ALA A 7 71.328 14.625 -5.092 1.00 1.20 H new ATOM 0 HB1 ALA A 7 73.303 15.728 -4.034 1.00 1.36 H new ATOM 0 HB2 ALA A 7 71.867 15.949 -3.007 1.00 1.36 H new ATOM 0 HB3 ALA A 7 73.088 14.728 -2.577 1.00 1.36 H new ATOM 97 N ALA A 8 73.047 12.104 -3.979 1.00 0.95 N ATOM 98 CA ALA A 8 73.969 11.026 -4.435 1.00 0.96 C ATOM 99 C ALA A 8 73.210 10.040 -5.325 1.00 0.90 C ATOM 100 O ALA A 8 73.601 9.766 -6.443 1.00 1.01 O ATOM 101 CB ALA A 8 74.444 10.339 -3.155 1.00 0.98 C ATOM 0 H ALA A 8 72.662 11.978 -3.043 1.00 0.95 H new ATOM 0 HA ALA A 8 74.805 11.411 -5.019 1.00 0.96 H new ATOM 0 HB1 ALA A 8 75.129 9.530 -3.409 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.956 11.063 -2.522 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.586 9.933 -2.620 1.00 0.98 H new ATOM 107 N VAL A 9 72.123 9.508 -4.837 1.00 0.83 N ATOM 108 CA VAL A 9 71.333 8.544 -5.652 1.00 0.82 C ATOM 109 C VAL A 9 70.863 9.216 -6.944 1.00 0.97 C ATOM 110 O VAL A 9 70.618 8.567 -7.942 1.00 1.02 O ATOM 111 CB VAL A 9 70.137 8.174 -4.776 1.00 0.84 C ATOM 112 CG1 VAL A 9 69.189 7.268 -5.562 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.631 7.437 -3.529 1.00 0.70 C ATOM 0 H VAL A 9 71.748 9.700 -3.908 1.00 0.83 H new ATOM 0 HA VAL A 9 71.914 7.667 -5.939 1.00 0.82 H new ATOM 0 HB VAL A 9 69.608 9.080 -4.479 1.00 0.84 H new ATOM 0 HG11 VAL A 9 68.336 7.004 -4.937 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.839 7.792 -6.451 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.715 6.361 -5.859 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.780 7.172 -2.902 1.00 0.70 H new ATOM 0 HG22 VAL A 9 71.159 6.531 -3.827 1.00 0.70 H new ATOM 0 HG23 VAL A 9 71.307 8.083 -2.969 1.00 0.70 H new ATOM 123 N GLU A 10 70.738 10.514 -6.933 1.00 1.12 N ATOM 124 CA GLU A 10 70.289 11.231 -8.160 1.00 1.32 C ATOM 125 C GLU A 10 71.386 11.182 -9.225 1.00 1.37 C ATOM 126 O GLU A 10 71.118 11.221 -10.410 1.00 1.56 O ATOM 127 CB GLU A 10 70.042 12.670 -7.710 1.00 1.51 C ATOM 128 CG GLU A 10 68.546 12.881 -7.467 1.00 1.80 C ATOM 129 CD GLU A 10 67.815 12.944 -8.809 1.00 2.02 C ATOM 130 OE1 GLU A 10 67.666 11.903 -9.429 1.00 2.61 O ATOM 131 OE2 GLU A 10 67.419 14.031 -9.195 1.00 2.28 O ATOM 0 H GLU A 10 70.927 11.110 -6.127 1.00 1.12 H new ATOM 0 HA GLU A 10 69.397 10.785 -8.599 1.00 1.32 H new ATOM 0 HB2 GLU A 10 70.602 12.878 -6.798 1.00 1.51 H new ATOM 0 HB3 GLU A 10 70.399 13.366 -8.469 1.00 1.51 H new ATOM 0 HG2 GLU A 10 68.147 12.067 -6.861 1.00 1.80 H new ATOM 0 HG3 GLU A 10 68.384 13.803 -6.909 1.00 1.80 H new ATOM 138 N GLN A 11 72.620 11.096 -8.810 1.00 1.29 N ATOM 139 CA GLN A 11 73.738 11.043 -9.795 1.00 1.45 C ATOM 140 C GLN A 11 74.100 9.588 -10.105 1.00 1.35 C ATOM 141 O GLN A 11 75.019 9.312 -10.850 1.00 1.53 O ATOM 142 CB GLN A 11 74.905 11.752 -9.105 1.00 1.61 C ATOM 143 CG GLN A 11 75.000 13.193 -9.614 1.00 2.13 C ATOM 144 CD GLN A 11 74.475 14.150 -8.542 1.00 2.44 C ATOM 145 OE1 GLN A 11 75.085 14.313 -7.504 1.00 2.96 O ATOM 146 NE2 GLN A 11 73.360 14.796 -8.751 1.00 2.71 N ATOM 0 H GLN A 11 72.903 11.060 -7.831 1.00 1.29 H new ATOM 0 HA GLN A 11 73.478 11.514 -10.743 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.761 11.745 -8.025 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.836 11.222 -9.306 1.00 1.61 H new ATOM 0 HG2 GLN A 11 76.034 13.436 -9.858 1.00 2.13 H new ATOM 0 HG3 GLN A 11 74.421 13.305 -10.531 1.00 2.13 H new ATOM 0 HE21 GLN A 11 72.847 14.660 -9.622 1.00 2.71 H new ATOM 0 HE22 GLN A 11 73.002 15.437 -8.043 1.00 2.71 H new ATOM 155 N LEU A 12 73.385 8.654 -9.538 1.00 1.18 N ATOM 156 CA LEU A 12 73.690 7.217 -9.800 1.00 1.21 C ATOM 157 C LEU A 12 73.621 6.926 -11.301 1.00 1.11 C ATOM 158 O LEU A 12 73.102 7.708 -12.072 1.00 1.25 O ATOM 159 CB LEU A 12 72.605 6.437 -9.057 1.00 1.32 C ATOM 160 CG LEU A 12 73.148 5.946 -7.715 1.00 1.38 C ATOM 161 CD1 LEU A 12 72.114 5.039 -7.048 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.440 5.158 -7.944 1.00 1.68 C ATOM 0 H LEU A 12 72.603 8.823 -8.905 1.00 1.18 H new ATOM 0 HA LEU A 12 74.691 6.943 -9.467 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.733 7.071 -8.897 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.277 5.590 -9.659 1.00 1.32 H new ATOM 0 HG LEU A 12 73.352 6.802 -7.072 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.501 4.689 -6.091 1.00 1.49 H new ATOM 0 HD12 LEU A 12 71.192 5.597 -6.884 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.911 4.184 -7.692 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.827 4.808 -6.987 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.235 4.302 -8.587 1.00 1.68 H new ATOM 0 HD23 LEU A 12 75.179 5.802 -8.421 1.00 1.68 H new ATOM 174 N THR A 13 74.139 5.804 -11.719 1.00 1.05 N ATOM 175 CA THR A 13 74.100 5.459 -13.168 1.00 1.13 C ATOM 176 C THR A 13 72.896 4.561 -13.462 1.00 0.94 C ATOM 177 O THR A 13 72.497 3.755 -12.645 1.00 0.87 O ATOM 178 CB THR A 13 75.406 4.709 -13.431 1.00 1.38 C ATOM 179 OG1 THR A 13 75.803 4.028 -12.248 1.00 1.89 O ATOM 180 CG2 THR A 13 76.494 5.702 -13.841 1.00 1.68 C ATOM 0 H THR A 13 74.588 5.111 -11.120 1.00 1.05 H new ATOM 0 HA THR A 13 74.002 6.340 -13.802 1.00 1.13 H new ATOM 0 HB THR A 13 75.257 3.988 -14.234 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.639 3.545 -12.414 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.424 5.166 -14.028 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.187 6.224 -14.747 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.647 6.425 -13.040 1.00 1.68 H new ATOM 188 N GLU A 14 72.315 4.691 -14.622 1.00 0.94 N ATOM 189 CA GLU A 14 71.138 3.844 -14.964 1.00 0.90 C ATOM 190 C GLU A 14 71.460 2.368 -14.715 1.00 0.82 C ATOM 191 O GLU A 14 70.578 1.545 -14.571 1.00 0.82 O ATOM 192 CB GLU A 14 70.886 4.096 -16.451 1.00 1.05 C ATOM 193 CG GLU A 14 69.391 4.318 -16.684 1.00 2.10 C ATOM 194 CD GLU A 14 69.176 4.948 -18.061 1.00 2.64 C ATOM 195 OE1 GLU A 14 69.827 5.940 -18.345 1.00 3.31 O ATOM 196 OE2 GLU A 14 68.364 4.427 -18.807 1.00 2.91 O ATOM 0 H GLU A 14 72.604 5.347 -15.348 1.00 0.94 H new ATOM 0 HA GLU A 14 70.265 4.085 -14.358 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.450 4.967 -16.784 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.234 3.247 -17.039 1.00 1.05 H new ATOM 0 HG2 GLU A 14 68.858 3.370 -16.619 1.00 2.10 H new ATOM 0 HG3 GLU A 14 68.984 4.967 -15.908 1.00 2.10 H new ATOM 203 N GLU A 15 72.719 2.026 -14.666 1.00 0.92 N ATOM 204 CA GLU A 15 73.098 0.603 -14.428 1.00 1.01 C ATOM 205 C GLU A 15 72.801 0.209 -12.978 1.00 0.90 C ATOM 206 O GLU A 15 72.476 -0.925 -12.687 1.00 0.89 O ATOM 207 CB GLU A 15 74.600 0.543 -14.704 1.00 1.23 C ATOM 208 CG GLU A 15 74.839 -0.009 -16.111 1.00 1.92 C ATOM 209 CD GLU A 15 75.118 -1.510 -16.029 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.253 -1.869 -15.764 1.00 2.80 O ATOM 211 OE2 GLU A 15 74.190 -2.276 -16.233 1.00 2.90 O ATOM 0 H GLU A 15 73.502 2.670 -14.780 1.00 0.92 H new ATOM 0 HA GLU A 15 72.539 -0.085 -15.062 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.037 1.537 -14.613 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.091 -0.090 -13.965 1.00 1.23 H new ATOM 0 HG2 GLU A 15 73.967 0.176 -16.739 1.00 1.92 H new ATOM 0 HG3 GLU A 15 75.681 0.503 -16.576 1.00 1.92 H new ATOM 218 N GLN A 16 72.911 1.137 -12.065 1.00 0.89 N ATOM 219 CA GLN A 16 72.634 0.810 -10.636 1.00 0.87 C ATOM 220 C GLN A 16 71.136 0.926 -10.347 1.00 0.68 C ATOM 221 O GLN A 16 70.552 0.080 -9.700 1.00 0.67 O ATOM 222 CB GLN A 16 73.418 1.848 -9.832 1.00 0.97 C ATOM 223 CG GLN A 16 74.902 1.476 -9.827 1.00 1.77 C ATOM 224 CD GLN A 16 75.576 2.076 -8.592 1.00 2.15 C ATOM 225 OE1 GLN A 16 76.148 3.246 -8.680 1.00 2.42 O flip ATOM 226 NE2 GLN A 16 75.582 1.475 -7.535 1.00 2.61 N flip ATOM 0 H GLN A 16 73.180 2.104 -12.246 1.00 0.89 H new ATOM 0 HA GLN A 16 72.928 -0.208 -10.382 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.282 2.838 -10.266 1.00 0.97 H new ATOM 0 HB3 GLN A 16 73.040 1.893 -8.811 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.016 0.392 -9.826 1.00 1.77 H new ATOM 0 HG3 GLN A 16 75.383 1.846 -10.732 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.135 0.561 -7.466 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.034 1.885 -6.718 1.00 2.61 H new ATOM 235 N LYS A 17 70.509 1.966 -10.825 1.00 0.63 N ATOM 236 CA LYS A 17 69.048 2.131 -10.576 1.00 0.62 C ATOM 237 C LYS A 17 68.271 0.970 -11.203 1.00 0.60 C ATOM 238 O LYS A 17 67.231 0.572 -10.717 1.00 0.66 O ATOM 239 CB LYS A 17 68.679 3.452 -11.251 1.00 0.74 C ATOM 240 CG LYS A 17 69.486 4.587 -10.620 1.00 1.21 C ATOM 241 CD LYS A 17 68.559 5.764 -10.314 1.00 1.31 C ATOM 242 CE LYS A 17 69.242 7.069 -10.727 1.00 1.43 C ATOM 243 NZ LYS A 17 69.048 7.152 -12.202 1.00 2.06 N ATOM 0 H LYS A 17 70.943 2.707 -11.376 1.00 0.63 H new ATOM 0 HA LYS A 17 68.807 2.136 -9.513 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.883 3.396 -12.320 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.612 3.644 -11.140 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.966 4.241 -9.705 1.00 1.21 H new ATOM 0 HG3 LYS A 17 70.280 4.902 -11.297 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.617 5.648 -10.850 1.00 1.31 H new ATOM 0 HD3 LYS A 17 68.320 5.786 -9.251 1.00 1.31 H new ATOM 0 HE2 LYS A 17 68.797 7.926 -10.221 1.00 1.43 H new ATOM 0 HE3 LYS A 17 70.301 7.060 -10.467 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 69.922 7.496 -12.648 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.816 6.209 -12.575 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 68.270 7.809 -12.413 1.00 2.06 H new ATOM 257 N ASN A 18 68.769 0.423 -12.279 1.00 0.70 N ATOM 258 CA ASN A 18 68.059 -0.713 -12.933 1.00 0.85 C ATOM 259 C ASN A 18 68.118 -1.953 -12.038 1.00 0.70 C ATOM 260 O ASN A 18 67.131 -2.632 -11.835 1.00 0.66 O ATOM 261 CB ASN A 18 68.815 -0.955 -14.239 1.00 1.11 C ATOM 262 CG ASN A 18 68.328 0.031 -15.302 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.345 0.717 -15.105 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.979 0.133 -16.429 1.00 2.13 N ATOM 0 H ASN A 18 69.635 0.713 -12.733 1.00 0.70 H new ATOM 0 HA ASN A 18 67.005 -0.497 -13.109 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.886 -0.834 -14.079 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.657 -1.979 -14.578 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.662 0.788 -17.143 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.804 -0.443 -16.595 1.00 2.13 H new ATOM 271 N GLU A 19 69.269 -2.252 -11.499 1.00 0.76 N ATOM 272 CA GLU A 19 69.391 -3.445 -10.614 1.00 0.79 C ATOM 273 C GLU A 19 68.642 -3.202 -9.299 1.00 0.65 C ATOM 274 O GLU A 19 67.986 -4.080 -8.776 1.00 0.66 O ATOM 275 CB GLU A 19 70.890 -3.599 -10.359 1.00 0.98 C ATOM 276 CG GLU A 19 71.376 -4.924 -10.952 1.00 1.21 C ATOM 277 CD GLU A 19 72.648 -4.683 -11.768 1.00 1.82 C ATOM 278 OE1 GLU A 19 72.905 -3.540 -12.107 1.00 2.44 O ATOM 279 OE2 GLU A 19 73.345 -5.647 -12.039 1.00 2.53 O ATOM 0 H GLU A 19 70.130 -1.722 -11.633 1.00 0.76 H new ATOM 0 HA GLU A 19 68.963 -4.341 -11.064 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.433 -2.767 -10.807 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.092 -3.572 -9.288 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.573 -5.641 -10.155 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.602 -5.357 -11.585 1.00 1.21 H new ATOM 286 N PHE A 20 68.731 -2.013 -8.767 1.00 0.67 N ATOM 287 CA PHE A 20 68.021 -1.712 -7.492 1.00 0.75 C ATOM 288 C PHE A 20 66.508 -1.707 -7.728 1.00 0.66 C ATOM 289 O PHE A 20 65.778 -2.489 -7.154 1.00 0.79 O ATOM 290 CB PHE A 20 68.508 -0.319 -7.083 1.00 0.97 C ATOM 291 CG PHE A 20 70.012 -0.325 -6.927 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.690 -1.524 -6.668 1.00 2.35 C ATOM 293 CD2 PHE A 20 70.729 0.872 -7.039 1.00 2.24 C ATOM 294 CE1 PHE A 20 72.084 -1.523 -6.522 1.00 3.36 C ATOM 295 CE2 PHE A 20 72.122 0.872 -6.893 1.00 3.29 C ATOM 296 CZ PHE A 20 72.798 -0.326 -6.635 1.00 3.69 C ATOM 0 H PHE A 20 69.265 -1.238 -9.160 1.00 0.67 H new ATOM 0 HA PHE A 20 68.223 -2.453 -6.718 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.215 0.414 -7.835 1.00 0.97 H new ATOM 0 HB3 PHE A 20 68.038 -0.020 -6.146 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.138 -2.448 -6.581 1.00 2.35 H new ATOM 0 HD2 PHE A 20 70.208 1.797 -7.238 1.00 2.24 H new ATOM 0 HE1 PHE A 20 72.607 -2.447 -6.322 1.00 3.36 H new ATOM 0 HE2 PHE A 20 72.674 1.796 -6.979 1.00 3.29 H new ATOM 0 HZ PHE A 20 73.872 -0.326 -6.523 1.00 3.69 H new ATOM 306 N LYS A 21 66.033 -0.833 -8.574 1.00 0.60 N ATOM 307 CA LYS A 21 64.570 -0.788 -8.849 1.00 0.65 C ATOM 308 C LYS A 21 64.054 -2.198 -9.139 1.00 0.57 C ATOM 309 O LYS A 21 63.048 -2.626 -8.609 1.00 0.57 O ATOM 310 CB LYS A 21 64.426 0.099 -10.086 1.00 0.78 C ATOM 311 CG LYS A 21 64.574 1.568 -9.684 1.00 1.27 C ATOM 312 CD LYS A 21 64.929 2.399 -10.918 1.00 1.58 C ATOM 313 CE LYS A 21 65.117 3.862 -10.509 1.00 2.42 C ATOM 314 NZ LYS A 21 64.982 4.635 -11.776 1.00 2.88 N ATOM 0 H LYS A 21 66.594 -0.151 -9.085 1.00 0.60 H new ATOM 0 HA LYS A 21 63.999 -0.402 -8.005 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.183 -0.164 -10.825 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.455 -0.065 -10.552 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.646 1.931 -9.242 1.00 1.27 H new ATOM 0 HG3 LYS A 21 65.350 1.673 -8.926 1.00 1.27 H new ATOM 0 HD2 LYS A 21 65.842 2.018 -11.376 1.00 1.58 H new ATOM 0 HD3 LYS A 21 64.139 2.317 -11.665 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.368 4.167 -9.778 1.00 2.42 H new ATOM 0 HE3 LYS A 21 66.093 4.022 -10.051 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 65.099 5.649 -11.578 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 65.712 4.327 -12.450 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 64.041 4.468 -12.186 1.00 2.88 H new ATOM 328 N ALA A 22 64.740 -2.923 -9.979 1.00 0.59 N ATOM 329 CA ALA A 22 64.300 -4.308 -10.305 1.00 0.62 C ATOM 330 C ALA A 22 64.172 -5.131 -9.022 1.00 0.50 C ATOM 331 O ALA A 22 63.145 -5.722 -8.752 1.00 0.50 O ATOM 332 CB ALA A 22 65.403 -4.875 -11.199 1.00 0.76 C ATOM 0 H ALA A 22 65.588 -2.615 -10.455 1.00 0.59 H new ATOM 0 HA ALA A 22 63.328 -4.330 -10.798 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.152 -5.897 -11.483 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.496 -4.262 -12.095 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.349 -4.871 -10.657 1.00 0.76 H new ATOM 338 N ALA A 23 65.204 -5.172 -8.225 1.00 0.50 N ATOM 339 CA ALA A 23 65.132 -5.956 -6.958 1.00 0.53 C ATOM 340 C ALA A 23 63.845 -5.609 -6.207 1.00 0.46 C ATOM 341 O ALA A 23 63.085 -6.476 -5.822 1.00 0.52 O ATOM 342 CB ALA A 23 66.359 -5.527 -6.153 1.00 0.64 C ATOM 0 H ALA A 23 66.091 -4.699 -8.395 1.00 0.50 H new ATOM 0 HA ALA A 23 65.122 -7.032 -7.133 1.00 0.53 H new ATOM 0 HB1 ALA A 23 66.377 -6.062 -5.204 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.263 -5.758 -6.717 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.313 -4.454 -5.964 1.00 0.64 H new ATOM 348 N PHE A 24 63.592 -4.345 -6.002 1.00 0.47 N ATOM 349 CA PHE A 24 62.351 -3.939 -5.283 1.00 0.57 C ATOM 350 C PHE A 24 61.141 -4.649 -5.894 1.00 0.48 C ATOM 351 O PHE A 24 60.294 -5.170 -5.195 1.00 0.51 O ATOM 352 CB PHE A 24 62.250 -2.429 -5.495 1.00 0.77 C ATOM 353 CG PHE A 24 61.143 -1.866 -4.635 1.00 0.90 C ATOM 354 CD1 PHE A 24 59.805 -2.097 -4.976 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.457 -1.111 -3.500 1.00 1.54 C ATOM 356 CE1 PHE A 24 58.779 -1.571 -4.179 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.433 -0.585 -2.703 1.00 1.62 C ATOM 358 CZ PHE A 24 59.094 -0.815 -3.043 1.00 1.25 C ATOM 0 H PHE A 24 64.191 -3.576 -6.301 1.00 0.47 H new ATOM 0 HA PHE A 24 62.376 -4.200 -4.225 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.197 -1.953 -5.243 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.054 -2.212 -6.545 1.00 0.77 H new ATOM 0 HD1 PHE A 24 59.564 -2.680 -5.852 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.490 -0.934 -3.238 1.00 1.54 H new ATOM 0 HE1 PHE A 24 57.746 -1.749 -4.441 1.00 1.72 H new ATOM 0 HE2 PHE A 24 60.676 -0.002 -1.827 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.304 -0.409 -2.429 1.00 1.25 H new ATOM 368 N ASP A 25 61.056 -4.674 -7.195 1.00 0.45 N ATOM 369 CA ASP A 25 59.902 -5.350 -7.857 1.00 0.53 C ATOM 370 C ASP A 25 60.026 -6.871 -7.720 1.00 0.52 C ATOM 371 O ASP A 25 59.105 -7.606 -8.014 1.00 0.60 O ATOM 372 CB ASP A 25 59.989 -4.935 -9.325 1.00 0.66 C ATOM 373 CG ASP A 25 58.710 -5.353 -10.050 1.00 0.98 C ATOM 374 OD1 ASP A 25 57.738 -4.620 -9.967 1.00 1.52 O ATOM 375 OD2 ASP A 25 58.722 -6.399 -10.678 1.00 1.55 O ATOM 0 H ASP A 25 61.736 -4.256 -7.830 1.00 0.45 H new ATOM 0 HA ASP A 25 58.949 -5.069 -7.409 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.127 -3.856 -9.401 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.855 -5.401 -9.795 1.00 0.66 H new ATOM 380 N ILE A 26 61.159 -7.348 -7.279 1.00 0.50 N ATOM 381 CA ILE A 26 61.340 -8.821 -7.128 1.00 0.63 C ATOM 382 C ILE A 26 61.527 -9.188 -5.653 1.00 0.70 C ATOM 383 O ILE A 26 61.533 -10.347 -5.288 1.00 0.94 O ATOM 384 CB ILE A 26 62.604 -9.149 -7.924 1.00 0.68 C ATOM 385 CG1 ILE A 26 62.498 -8.538 -9.323 1.00 0.72 C ATOM 386 CG2 ILE A 26 62.756 -10.667 -8.044 1.00 0.94 C ATOM 387 CD1 ILE A 26 63.866 -8.580 -10.004 1.00 0.69 C ATOM 0 H ILE A 26 61.966 -6.782 -7.017 1.00 0.50 H new ATOM 0 HA ILE A 26 60.474 -9.379 -7.485 1.00 0.63 H new ATOM 0 HB ILE A 26 63.472 -8.737 -7.409 1.00 0.68 H new ATOM 0 HG12 ILE A 26 61.768 -9.088 -9.917 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.145 -7.509 -9.256 1.00 0.72 H new ATOM 0 HG21 ILE A 26 63.657 -10.899 -8.612 1.00 0.94 H new ATOM 0 HG22 ILE A 26 62.831 -11.105 -7.049 1.00 0.94 H new ATOM 0 HG23 ILE A 26 61.888 -11.080 -8.557 1.00 0.94 H new ATOM 0 HD11 ILE A 26 63.790 -8.145 -11.000 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.584 -8.011 -9.413 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.201 -9.614 -10.084 1.00 0.69 H new ATOM 399 N PHE A 27 61.682 -8.210 -4.802 1.00 0.61 N ATOM 400 CA PHE A 27 61.871 -8.509 -3.353 1.00 0.79 C ATOM 401 C PHE A 27 60.639 -8.080 -2.554 1.00 0.76 C ATOM 402 O PHE A 27 60.554 -8.296 -1.362 1.00 1.03 O ATOM 403 CB PHE A 27 63.095 -7.693 -2.936 1.00 0.91 C ATOM 404 CG PHE A 27 64.348 -8.467 -3.265 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.601 -9.690 -2.633 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.256 -7.962 -4.204 1.00 2.07 C ATOM 407 CE1 PHE A 27 65.763 -10.409 -2.939 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.418 -8.681 -4.511 1.00 2.83 C ATOM 409 CZ PHE A 27 66.671 -9.905 -3.878 1.00 3.21 C ATOM 0 H PHE A 27 61.686 -7.220 -5.046 1.00 0.61 H new ATOM 0 HA PHE A 27 62.009 -9.574 -3.168 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.100 -6.734 -3.454 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.056 -7.479 -1.868 1.00 0.91 H new ATOM 0 HD1 PHE A 27 63.900 -10.079 -1.909 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.060 -7.018 -4.691 1.00 2.07 H new ATOM 0 HE1 PHE A 27 65.959 -11.352 -2.451 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.119 -8.292 -5.235 1.00 2.83 H new ATOM 0 HZ PHE A 27 67.567 -10.460 -4.114 1.00 3.21 H new ATOM 419 N VAL A 28 59.679 -7.475 -3.201 1.00 0.63 N ATOM 420 CA VAL A 28 58.455 -7.036 -2.478 1.00 0.65 C ATOM 421 C VAL A 28 57.348 -8.081 -2.652 1.00 0.65 C ATOM 422 O VAL A 28 56.319 -8.023 -2.010 1.00 0.74 O ATOM 423 CB VAL A 28 58.084 -5.697 -3.127 1.00 0.68 C ATOM 424 CG1 VAL A 28 56.565 -5.502 -3.132 1.00 1.10 C ATOM 425 CG2 VAL A 28 58.734 -4.569 -2.329 1.00 1.47 C ATOM 0 H VAL A 28 59.691 -7.267 -4.199 1.00 0.63 H new ATOM 0 HA VAL A 28 58.604 -6.927 -1.404 1.00 0.65 H new ATOM 0 HB VAL A 28 58.439 -5.689 -4.158 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.322 -4.546 -3.597 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.096 -6.309 -3.696 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.194 -5.512 -2.107 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.478 -3.610 -2.780 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.372 -4.595 -1.301 1.00 1.47 H new ATOM 0 HG23 VAL A 28 59.817 -4.696 -2.335 1.00 1.47 H new ATOM 435 N LEU A 29 57.557 -9.040 -3.508 1.00 0.92 N ATOM 436 CA LEU A 29 56.523 -10.092 -3.715 1.00 0.99 C ATOM 437 C LEU A 29 56.086 -10.667 -2.368 1.00 0.99 C ATOM 438 O LEU A 29 54.958 -11.084 -2.194 1.00 1.10 O ATOM 439 CB LEU A 29 57.225 -11.163 -4.541 1.00 1.43 C ATOM 440 CG LEU A 29 57.021 -10.877 -6.030 1.00 1.74 C ATOM 441 CD1 LEU A 29 55.553 -11.103 -6.397 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.401 -9.424 -6.324 1.00 2.45 C ATOM 0 H LEU A 29 58.399 -9.142 -4.074 1.00 0.92 H new ATOM 0 HA LEU A 29 55.629 -9.709 -4.207 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.289 -11.179 -4.306 1.00 1.43 H new ATOM 0 HB3 LEU A 29 56.829 -12.147 -4.292 1.00 1.43 H new ATOM 0 HG LEU A 29 57.649 -11.545 -6.619 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.408 -10.899 -7.458 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.280 -12.137 -6.185 1.00 2.11 H new ATOM 0 HD13 LEU A 29 54.924 -10.434 -5.810 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.257 -9.218 -7.384 1.00 2.45 H new ATOM 0 HD22 LEU A 29 56.771 -8.757 -5.735 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.446 -9.261 -6.062 1.00 2.45 H new ATOM 454 N GLY A 30 56.974 -10.689 -1.413 1.00 1.16 N ATOM 455 CA GLY A 30 56.617 -11.233 -0.073 1.00 1.58 C ATOM 456 C GLY A 30 56.539 -10.083 0.931 1.00 1.39 C ATOM 457 O GLY A 30 56.374 -10.289 2.117 1.00 1.89 O ATOM 0 H GLY A 30 57.933 -10.353 -1.503 1.00 1.16 H new ATOM 0 HA2 GLY A 30 55.661 -11.755 -0.122 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.362 -11.962 0.247 1.00 1.58 H new ATOM 461 N ALA A 31 56.659 -8.872 0.462 1.00 0.90 N ATOM 462 CA ALA A 31 56.593 -7.703 1.385 1.00 0.95 C ATOM 463 C ALA A 31 55.303 -7.751 2.209 1.00 1.15 C ATOM 464 O ALA A 31 54.620 -8.756 2.254 1.00 1.41 O ATOM 465 CB ALA A 31 56.600 -6.476 0.472 1.00 0.97 C ATOM 0 H ALA A 31 56.800 -8.641 -0.521 1.00 0.90 H new ATOM 0 HA ALA A 31 57.422 -7.689 2.093 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.553 -5.571 1.078 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.515 -6.469 -0.121 1.00 0.97 H new ATOM 0 HB3 ALA A 31 55.737 -6.512 -0.193 1.00 0.97 H new ATOM 471 N GLU A 32 54.965 -6.672 2.860 1.00 1.35 N ATOM 472 CA GLU A 32 53.718 -6.654 3.680 1.00 1.90 C ATOM 473 C GLU A 32 52.634 -5.839 2.970 1.00 2.05 C ATOM 474 O GLU A 32 51.457 -6.115 3.087 1.00 2.79 O ATOM 475 CB GLU A 32 54.119 -5.981 4.992 1.00 2.37 C ATOM 476 CG GLU A 32 54.947 -6.954 5.833 1.00 2.44 C ATOM 477 CD GLU A 32 56.321 -7.140 5.188 1.00 2.83 C ATOM 478 OE1 GLU A 32 57.033 -6.157 5.062 1.00 3.29 O ATOM 479 OE2 GLU A 32 56.640 -8.262 4.830 1.00 3.24 O ATOM 0 H GLU A 32 55.497 -5.802 2.860 1.00 1.35 H new ATOM 0 HA GLU A 32 53.313 -7.653 3.841 1.00 1.90 H new ATOM 0 HB2 GLU A 32 54.695 -5.078 4.789 1.00 2.37 H new ATOM 0 HB3 GLU A 32 53.230 -5.674 5.542 1.00 2.37 H new ATOM 0 HG2 GLU A 32 55.058 -6.572 6.848 1.00 2.44 H new ATOM 0 HG3 GLU A 32 54.435 -7.914 5.908 1.00 2.44 H new ATOM 486 N ASP A 33 53.027 -4.838 2.233 1.00 1.80 N ATOM 487 CA ASP A 33 52.026 -4.002 1.512 1.00 2.11 C ATOM 488 C ASP A 33 52.655 -3.390 0.256 1.00 1.47 C ATOM 489 O ASP A 33 52.017 -3.261 -0.770 1.00 1.80 O ATOM 490 CB ASP A 33 51.635 -2.908 2.505 1.00 3.12 C ATOM 491 CG ASP A 33 50.361 -3.322 3.245 1.00 3.68 C ATOM 492 OD1 ASP A 33 49.408 -3.692 2.580 1.00 4.12 O ATOM 493 OD2 ASP A 33 50.359 -3.261 4.463 1.00 4.09 O ATOM 0 H ASP A 33 54.000 -4.562 2.098 1.00 1.80 H new ATOM 0 HA ASP A 33 51.163 -4.581 1.184 1.00 2.11 H new ATOM 0 HB2 ASP A 33 52.444 -2.742 3.217 1.00 3.12 H new ATOM 0 HB3 ASP A 33 51.474 -1.966 1.980 1.00 3.12 H new ATOM 498 N GLY A 34 53.904 -3.014 0.330 1.00 1.10 N ATOM 499 CA GLY A 34 54.575 -2.415 -0.857 1.00 1.40 C ATOM 500 C GLY A 34 55.900 -1.786 -0.424 1.00 1.17 C ATOM 501 O GLY A 34 56.192 -0.650 -0.744 1.00 1.39 O ATOM 0 H GLY A 34 54.488 -3.096 1.162 1.00 1.10 H new ATOM 0 HA2 GLY A 34 54.752 -3.180 -1.613 1.00 1.40 H new ATOM 0 HA3 GLY A 34 53.932 -1.661 -1.311 1.00 1.40 H new ATOM 505 N SER A 35 56.705 -2.514 0.301 1.00 0.84 N ATOM 506 CA SER A 35 58.010 -1.956 0.755 1.00 0.70 C ATOM 507 C SER A 35 59.011 -3.085 0.995 1.00 0.67 C ATOM 508 O SER A 35 58.848 -4.186 0.508 1.00 0.80 O ATOM 509 CB SER A 35 57.698 -1.228 2.062 1.00 0.75 C ATOM 510 OG SER A 35 56.385 -0.689 1.995 1.00 1.04 O ATOM 0 H SER A 35 56.515 -3.471 0.598 1.00 0.84 H new ATOM 0 HA SER A 35 58.454 -1.290 0.015 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.779 -1.916 2.904 1.00 0.75 H new ATOM 0 HB3 SER A 35 58.423 -0.431 2.230 1.00 0.75 H new ATOM 0 HG SER A 35 56.180 -0.222 2.832 1.00 1.04 H new ATOM 516 N ILE A 36 60.048 -2.823 1.740 1.00 0.69 N ATOM 517 CA ILE A 36 61.060 -3.886 2.006 1.00 0.78 C ATOM 518 C ILE A 36 61.726 -3.632 3.361 1.00 0.71 C ATOM 519 O ILE A 36 62.544 -2.746 3.505 1.00 0.98 O ATOM 520 CB ILE A 36 62.091 -3.787 0.866 1.00 1.00 C ATOM 521 CG1 ILE A 36 61.477 -3.106 -0.365 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.542 -5.192 0.471 1.00 1.36 C ATOM 523 CD1 ILE A 36 62.493 -3.103 -1.509 1.00 1.22 C ATOM 0 H ILE A 36 60.240 -1.921 2.176 1.00 0.69 H new ATOM 0 HA ILE A 36 60.612 -4.879 2.041 1.00 0.78 H new ATOM 0 HB ILE A 36 62.937 -3.196 1.216 1.00 1.00 H new ATOM 0 HG12 ILE A 36 60.572 -3.631 -0.670 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.186 -2.084 -0.121 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.272 -5.126 -0.336 1.00 1.36 H new ATOM 0 HG22 ILE A 36 62.995 -5.684 1.332 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.681 -5.770 0.135 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.056 -2.619 -2.383 1.00 1.22 H new ATOM 0 HD12 ILE A 36 63.386 -2.559 -1.201 1.00 1.22 H new ATOM 0 HD13 ILE A 36 62.762 -4.129 -1.759 1.00 1.22 H new ATOM 535 N SER A 37 61.372 -4.397 4.357 1.00 0.87 N ATOM 536 CA SER A 37 61.975 -4.192 5.707 1.00 0.87 C ATOM 537 C SER A 37 63.374 -4.812 5.766 1.00 0.76 C ATOM 538 O SER A 37 63.667 -5.774 5.084 1.00 0.87 O ATOM 539 CB SER A 37 61.031 -4.904 6.674 1.00 1.12 C ATOM 540 OG SER A 37 60.868 -4.108 7.841 1.00 1.52 O ATOM 0 H SER A 37 60.692 -5.155 4.296 1.00 0.87 H new ATOM 0 HA SER A 37 62.089 -3.136 5.951 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.065 -5.075 6.198 1.00 1.12 H new ATOM 0 HB3 SER A 37 61.433 -5.882 6.940 1.00 1.12 H new ATOM 0 HG SER A 37 61.635 -3.505 7.935 1.00 1.52 H new ATOM 546 N THR A 38 64.238 -4.265 6.577 1.00 0.71 N ATOM 547 CA THR A 38 65.620 -4.819 6.685 1.00 0.65 C ATOM 548 C THR A 38 65.587 -6.349 6.690 1.00 0.70 C ATOM 549 O THR A 38 66.483 -6.999 6.190 1.00 1.37 O ATOM 550 CB THR A 38 66.173 -4.288 8.010 1.00 0.76 C ATOM 551 OG1 THR A 38 67.244 -5.119 8.438 1.00 1.55 O ATOM 552 CG2 THR A 38 65.072 -4.291 9.069 1.00 1.00 C ATOM 0 H THR A 38 64.047 -3.458 7.170 1.00 0.71 H new ATOM 0 HA THR A 38 66.241 -4.520 5.841 1.00 0.65 H new ATOM 0 HB THR A 38 66.532 -3.268 7.869 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.602 -4.781 9.286 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.471 -3.912 10.010 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.250 -3.655 8.741 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.708 -5.308 9.213 1.00 1.00 H new ATOM 560 N LYS A 39 64.561 -6.931 7.247 1.00 0.60 N ATOM 561 CA LYS A 39 64.478 -8.420 7.276 1.00 0.66 C ATOM 562 C LYS A 39 64.176 -8.952 5.873 1.00 0.64 C ATOM 563 O LYS A 39 64.625 -10.014 5.490 1.00 0.87 O ATOM 564 CB LYS A 39 63.327 -8.735 8.232 1.00 0.81 C ATOM 565 CG LYS A 39 63.537 -7.982 9.547 1.00 1.42 C ATOM 566 CD LYS A 39 64.958 -8.227 10.057 1.00 1.58 C ATOM 567 CE LYS A 39 65.123 -9.704 10.425 1.00 2.15 C ATOM 568 NZ LYS A 39 65.334 -9.712 11.899 1.00 2.80 N ATOM 0 H LYS A 39 63.778 -6.443 7.682 1.00 0.60 H new ATOM 0 HA LYS A 39 65.410 -8.883 7.600 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.377 -8.446 7.782 1.00 0.81 H new ATOM 0 HB3 LYS A 39 63.278 -9.808 8.418 1.00 0.81 H new ATOM 0 HG2 LYS A 39 63.373 -6.915 9.397 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.811 -8.315 10.289 1.00 1.42 H new ATOM 0 HD2 LYS A 39 65.683 -7.949 9.292 1.00 1.58 H new ATOM 0 HD3 LYS A 39 65.156 -7.601 10.927 1.00 1.58 H new ATOM 0 HE2 LYS A 39 64.240 -10.281 10.149 1.00 2.15 H new ATOM 0 HE3 LYS A 39 65.970 -10.149 9.903 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 65.455 -10.691 12.227 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 66.185 -9.161 12.131 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 64.509 -9.289 12.370 1.00 2.80 H new ATOM 582 N GLU A 40 63.422 -8.216 5.104 1.00 0.63 N ATOM 583 CA GLU A 40 63.093 -8.671 3.723 1.00 0.68 C ATOM 584 C GLU A 40 64.023 -7.975 2.716 1.00 0.66 C ATOM 585 O GLU A 40 64.367 -8.528 1.690 1.00 0.83 O ATOM 586 CB GLU A 40 61.612 -8.278 3.533 1.00 0.86 C ATOM 587 CG GLU A 40 61.407 -7.474 2.242 1.00 1.05 C ATOM 588 CD GLU A 40 61.727 -8.358 1.034 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.096 -9.393 0.900 1.00 2.32 O ATOM 590 OE2 GLU A 40 62.596 -7.984 0.264 1.00 1.92 O ATOM 0 H GLU A 40 63.019 -7.318 5.372 1.00 0.63 H new ATOM 0 HA GLU A 40 63.234 -9.740 3.566 1.00 0.68 H new ATOM 0 HB2 GLU A 40 60.996 -9.177 3.505 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.278 -7.689 4.387 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.379 -7.117 2.183 1.00 1.05 H new ATOM 0 HG3 GLU A 40 62.050 -6.594 2.243 1.00 1.05 H new ATOM 597 N LEU A 41 64.431 -6.770 3.007 1.00 0.73 N ATOM 598 CA LEU A 41 65.337 -6.038 2.074 1.00 0.80 C ATOM 599 C LEU A 41 66.784 -6.509 2.255 1.00 0.72 C ATOM 600 O LEU A 41 67.537 -6.612 1.307 1.00 0.81 O ATOM 601 CB LEU A 41 65.196 -4.566 2.467 1.00 1.10 C ATOM 602 CG LEU A 41 65.986 -3.690 1.491 1.00 1.23 C ATOM 603 CD1 LEU A 41 67.484 -3.843 1.762 1.00 1.94 C ATOM 604 CD2 LEU A 41 65.681 -4.120 0.055 1.00 1.83 C ATOM 0 H LEU A 41 64.176 -6.259 3.852 1.00 0.73 H new ATOM 0 HA LEU A 41 65.081 -6.210 1.029 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.145 -4.277 2.460 1.00 1.10 H new ATOM 0 HB3 LEU A 41 65.561 -4.415 3.483 1.00 1.10 H new ATOM 0 HG LEU A 41 65.698 -2.648 1.627 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.045 -3.219 1.067 1.00 1.94 H new ATOM 0 HD12 LEU A 41 67.702 -3.534 2.784 1.00 1.94 H new ATOM 0 HD13 LEU A 41 67.773 -4.885 1.629 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.244 -3.496 -0.639 1.00 1.83 H new ATOM 0 HD22 LEU A 41 65.967 -5.163 -0.081 1.00 1.83 H new ATOM 0 HD23 LEU A 41 64.614 -4.008 -0.140 1.00 1.83 H new ATOM 616 N GLY A 42 67.180 -6.786 3.468 1.00 0.72 N ATOM 617 CA GLY A 42 68.579 -7.242 3.716 1.00 0.91 C ATOM 618 C GLY A 42 68.996 -8.251 2.645 1.00 0.78 C ATOM 619 O GLY A 42 70.099 -8.211 2.137 1.00 0.84 O ATOM 0 H GLY A 42 66.594 -6.716 4.300 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.256 -6.388 3.706 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.653 -7.696 4.704 1.00 0.91 H new ATOM 623 N LYS A 43 68.126 -9.158 2.298 1.00 0.77 N ATOM 624 CA LYS A 43 68.480 -10.170 1.260 1.00 0.86 C ATOM 625 C LYS A 43 68.917 -9.476 -0.032 1.00 0.79 C ATOM 626 O LYS A 43 69.820 -9.921 -0.712 1.00 0.99 O ATOM 627 CB LYS A 43 67.197 -10.968 1.032 1.00 0.95 C ATOM 628 CG LYS A 43 67.238 -12.249 1.866 1.00 1.34 C ATOM 629 CD LYS A 43 66.888 -11.925 3.319 1.00 2.13 C ATOM 630 CE LYS A 43 66.662 -13.224 4.093 1.00 2.65 C ATOM 631 NZ LYS A 43 65.186 -13.422 4.088 1.00 2.98 N ATOM 0 H LYS A 43 67.187 -9.244 2.686 1.00 0.77 H new ATOM 0 HA LYS A 43 69.308 -10.807 1.572 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.329 -10.369 1.309 1.00 0.95 H new ATOM 0 HB3 LYS A 43 67.091 -11.213 -0.025 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.534 -12.979 1.466 1.00 1.34 H new ATOM 0 HG3 LYS A 43 68.229 -12.699 1.812 1.00 1.34 H new ATOM 0 HD2 LYS A 43 67.693 -11.351 3.778 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.992 -11.305 3.359 1.00 2.13 H new ATOM 0 HE2 LYS A 43 67.174 -14.061 3.618 1.00 2.65 H new ATOM 0 HE3 LYS A 43 67.047 -13.150 5.110 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 64.951 -14.295 4.601 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 64.726 -12.613 4.552 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 64.849 -13.496 3.107 1.00 2.98 H new ATOM 645 N VAL A 44 68.282 -8.389 -0.379 1.00 0.72 N ATOM 646 CA VAL A 44 68.662 -7.673 -1.632 1.00 0.93 C ATOM 647 C VAL A 44 70.063 -7.071 -1.495 1.00 0.89 C ATOM 648 O VAL A 44 70.897 -7.209 -2.366 1.00 1.06 O ATOM 649 CB VAL A 44 67.619 -6.567 -1.790 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.715 -5.972 -3.197 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.221 -7.150 -1.579 1.00 1.80 C ATOM 0 H VAL A 44 67.518 -7.966 0.149 1.00 0.72 H new ATOM 0 HA VAL A 44 68.685 -8.339 -2.495 1.00 0.93 H new ATOM 0 HB VAL A 44 67.803 -5.787 -1.051 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.971 -5.183 -3.310 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.711 -5.556 -3.349 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.531 -6.752 -3.935 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.477 -6.361 -1.692 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.037 -7.930 -2.317 1.00 1.80 H new ATOM 0 HG23 VAL A 44 66.151 -7.574 -0.577 1.00 1.80 H new ATOM 661 N MET A 45 70.327 -6.400 -0.407 1.00 0.86 N ATOM 662 CA MET A 45 71.673 -5.786 -0.218 1.00 1.06 C ATOM 663 C MET A 45 72.777 -6.778 -0.597 1.00 1.08 C ATOM 664 O MET A 45 73.691 -6.454 -1.329 1.00 1.14 O ATOM 665 CB MET A 45 71.747 -5.449 1.270 1.00 1.34 C ATOM 666 CG MET A 45 71.370 -3.981 1.483 1.00 1.88 C ATOM 667 SD MET A 45 72.660 -3.159 2.451 1.00 2.45 S ATOM 668 CE MET A 45 73.778 -2.790 1.077 1.00 3.35 C ATOM 0 H MET A 45 69.670 -6.250 0.359 1.00 0.86 H new ATOM 0 HA MET A 45 71.813 -4.907 -0.847 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.072 -6.094 1.833 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.753 -5.635 1.646 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.249 -3.483 0.521 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.413 -3.912 2.000 1.00 1.88 H new ATOM 0 HE1 MET A 45 74.785 -2.625 1.461 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.788 -3.629 0.381 1.00 3.35 H new ATOM 0 HE3 MET A 45 73.436 -1.893 0.560 1.00 3.35 H new ATOM 678 N ARG A 46 72.705 -7.981 -0.097 1.00 1.20 N ATOM 679 CA ARG A 46 73.757 -8.988 -0.422 1.00 1.46 C ATOM 680 C ARG A 46 73.728 -9.337 -1.913 1.00 1.52 C ATOM 681 O ARG A 46 74.714 -9.774 -2.473 1.00 1.73 O ATOM 682 CB ARG A 46 73.406 -10.215 0.420 1.00 1.74 C ATOM 683 CG ARG A 46 74.583 -11.193 0.414 1.00 1.93 C ATOM 684 CD ARG A 46 74.341 -12.288 1.455 1.00 2.48 C ATOM 685 NE ARG A 46 75.686 -12.871 1.719 1.00 2.64 N ATOM 686 CZ ARG A 46 75.887 -14.149 1.550 1.00 3.08 C ATOM 687 NH1 ARG A 46 75.584 -14.989 2.501 1.00 3.41 N ATOM 688 NH2 ARG A 46 76.389 -14.586 0.428 1.00 3.64 N ATOM 0 H ARG A 46 71.964 -8.311 0.522 1.00 1.20 H new ATOM 0 HA ARG A 46 74.758 -8.615 -0.207 1.00 1.46 H new ATOM 0 HB2 ARG A 46 73.175 -9.914 1.442 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.515 -10.700 0.021 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.697 -11.636 -0.576 1.00 1.93 H new ATOM 0 HG3 ARG A 46 75.510 -10.664 0.635 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.903 -11.878 2.365 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.650 -13.043 1.081 1.00 2.48 H new ATOM 0 HE ARG A 46 76.450 -12.271 2.032 1.00 2.64 H new ATOM 0 HH11 ARG A 46 75.190 -14.647 3.377 1.00 3.41 H new ATOM 0 HH12 ARG A 46 75.741 -15.988 2.368 1.00 3.41 H new ATOM 0 HH21 ARG A 46 76.624 -13.929 -0.316 1.00 3.64 H new ATOM 0 HH22 ARG A 46 76.547 -15.585 0.295 1.00 3.64 H new ATOM 702 N MET A 47 72.610 -9.154 -2.561 1.00 1.46 N ATOM 703 CA MET A 47 72.535 -9.487 -4.013 1.00 1.73 C ATOM 704 C MET A 47 73.187 -8.377 -4.849 1.00 1.75 C ATOM 705 O MET A 47 73.425 -8.534 -6.029 1.00 2.01 O ATOM 706 CB MET A 47 71.033 -9.621 -4.319 1.00 1.70 C ATOM 707 CG MET A 47 70.444 -8.277 -4.765 1.00 1.96 C ATOM 708 SD MET A 47 70.334 -8.240 -6.572 1.00 1.94 S ATOM 709 CE MET A 47 68.772 -9.140 -6.726 1.00 1.52 C ATOM 0 H MET A 47 71.750 -8.790 -2.151 1.00 1.46 H new ATOM 0 HA MET A 47 73.070 -10.404 -4.258 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.882 -10.366 -5.100 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.507 -9.977 -3.433 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.456 -8.137 -4.326 1.00 1.96 H new ATOM 0 HG3 MET A 47 71.069 -7.458 -4.411 1.00 1.96 H new ATOM 0 HE1 MET A 47 68.782 -9.731 -7.642 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.647 -9.801 -5.868 1.00 1.52 H new ATOM 0 HE3 MET A 47 67.945 -8.431 -6.761 1.00 1.52 H new ATOM 719 N LEU A 48 73.476 -7.257 -4.244 1.00 1.60 N ATOM 720 CA LEU A 48 74.110 -6.141 -5.003 1.00 1.69 C ATOM 721 C LEU A 48 75.636 -6.235 -4.907 1.00 1.68 C ATOM 722 O LEU A 48 76.354 -5.632 -5.680 1.00 1.99 O ATOM 723 CB LEU A 48 73.609 -4.864 -4.327 1.00 1.73 C ATOM 724 CG LEU A 48 72.082 -4.822 -4.386 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.586 -3.473 -3.861 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.624 -5.001 -5.835 1.00 2.15 C ATOM 0 H LEU A 48 73.301 -7.066 -3.257 1.00 1.60 H new ATOM 0 HA LEU A 48 73.856 -6.167 -6.063 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.945 -4.833 -3.290 1.00 1.73 H new ATOM 0 HB3 LEU A 48 74.027 -3.989 -4.824 1.00 1.73 H new ATOM 0 HG LEU A 48 71.674 -5.624 -3.771 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.497 -3.444 -3.904 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.912 -3.342 -2.829 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.995 -2.671 -4.476 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.535 -4.971 -5.879 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.034 -4.198 -6.448 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.976 -5.961 -6.212 1.00 2.15 H new ATOM 738 N GLY A 49 76.136 -6.985 -3.964 1.00 1.63 N ATOM 739 CA GLY A 49 77.614 -7.116 -3.822 1.00 1.87 C ATOM 740 C GLY A 49 78.044 -6.595 -2.450 1.00 1.54 C ATOM 741 O GLY A 49 79.218 -6.466 -2.164 1.00 1.53 O ATOM 0 H GLY A 49 75.586 -7.512 -3.286 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.910 -8.159 -3.936 1.00 1.87 H new ATOM 0 HA3 GLY A 49 78.117 -6.555 -4.610 1.00 1.87 H new ATOM 745 N GLN A 50 77.104 -6.293 -1.597 1.00 1.37 N ATOM 746 CA GLN A 50 77.463 -5.779 -0.243 1.00 1.17 C ATOM 747 C GLN A 50 77.347 -6.899 0.796 1.00 1.24 C ATOM 748 O GLN A 50 76.476 -7.743 0.719 1.00 1.75 O ATOM 749 CB GLN A 50 76.445 -4.675 0.046 1.00 1.29 C ATOM 750 CG GLN A 50 76.441 -3.666 -1.105 1.00 1.28 C ATOM 751 CD GLN A 50 76.426 -2.246 -0.537 1.00 1.41 C ATOM 752 OE1 GLN A 50 75.368 -1.499 -0.706 1.00 1.89 O flip ATOM 753 NE2 GLN A 50 77.386 -1.811 0.068 1.00 1.85 N flip ATOM 0 H GLN A 50 76.104 -6.379 -1.778 1.00 1.37 H new ATOM 0 HA GLN A 50 78.488 -5.410 -0.201 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.451 -5.106 0.169 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.693 -4.174 0.982 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.321 -3.809 -1.732 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.569 -3.825 -1.739 1.00 1.28 H new ATOM 0 HE21 GLN A 50 78.212 -2.394 0.200 1.00 1.85 H new ATOM 0 HE22 GLN A 50 77.365 -0.863 0.444 1.00 1.85 H new ATOM 762 N ASN A 51 78.217 -6.911 1.769 1.00 1.18 N ATOM 763 CA ASN A 51 78.154 -7.976 2.812 1.00 1.29 C ATOM 764 C ASN A 51 77.992 -7.348 4.199 1.00 1.07 C ATOM 765 O ASN A 51 78.807 -7.560 5.076 1.00 1.45 O ATOM 766 CB ASN A 51 79.488 -8.715 2.708 1.00 1.96 C ATOM 767 CG ASN A 51 79.442 -9.975 3.574 1.00 2.61 C ATOM 768 OD1 ASN A 51 80.380 -10.270 4.289 1.00 3.07 O ATOM 769 ND2 ASN A 51 78.383 -10.737 3.542 1.00 3.29 N ATOM 0 H ASN A 51 78.968 -6.231 1.887 1.00 1.18 H new ATOM 0 HA ASN A 51 77.307 -8.646 2.667 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.688 -8.981 1.670 1.00 1.96 H new ATOM 0 HB3 ASN A 51 80.301 -8.067 3.034 1.00 1.96 H new ATOM 0 HD21 ASN A 51 78.343 -11.579 4.116 1.00 3.29 H new ATOM 0 HD22 ASN A 51 77.595 -10.491 2.943 1.00 3.29 H new ATOM 776 N PRO A 52 76.939 -6.595 4.348 1.00 1.47 N ATOM 777 CA PRO A 52 76.656 -5.924 5.641 1.00 2.11 C ATOM 778 C PRO A 52 76.204 -6.946 6.686 1.00 1.79 C ATOM 779 O PRO A 52 75.962 -8.097 6.381 1.00 2.07 O ATOM 780 CB PRO A 52 75.527 -4.954 5.302 1.00 2.97 C ATOM 781 CG PRO A 52 74.861 -5.542 4.099 1.00 2.97 C ATOM 782 CD PRO A 52 75.918 -6.298 3.338 1.00 2.03 C ATOM 0 HA PRO A 52 77.527 -5.424 6.064 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.828 -4.856 6.132 1.00 2.97 H new ATOM 0 HB3 PRO A 52 75.913 -3.957 5.092 1.00 2.97 H new ATOM 0 HG2 PRO A 52 74.048 -6.206 4.394 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.424 -4.759 3.479 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.516 -7.210 2.896 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.326 -5.701 2.522 1.00 2.03 H new ATOM 790 N THR A 53 76.091 -6.536 7.921 1.00 1.42 N ATOM 791 CA THR A 53 75.656 -7.486 8.984 1.00 1.16 C ATOM 792 C THR A 53 74.204 -7.207 9.379 1.00 0.98 C ATOM 793 O THR A 53 73.672 -6.153 9.094 1.00 0.92 O ATOM 794 CB THR A 53 76.594 -7.216 10.162 1.00 1.19 C ATOM 795 OG1 THR A 53 77.136 -5.908 10.042 1.00 1.40 O ATOM 796 CG2 THR A 53 77.729 -8.241 10.161 1.00 1.36 C ATOM 0 H THR A 53 76.281 -5.586 8.239 1.00 1.42 H new ATOM 0 HA THR A 53 75.702 -8.524 8.656 1.00 1.16 H new ATOM 0 HB THR A 53 76.037 -7.297 11.095 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.736 -5.732 10.797 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.396 -8.046 11.001 1.00 1.36 H new ATOM 0 HG22 THR A 53 77.313 -9.244 10.253 1.00 1.36 H new ATOM 0 HG23 THR A 53 78.288 -8.164 9.229 1.00 1.36 H new ATOM 804 N PRO A 54 73.610 -8.171 10.029 1.00 0.99 N ATOM 805 CA PRO A 54 72.201 -8.036 10.474 1.00 1.04 C ATOM 806 C PRO A 54 72.104 -7.048 11.639 1.00 0.93 C ATOM 807 O PRO A 54 71.086 -6.419 11.849 1.00 0.94 O ATOM 808 CB PRO A 54 71.832 -9.448 10.921 1.00 1.19 C ATOM 809 CG PRO A 54 73.133 -10.092 11.278 1.00 1.18 C ATOM 810 CD PRO A 54 74.189 -9.463 10.407 1.00 1.10 C ATOM 0 HA PRO A 54 71.538 -7.655 9.698 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.154 -9.428 11.774 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.326 -9.995 10.125 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.362 -9.940 12.333 1.00 1.18 H new ATOM 0 HG3 PRO A 54 73.088 -11.169 11.114 1.00 1.18 H new ATOM 0 HD2 PRO A 54 75.128 -9.338 10.945 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.403 -10.077 9.532 1.00 1.10 H new ATOM 818 N GLU A 55 73.157 -6.905 12.397 1.00 0.98 N ATOM 819 CA GLU A 55 73.125 -5.955 13.546 1.00 1.08 C ATOM 820 C GLU A 55 73.393 -4.530 13.055 1.00 0.97 C ATOM 821 O GLU A 55 73.021 -3.564 13.691 1.00 1.01 O ATOM 822 CB GLU A 55 74.245 -6.422 14.476 1.00 1.28 C ATOM 823 CG GLU A 55 73.644 -6.908 15.796 1.00 2.15 C ATOM 824 CD GLU A 55 74.563 -7.960 16.419 1.00 2.57 C ATOM 825 OE1 GLU A 55 75.591 -8.242 15.829 1.00 3.14 O ATOM 826 OE2 GLU A 55 74.221 -8.465 17.476 1.00 2.81 O ATOM 0 H GLU A 55 74.037 -7.404 12.271 1.00 0.98 H new ATOM 0 HA GLU A 55 72.158 -5.943 14.049 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.812 -7.225 14.005 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.943 -5.605 14.661 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.517 -6.069 16.481 1.00 2.15 H new ATOM 0 HG3 GLU A 55 72.654 -7.331 15.623 1.00 2.15 H new ATOM 833 N GLU A 56 74.035 -4.395 11.927 1.00 0.92 N ATOM 834 CA GLU A 56 74.325 -3.033 11.392 1.00 0.94 C ATOM 835 C GLU A 56 73.055 -2.420 10.799 1.00 0.84 C ATOM 836 O GLU A 56 72.735 -1.274 11.042 1.00 0.94 O ATOM 837 CB GLU A 56 75.376 -3.251 10.302 1.00 1.06 C ATOM 838 CG GLU A 56 75.760 -1.904 9.687 1.00 1.60 C ATOM 839 CD GLU A 56 77.144 -1.487 10.189 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.595 -2.061 11.167 1.00 2.50 O ATOM 841 OE2 GLU A 56 77.729 -0.602 9.586 1.00 2.08 O ATOM 0 H GLU A 56 74.371 -5.168 11.353 1.00 0.92 H new ATOM 0 HA GLU A 56 74.677 -2.350 12.165 1.00 0.94 H new ATOM 0 HB2 GLU A 56 76.257 -3.735 10.723 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.984 -3.916 9.532 1.00 1.06 H new ATOM 0 HG2 GLU A 56 75.763 -1.977 8.599 1.00 1.60 H new ATOM 0 HG3 GLU A 56 75.022 -1.147 9.954 1.00 1.60 H new ATOM 848 N LEU A 57 72.325 -3.177 10.025 1.00 0.73 N ATOM 849 CA LEU A 57 71.074 -2.638 9.419 1.00 0.78 C ATOM 850 C LEU A 57 70.295 -1.825 10.456 1.00 0.80 C ATOM 851 O LEU A 57 69.905 -0.701 10.213 1.00 0.89 O ATOM 852 CB LEU A 57 70.280 -3.872 8.993 1.00 0.85 C ATOM 853 CG LEU A 57 71.042 -4.612 7.891 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.711 -6.104 7.950 1.00 1.30 C ATOM 855 CD2 LEU A 57 70.632 -4.054 6.526 1.00 1.10 C ATOM 0 H LEU A 57 72.541 -4.145 9.786 1.00 0.73 H new ATOM 0 HA LEU A 57 71.272 -1.972 8.579 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.124 -4.530 9.848 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.294 -3.577 8.634 1.00 0.85 H new ATOM 0 HG LEU A 57 72.113 -4.473 8.036 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.255 -6.629 7.164 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.002 -6.503 8.922 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.640 -6.245 7.806 1.00 1.30 H new ATOM 0 HD21 LEU A 57 71.174 -4.580 5.740 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.560 -4.193 6.383 1.00 1.10 H new ATOM 0 HD23 LEU A 57 70.869 -2.991 6.481 1.00 1.10 H new ATOM 867 N GLN A 58 70.069 -2.384 11.614 1.00 0.81 N ATOM 868 CA GLN A 58 69.320 -1.638 12.664 1.00 0.95 C ATOM 869 C GLN A 58 69.898 -0.228 12.819 1.00 0.99 C ATOM 870 O GLN A 58 69.175 0.745 12.898 1.00 1.13 O ATOM 871 CB GLN A 58 69.521 -2.446 13.946 1.00 1.09 C ATOM 872 CG GLN A 58 69.031 -1.630 15.144 1.00 1.25 C ATOM 873 CD GLN A 58 67.621 -1.108 14.863 1.00 1.41 C ATOM 874 OE1 GLN A 58 66.797 -1.837 14.163 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 67.267 -0.024 15.285 1.00 1.74 N flip ATOM 0 H GLN A 58 70.370 -3.322 11.877 1.00 0.81 H new ATOM 0 HA GLN A 58 68.264 -1.525 12.419 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.974 -3.387 13.885 1.00 1.09 H new ATOM 0 HB3 GLN A 58 70.575 -2.697 14.069 1.00 1.09 H new ATOM 0 HG2 GLN A 58 69.029 -2.248 16.042 1.00 1.25 H new ATOM 0 HG3 GLN A 58 69.708 -0.797 15.331 1.00 1.25 H new ATOM 0 HE21 GLN A 58 67.912 0.546 15.832 1.00 1.74 H new ATOM 0 HE22 GLN A 58 66.325 0.316 15.092 1.00 1.74 H new ATOM 884 N GLU A 59 71.198 -0.112 12.860 1.00 0.97 N ATOM 885 CA GLU A 59 71.820 1.235 13.007 1.00 1.14 C ATOM 886 C GLU A 59 71.415 2.129 11.832 1.00 1.11 C ATOM 887 O GLU A 59 70.818 3.171 12.012 1.00 1.18 O ATOM 888 CB GLU A 59 73.328 0.981 12.995 1.00 1.23 C ATOM 889 CG GLU A 59 73.779 0.520 14.383 1.00 1.60 C ATOM 890 CD GLU A 59 74.749 1.547 14.969 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.688 2.694 14.556 1.00 2.77 O ATOM 892 OE2 GLU A 59 75.536 1.170 15.822 1.00 2.75 O ATOM 0 H GLU A 59 71.855 -0.890 12.798 1.00 0.97 H new ATOM 0 HA GLU A 59 71.503 1.741 13.918 1.00 1.14 H new ATOM 0 HB2 GLU A 59 73.574 0.224 12.251 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.858 1.890 12.712 1.00 1.23 H new ATOM 0 HG2 GLU A 59 72.916 0.404 15.038 1.00 1.60 H new ATOM 0 HG3 GLU A 59 74.261 -0.455 14.316 1.00 1.60 H new ATOM 899 N MET A 60 71.729 1.726 10.631 1.00 1.11 N ATOM 900 CA MET A 60 71.354 2.555 9.449 1.00 1.18 C ATOM 901 C MET A 60 69.882 2.962 9.547 1.00 1.13 C ATOM 902 O MET A 60 69.540 4.122 9.432 1.00 1.25 O ATOM 903 CB MET A 60 71.583 1.648 8.239 1.00 1.22 C ATOM 904 CG MET A 60 72.611 2.292 7.307 1.00 1.62 C ATOM 905 SD MET A 60 73.992 1.149 7.052 1.00 1.82 S ATOM 906 CE MET A 60 75.283 2.190 7.779 1.00 2.02 C ATOM 0 H MET A 60 72.227 0.862 10.417 1.00 1.11 H new ATOM 0 HA MET A 60 71.937 3.473 9.381 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.935 0.670 8.566 1.00 1.22 H new ATOM 0 HB3 MET A 60 70.645 1.488 7.708 1.00 1.22 H new ATOM 0 HG2 MET A 60 72.148 2.539 6.352 1.00 1.62 H new ATOM 0 HG3 MET A 60 72.973 3.226 7.737 1.00 1.62 H new ATOM 0 HE1 MET A 60 76.240 1.671 7.728 1.00 2.02 H new ATOM 0 HE2 MET A 60 75.348 3.128 7.227 1.00 2.02 H new ATOM 0 HE3 MET A 60 75.039 2.398 8.821 1.00 2.02 H new ATOM 916 N ILE A 61 69.009 2.016 9.761 1.00 1.04 N ATOM 917 CA ILE A 61 67.561 2.347 9.873 1.00 1.11 C ATOM 918 C ILE A 61 67.340 3.292 11.063 1.00 1.23 C ATOM 919 O ILE A 61 66.484 4.154 11.031 1.00 1.40 O ATOM 920 CB ILE A 61 66.864 0.985 10.067 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.099 0.629 8.790 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.880 1.027 11.243 1.00 1.36 C ATOM 923 CD1 ILE A 61 66.458 -0.795 8.360 1.00 1.14 C ATOM 0 H ILE A 61 69.237 1.027 9.863 1.00 1.04 H new ATOM 0 HA ILE A 61 67.163 2.865 9.000 1.00 1.11 H new ATOM 0 HB ILE A 61 67.626 0.236 10.281 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.026 0.708 8.962 1.00 1.17 H new ATOM 0 HG13 ILE A 61 66.347 1.333 7.996 1.00 1.17 H new ATOM 0 HG21 ILE A 61 65.404 0.053 11.355 1.00 1.36 H new ATOM 0 HG22 ILE A 61 66.417 1.275 12.158 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.118 1.783 11.053 1.00 1.36 H new ATOM 0 HD11 ILE A 61 65.913 -1.049 7.451 1.00 1.14 H new ATOM 0 HD12 ILE A 61 67.530 -0.859 8.171 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.187 -1.493 9.152 1.00 1.14 H new ATOM 935 N ASP A 62 68.106 3.137 12.108 1.00 1.23 N ATOM 936 CA ASP A 62 67.940 4.029 13.291 1.00 1.43 C ATOM 937 C ASP A 62 68.008 5.493 12.851 1.00 1.48 C ATOM 938 O ASP A 62 67.269 6.331 13.328 1.00 1.67 O ATOM 939 CB ASP A 62 69.110 3.689 14.214 1.00 1.51 C ATOM 940 CG ASP A 62 68.687 3.889 15.670 1.00 1.54 C ATOM 941 OD1 ASP A 62 67.571 3.524 15.999 1.00 2.13 O ATOM 942 OD2 ASP A 62 69.489 4.405 16.433 1.00 1.79 O ATOM 0 H ASP A 62 68.839 2.433 12.194 1.00 1.23 H new ATOM 0 HA ASP A 62 66.980 3.887 13.788 1.00 1.43 H new ATOM 0 HB2 ASP A 62 69.425 2.658 14.054 1.00 1.51 H new ATOM 0 HB3 ASP A 62 69.966 4.323 13.983 1.00 1.51 H new ATOM 947 N GLU A 63 68.889 5.805 11.940 1.00 1.41 N ATOM 948 CA GLU A 63 69.004 7.211 11.462 1.00 1.52 C ATOM 949 C GLU A 63 68.166 7.402 10.195 1.00 1.47 C ATOM 950 O GLU A 63 67.413 8.348 10.072 1.00 1.80 O ATOM 951 CB GLU A 63 70.490 7.406 11.156 1.00 1.55 C ATOM 952 CG GLU A 63 70.963 8.734 11.749 1.00 2.11 C ATOM 953 CD GLU A 63 71.722 9.527 10.684 1.00 2.26 C ATOM 954 OE1 GLU A 63 71.555 9.222 9.514 1.00 2.32 O ATOM 955 OE2 GLU A 63 72.457 10.428 11.055 1.00 2.93 O ATOM 0 H GLU A 63 69.535 5.146 11.506 1.00 1.41 H new ATOM 0 HA GLU A 63 68.643 7.930 12.197 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.069 6.582 11.573 1.00 1.55 H new ATOM 0 HB3 GLU A 63 70.654 7.398 10.079 1.00 1.55 H new ATOM 0 HG2 GLU A 63 70.109 9.310 12.106 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.607 8.551 12.609 1.00 2.11 H new ATOM 962 N VAL A 64 68.290 6.508 9.252 1.00 1.33 N ATOM 963 CA VAL A 64 67.500 6.634 7.995 1.00 1.29 C ATOM 964 C VAL A 64 66.015 6.410 8.293 1.00 1.21 C ATOM 965 O VAL A 64 65.174 7.210 7.933 1.00 1.50 O ATOM 966 CB VAL A 64 68.070 5.552 7.064 1.00 1.40 C ATOM 967 CG1 VAL A 64 66.955 4.886 6.248 1.00 1.69 C ATOM 968 CG2 VAL A 64 69.066 6.204 6.108 1.00 1.31 C ATOM 0 H VAL A 64 68.905 5.695 9.298 1.00 1.33 H new ATOM 0 HA VAL A 64 67.573 7.621 7.538 1.00 1.29 H new ATOM 0 HB VAL A 64 68.558 4.788 7.669 1.00 1.40 H new ATOM 0 HG11 VAL A 64 67.385 4.125 5.598 1.00 1.69 H new ATOM 0 HG12 VAL A 64 66.237 4.422 6.924 1.00 1.69 H new ATOM 0 HG13 VAL A 64 66.449 5.637 5.642 1.00 1.69 H new ATOM 0 HG21 VAL A 64 69.479 5.447 5.441 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.559 6.969 5.520 1.00 1.31 H new ATOM 0 HG23 VAL A 64 69.873 6.662 6.680 1.00 1.31 H new ATOM 978 N ASP A 65 65.684 5.333 8.948 1.00 1.27 N ATOM 979 CA ASP A 65 64.253 5.073 9.268 1.00 1.38 C ATOM 980 C ASP A 65 63.757 6.094 10.293 1.00 2.07 C ATOM 981 O ASP A 65 63.292 5.743 11.359 1.00 2.61 O ATOM 982 CB ASP A 65 64.225 3.661 9.856 1.00 1.38 C ATOM 983 CG ASP A 65 63.022 2.900 9.299 1.00 1.66 C ATOM 984 OD1 ASP A 65 61.919 3.408 9.417 1.00 1.47 O ATOM 985 OD2 ASP A 65 63.223 1.822 8.764 1.00 2.59 O ATOM 0 H ASP A 65 66.340 4.623 9.275 1.00 1.27 H new ATOM 0 HA ASP A 65 63.609 5.157 8.393 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.147 3.135 9.610 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.166 3.710 10.943 1.00 1.38 H new ATOM 990 N GLU A 66 63.857 7.358 9.982 1.00 2.65 N ATOM 991 CA GLU A 66 63.396 8.402 10.942 1.00 3.74 C ATOM 992 C GLU A 66 62.017 8.040 11.502 1.00 4.00 C ATOM 993 O GLU A 66 61.641 8.470 12.575 1.00 4.93 O ATOM 994 CB GLU A 66 63.320 9.688 10.118 1.00 4.58 C ATOM 995 CG GLU A 66 64.642 10.449 10.238 1.00 5.25 C ATOM 996 CD GLU A 66 64.609 11.678 9.327 1.00 6.17 C ATOM 997 OE1 GLU A 66 64.616 11.497 8.120 1.00 6.67 O ATOM 998 OE2 GLU A 66 64.577 12.779 9.851 1.00 6.61 O ATOM 0 H GLU A 66 64.238 7.713 9.105 1.00 2.65 H new ATOM 0 HA GLU A 66 64.066 8.502 11.796 1.00 3.74 H new ATOM 0 HB2 GLU A 66 63.117 9.452 9.073 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.497 10.310 10.470 1.00 4.58 H new ATOM 0 HG2 GLU A 66 64.806 10.754 11.272 1.00 5.25 H new ATOM 0 HG3 GLU A 66 65.473 9.801 9.961 1.00 5.25 H new ATOM 1005 N ASP A 67 61.261 7.254 10.786 1.00 3.32 N ATOM 1006 CA ASP A 67 59.906 6.868 11.280 1.00 3.69 C ATOM 1007 C ASP A 67 59.996 5.607 12.145 1.00 3.25 C ATOM 1008 O ASP A 67 58.997 5.074 12.585 1.00 3.49 O ATOM 1009 CB ASP A 67 59.087 6.597 10.019 1.00 3.68 C ATOM 1010 CG ASP A 67 59.729 5.456 9.228 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.905 5.561 8.924 1.00 2.33 O ATOM 1012 OD2 ASP A 67 59.032 4.497 8.937 1.00 3.83 O ATOM 0 H ASP A 67 61.521 6.862 9.881 1.00 3.32 H new ATOM 0 HA ASP A 67 59.456 7.644 11.899 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.063 6.337 10.287 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.037 7.496 9.405 1.00 3.68 H new ATOM 1017 N GLY A 68 61.184 5.129 12.393 1.00 2.98 N ATOM 1018 CA GLY A 68 61.335 3.904 13.229 1.00 3.17 C ATOM 1019 C GLY A 68 60.320 2.851 12.781 1.00 2.42 C ATOM 1020 O GLY A 68 59.452 2.454 13.533 1.00 3.05 O ATOM 0 H GLY A 68 62.057 5.533 12.053 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.347 3.511 13.137 1.00 3.17 H new ATOM 0 HA3 GLY A 68 61.182 4.147 14.280 1.00 3.17 H new ATOM 1024 N SER A 69 60.420 2.396 11.563 1.00 1.46 N ATOM 1025 CA SER A 69 59.459 1.367 11.070 1.00 1.52 C ATOM 1026 C SER A 69 60.212 0.123 10.591 1.00 1.64 C ATOM 1027 O SER A 69 59.650 -0.949 10.478 1.00 2.49 O ATOM 1028 CB SER A 69 58.730 2.034 9.905 1.00 2.44 C ATOM 1029 OG SER A 69 59.642 2.236 8.833 1.00 2.71 O ATOM 0 H SER A 69 61.125 2.691 10.887 1.00 1.46 H new ATOM 0 HA SER A 69 58.770 1.039 11.849 1.00 1.52 H new ATOM 0 HB2 SER A 69 57.898 1.411 9.577 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.308 2.987 10.223 1.00 2.44 H new ATOM 1035 N GLY A 70 61.479 0.254 10.309 1.00 1.28 N ATOM 1036 CA GLY A 70 62.265 -0.922 9.838 1.00 1.43 C ATOM 1037 C GLY A 70 61.894 -1.240 8.388 1.00 1.29 C ATOM 1038 O GLY A 70 62.318 -2.233 7.833 1.00 1.59 O ATOM 0 H GLY A 70 62.005 1.125 10.384 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.332 -0.713 9.913 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.064 -1.785 10.473 1.00 1.43 H new ATOM 1042 N THR A 71 61.107 -0.402 7.768 1.00 0.89 N ATOM 1043 CA THR A 71 60.713 -0.658 6.354 1.00 0.79 C ATOM 1044 C THR A 71 61.558 0.198 5.406 1.00 0.76 C ATOM 1045 O THR A 71 61.807 1.360 5.660 1.00 0.83 O ATOM 1046 CB THR A 71 59.241 -0.250 6.274 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.095 1.079 6.753 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.399 -1.198 7.128 1.00 1.08 C ATOM 0 H THR A 71 60.721 0.448 8.180 1.00 0.89 H new ATOM 0 HA THR A 71 60.865 -1.698 6.065 1.00 0.79 H new ATOM 0 HB THR A 71 58.904 -0.303 5.239 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.044 1.070 7.732 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.350 -0.906 7.070 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.513 -2.218 6.760 1.00 1.08 H new ATOM 0 HG23 THR A 71 58.733 -1.148 8.164 1.00 1.08 H new ATOM 1056 N VAL A 72 62.002 -0.364 4.314 1.00 0.73 N ATOM 1057 CA VAL A 72 62.828 0.424 3.355 1.00 0.77 C ATOM 1058 C VAL A 72 62.203 0.385 1.958 1.00 0.80 C ATOM 1059 O VAL A 72 62.270 -0.611 1.265 1.00 1.00 O ATOM 1060 CB VAL A 72 64.195 -0.261 3.349 1.00 0.85 C ATOM 1061 CG1 VAL A 72 65.036 0.280 2.190 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.908 0.025 4.671 1.00 1.13 C ATOM 0 H VAL A 72 61.829 -1.333 4.045 1.00 0.73 H new ATOM 0 HA VAL A 72 62.899 1.473 3.641 1.00 0.77 H new ATOM 0 HB VAL A 72 64.063 -1.336 3.228 1.00 0.85 H new ATOM 0 HG11 VAL A 72 66.010 -0.210 2.188 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.527 0.080 1.247 1.00 1.13 H new ATOM 0 HG13 VAL A 72 65.171 1.355 2.309 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.883 -0.462 4.671 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.039 1.101 4.788 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.310 -0.360 5.497 1.00 1.13 H new ATOM 1072 N ASP A 73 61.599 1.463 1.540 1.00 0.77 N ATOM 1073 CA ASP A 73 60.974 1.489 0.187 1.00 0.83 C ATOM 1074 C ASP A 73 62.011 1.883 -0.867 1.00 0.87 C ATOM 1075 O ASP A 73 63.203 1.780 -0.647 1.00 0.87 O ATOM 1076 CB ASP A 73 59.874 2.547 0.279 1.00 0.85 C ATOM 1077 CG ASP A 73 60.485 3.881 0.709 1.00 1.80 C ATOM 1078 OD1 ASP A 73 61.674 4.059 0.504 1.00 2.57 O ATOM 1079 OD2 ASP A 73 59.753 4.702 1.238 1.00 2.47 O ATOM 0 H ASP A 73 61.511 2.326 2.076 1.00 0.77 H new ATOM 0 HA ASP A 73 60.580 0.516 -0.104 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.378 2.656 -0.685 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.114 2.235 0.995 1.00 0.85 H new ATOM 1084 N PHE A 74 61.572 2.334 -2.010 1.00 0.94 N ATOM 1085 CA PHE A 74 62.536 2.735 -3.075 1.00 0.98 C ATOM 1086 C PHE A 74 63.370 3.933 -2.612 1.00 0.86 C ATOM 1087 O PHE A 74 64.393 4.248 -3.185 1.00 0.83 O ATOM 1088 CB PHE A 74 61.669 3.119 -4.274 1.00 1.12 C ATOM 1089 CG PHE A 74 62.541 3.683 -5.371 1.00 1.33 C ATOM 1090 CD1 PHE A 74 63.528 2.886 -5.962 1.00 2.22 C ATOM 1091 CD2 PHE A 74 62.363 5.006 -5.797 1.00 1.97 C ATOM 1092 CE1 PHE A 74 64.336 3.409 -6.979 1.00 3.01 C ATOM 1093 CE2 PHE A 74 63.170 5.529 -6.814 1.00 2.84 C ATOM 1094 CZ PHE A 74 64.158 4.730 -7.404 1.00 3.18 C ATOM 0 H PHE A 74 60.587 2.442 -2.253 1.00 0.94 H new ATOM 0 HA PHE A 74 63.236 1.935 -3.318 1.00 0.98 H new ATOM 0 HB2 PHE A 74 61.128 2.246 -4.639 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.922 3.855 -3.975 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.667 1.867 -5.633 1.00 2.22 H new ATOM 0 HD2 PHE A 74 61.603 5.622 -5.340 1.00 1.97 H new ATOM 0 HE1 PHE A 74 65.097 2.793 -7.435 1.00 3.01 H new ATOM 0 HE2 PHE A 74 63.031 6.548 -7.144 1.00 2.84 H new ATOM 0 HZ PHE A 74 64.782 5.134 -8.187 1.00 3.18 H new ATOM 1104 N ASP A 75 62.941 4.602 -1.576 1.00 0.83 N ATOM 1105 CA ASP A 75 63.710 5.779 -1.079 1.00 0.76 C ATOM 1106 C ASP A 75 64.685 5.349 0.021 1.00 0.69 C ATOM 1107 O ASP A 75 65.876 5.569 -0.072 1.00 0.65 O ATOM 1108 CB ASP A 75 62.656 6.736 -0.520 1.00 0.81 C ATOM 1109 CG ASP A 75 63.294 8.101 -0.258 1.00 0.99 C ATOM 1110 OD1 ASP A 75 64.511 8.166 -0.208 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.554 9.061 -0.113 1.00 1.57 O ATOM 0 H ASP A 75 62.093 4.385 -1.053 1.00 0.83 H new ATOM 0 HA ASP A 75 64.305 6.244 -1.865 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.831 6.838 -1.225 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.238 6.335 0.403 1.00 0.81 H new ATOM 1116 N GLU A 76 64.189 4.739 1.062 1.00 0.77 N ATOM 1117 CA GLU A 76 65.088 4.297 2.166 1.00 0.78 C ATOM 1118 C GLU A 76 66.224 3.436 1.608 1.00 0.70 C ATOM 1119 O GLU A 76 67.370 3.584 1.982 1.00 0.70 O ATOM 1120 CB GLU A 76 64.199 3.470 3.094 1.00 0.95 C ATOM 1121 CG GLU A 76 62.979 4.297 3.507 1.00 1.51 C ATOM 1122 CD GLU A 76 62.512 3.861 4.898 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.357 3.714 5.765 1.00 1.72 O ATOM 1124 OE2 GLU A 76 61.318 3.683 5.071 1.00 1.94 O ATOM 0 H GLU A 76 63.200 4.527 1.196 1.00 0.77 H new ATOM 0 HA GLU A 76 65.549 5.138 2.685 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.879 2.558 2.590 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.761 3.166 3.977 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.231 5.358 3.512 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.175 4.164 2.784 1.00 1.51 H new ATOM 1131 N PHE A 77 65.912 2.535 0.718 1.00 0.72 N ATOM 1132 CA PHE A 77 66.970 1.662 0.137 1.00 0.73 C ATOM 1133 C PHE A 77 68.048 2.510 -0.544 1.00 0.67 C ATOM 1134 O PHE A 77 69.202 2.488 -0.163 1.00 0.69 O ATOM 1135 CB PHE A 77 66.245 0.795 -0.893 1.00 0.84 C ATOM 1136 CG PHE A 77 67.084 -0.419 -1.236 1.00 0.97 C ATOM 1137 CD1 PHE A 77 68.377 -0.560 -0.713 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.562 -1.405 -2.080 1.00 1.32 C ATOM 1139 CE1 PHE A 77 69.144 -1.685 -1.035 1.00 2.03 C ATOM 1140 CE2 PHE A 77 67.329 -2.530 -2.402 1.00 1.48 C ATOM 1141 CZ PHE A 77 68.620 -2.671 -1.879 1.00 1.46 C ATOM 0 H PHE A 77 64.969 2.366 0.368 1.00 0.72 H new ATOM 0 HA PHE A 77 67.472 1.064 0.898 1.00 0.73 H new ATOM 0 HB2 PHE A 77 65.279 0.479 -0.499 1.00 0.84 H new ATOM 0 HB3 PHE A 77 66.047 1.376 -1.794 1.00 0.84 H new ATOM 0 HD1 PHE A 77 68.781 0.200 -0.061 1.00 1.83 H new ATOM 0 HD2 PHE A 77 65.566 -1.298 -2.483 1.00 1.32 H new ATOM 0 HE1 PHE A 77 70.140 -1.793 -0.632 1.00 2.03 H new ATOM 0 HE2 PHE A 77 66.925 -3.290 -3.054 1.00 1.48 H new ATOM 0 HZ PHE A 77 69.211 -3.540 -2.127 1.00 1.46 H new ATOM 1151 N LEU A 78 67.684 3.252 -1.552 1.00 0.66 N ATOM 1152 CA LEU A 78 68.693 4.094 -2.256 1.00 0.68 C ATOM 1153 C LEU A 78 69.381 5.035 -1.265 1.00 0.62 C ATOM 1154 O LEU A 78 70.508 5.444 -1.464 1.00 0.64 O ATOM 1155 CB LEU A 78 67.896 4.890 -3.293 1.00 0.77 C ATOM 1156 CG LEU A 78 67.150 3.927 -4.222 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.652 4.688 -5.452 1.00 1.55 C ATOM 1158 CD2 LEU A 78 68.093 2.806 -4.666 1.00 1.41 C ATOM 0 H LEU A 78 66.734 3.313 -1.919 1.00 0.66 H new ATOM 0 HA LEU A 78 69.477 3.496 -2.720 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.187 5.550 -2.793 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.567 5.524 -3.873 1.00 0.77 H new ATOM 0 HG LEU A 78 66.301 3.497 -3.690 1.00 0.96 H new ATOM 0 HD11 LEU A 78 66.121 4.003 -6.113 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.978 5.485 -5.138 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.502 5.119 -5.982 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.560 2.122 -5.327 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.943 3.235 -5.197 1.00 1.41 H new ATOM 0 HD23 LEU A 78 68.448 2.262 -3.791 1.00 1.41 H new ATOM 1170 N VAL A 79 68.715 5.383 -0.199 1.00 0.59 N ATOM 1171 CA VAL A 79 69.335 6.298 0.803 1.00 0.61 C ATOM 1172 C VAL A 79 70.238 5.508 1.755 1.00 0.63 C ATOM 1173 O VAL A 79 71.396 5.828 1.936 1.00 0.68 O ATOM 1174 CB VAL A 79 68.157 6.905 1.564 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.658 7.549 2.858 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.483 7.969 0.693 1.00 0.70 C ATOM 0 H VAL A 79 67.768 5.074 0.023 1.00 0.59 H new ATOM 0 HA VAL A 79 69.957 7.061 0.336 1.00 0.61 H new ATOM 0 HB VAL A 79 67.439 6.121 1.805 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.816 7.981 3.399 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.138 6.793 3.479 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.377 8.333 2.620 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.642 8.403 1.234 1.00 0.70 H new ATOM 0 HG22 VAL A 79 68.203 8.751 0.452 1.00 0.70 H new ATOM 0 HG23 VAL A 79 67.124 7.511 -0.228 1.00 0.70 H new ATOM 1186 N MET A 80 69.717 4.480 2.366 1.00 0.65 N ATOM 1187 CA MET A 80 70.546 3.675 3.308 1.00 0.72 C ATOM 1188 C MET A 80 71.707 3.013 2.563 1.00 0.71 C ATOM 1189 O MET A 80 72.733 2.711 3.139 1.00 0.76 O ATOM 1190 CB MET A 80 69.594 2.616 3.869 1.00 0.80 C ATOM 1191 CG MET A 80 69.279 1.582 2.786 1.00 1.12 C ATOM 1192 SD MET A 80 70.168 0.046 3.140 1.00 2.17 S ATOM 1193 CE MET A 80 68.803 -0.825 3.945 1.00 2.77 C ATOM 0 H MET A 80 68.754 4.162 2.254 1.00 0.65 H new ATOM 0 HA MET A 80 70.985 4.287 4.096 1.00 0.72 H new ATOM 0 HB2 MET A 80 70.046 2.127 4.732 1.00 0.80 H new ATOM 0 HB3 MET A 80 68.674 3.087 4.215 1.00 0.80 H new ATOM 0 HG2 MET A 80 68.206 1.393 2.750 1.00 1.12 H new ATOM 0 HG3 MET A 80 69.569 1.965 1.807 1.00 1.12 H new ATOM 0 HE1 MET A 80 69.135 -1.817 4.252 1.00 2.77 H new ATOM 0 HE2 MET A 80 68.479 -0.263 4.821 1.00 2.77 H new ATOM 0 HE3 MET A 80 67.971 -0.921 3.248 1.00 2.77 H new ATOM 1203 N MET A 81 71.557 2.789 1.287 1.00 0.69 N ATOM 1204 CA MET A 81 72.661 2.149 0.516 1.00 0.74 C ATOM 1205 C MET A 81 73.682 3.207 0.085 1.00 0.75 C ATOM 1206 O MET A 81 74.817 2.899 -0.224 1.00 0.82 O ATOM 1207 CB MET A 81 71.980 1.494 -0.693 1.00 0.73 C ATOM 1208 CG MET A 81 71.793 2.517 -1.817 1.00 0.89 C ATOM 1209 SD MET A 81 73.118 2.325 -3.038 1.00 1.41 S ATOM 1210 CE MET A 81 72.882 0.558 -3.356 1.00 1.21 C ATOM 0 H MET A 81 70.723 3.020 0.747 1.00 0.69 H new ATOM 0 HA MET A 81 73.211 1.413 1.102 1.00 0.74 H new ATOM 0 HB2 MET A 81 72.582 0.658 -1.049 1.00 0.73 H new ATOM 0 HB3 MET A 81 71.013 1.087 -0.398 1.00 0.73 H new ATOM 0 HG2 MET A 81 70.823 2.376 -2.293 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.804 3.528 -1.409 1.00 0.89 H new ATOM 0 HE1 MET A 81 73.411 0.278 -4.267 1.00 1.21 H new ATOM 0 HE2 MET A 81 73.273 -0.018 -2.517 1.00 1.21 H new ATOM 0 HE3 MET A 81 71.819 0.349 -3.475 1.00 1.21 H new ATOM 1220 N VAL A 82 73.293 4.454 0.074 1.00 0.72 N ATOM 1221 CA VAL A 82 74.246 5.528 -0.326 1.00 0.78 C ATOM 1222 C VAL A 82 75.405 5.578 0.673 1.00 0.81 C ATOM 1223 O VAL A 82 76.553 5.397 0.320 1.00 0.93 O ATOM 1224 CB VAL A 82 73.430 6.823 -0.278 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.371 8.026 -0.180 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.589 6.941 -1.551 1.00 1.36 C ATOM 0 H VAL A 82 72.358 4.774 0.324 1.00 0.72 H new ATOM 0 HA VAL A 82 74.677 5.364 -1.314 1.00 0.78 H new ATOM 0 HB VAL A 82 72.777 6.804 0.595 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.785 8.944 -0.146 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.972 7.945 0.726 1.00 1.08 H new ATOM 0 HG13 VAL A 82 75.027 8.046 -1.050 1.00 1.08 H new ATOM 0 HG21 VAL A 82 72.007 7.862 -1.519 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.246 6.957 -2.421 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.914 6.088 -1.622 1.00 1.36 H new ATOM 1236 N ARG A 83 75.110 5.814 1.922 1.00 0.79 N ATOM 1237 CA ARG A 83 76.191 5.867 2.945 1.00 0.85 C ATOM 1238 C ARG A 83 76.969 4.549 2.944 1.00 0.90 C ATOM 1239 O ARG A 83 78.144 4.508 3.250 1.00 1.00 O ATOM 1240 CB ARG A 83 75.467 6.061 4.278 1.00 0.87 C ATOM 1241 CG ARG A 83 75.302 7.557 4.556 1.00 1.07 C ATOM 1242 CD ARG A 83 74.416 7.753 5.789 1.00 0.92 C ATOM 1243 NE ARG A 83 75.067 8.848 6.559 1.00 1.62 N ATOM 1244 CZ ARG A 83 76.102 8.591 7.313 1.00 1.83 C ATOM 1245 NH1 ARG A 83 75.996 7.741 8.297 1.00 2.49 N ATOM 1246 NH2 ARG A 83 77.240 9.185 7.081 1.00 2.14 N ATOM 0 H ARG A 83 74.167 5.972 2.278 1.00 0.79 H new ATOM 0 HA ARG A 83 76.908 6.666 2.754 1.00 0.85 H new ATOM 0 HB2 ARG A 83 74.491 5.576 4.248 1.00 0.87 H new ATOM 0 HB3 ARG A 83 76.032 5.591 5.083 1.00 0.87 H new ATOM 0 HG2 ARG A 83 76.277 8.017 4.719 1.00 1.07 H new ATOM 0 HG3 ARG A 83 74.856 8.051 3.693 1.00 1.07 H new ATOM 0 HD2 ARG A 83 73.398 8.021 5.505 1.00 0.92 H new ATOM 0 HD3 ARG A 83 74.353 6.839 6.379 1.00 0.92 H new ATOM 0 HE ARG A 83 74.705 9.799 6.498 1.00 1.62 H new ATOM 0 HH11 ARG A 83 75.105 7.278 8.477 1.00 2.49 H new ATOM 0 HH12 ARG A 83 76.804 7.540 8.886 1.00 2.49 H new ATOM 0 HH21 ARG A 83 77.321 9.849 6.311 1.00 2.14 H new ATOM 0 HH22 ARG A 83 78.049 8.985 7.669 1.00 2.14 H new ATOM 1260 N SER A 84 76.319 3.471 2.597 1.00 0.92 N ATOM 1261 CA SER A 84 77.016 2.153 2.572 1.00 1.01 C ATOM 1262 C SER A 84 77.819 2.004 1.276 1.00 1.06 C ATOM 1263 O SER A 84 78.405 0.973 1.013 1.00 1.38 O ATOM 1264 CB SER A 84 75.897 1.114 2.630 1.00 1.04 C ATOM 1265 OG SER A 84 75.402 1.030 3.960 1.00 1.52 O ATOM 0 H SER A 84 75.335 3.446 2.330 1.00 0.92 H new ATOM 0 HA SER A 84 77.720 2.042 3.397 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.093 1.390 1.947 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.270 0.142 2.307 1.00 1.04 H new ATOM 0 HG SER A 84 74.531 1.476 4.014 1.00 1.52 H new ATOM 1271 N MET A 85 77.850 3.026 0.465 1.00 0.00 N ATOM 1272 CA MET A 85 78.615 2.941 -0.813 1.00 0.00 C ATOM 1273 C MET A 85 79.800 3.910 -0.785 1.00 0.00 C ATOM 1274 O MET A 85 79.851 4.864 -1.535 1.00 0.00 O ATOM 1275 CB MET A 85 77.617 3.344 -1.899 1.00 0.00 C ATOM 1276 CG MET A 85 76.888 2.100 -2.409 1.00 0.00 C ATOM 1277 SD MET A 85 76.433 2.337 -4.145 1.00 0.00 S ATOM 1278 CE MET A 85 75.637 3.950 -3.952 1.00 0.00 C ATOM 0 H MET A 85 77.379 3.916 0.631 1.00 0.00 H new ATOM 0 HA MET A 85 79.024 1.945 -0.985 1.00 0.00 H new ATOM 0 HB2 MET A 85 76.899 4.061 -1.500 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.137 3.836 -2.721 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.527 1.223 -2.306 1.00 0.00 H new ATOM 0 HG3 MET A 85 75.996 1.917 -1.810 1.00 0.00 H new ATOM 0 HE1 MET A 85 74.839 4.052 -4.687 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.219 4.032 -2.949 1.00 0.00 H new ATOM 0 HE3 MET A 85 76.373 4.739 -4.103 1.00 0.00 H new ATOM 1288 N LYS A 86 80.753 3.674 0.075 1.00 0.00 N ATOM 1289 CA LYS A 86 81.932 4.583 0.149 1.00 0.00 C ATOM 1290 C LYS A 86 83.217 3.809 -0.158 1.00 0.00 C ATOM 1291 O LYS A 86 83.306 2.619 0.070 1.00 0.00 O ATOM 1292 CB LYS A 86 81.947 5.097 1.588 1.00 0.00 C ATOM 1293 CG LYS A 86 81.468 6.550 1.615 1.00 0.00 C ATOM 1294 CD LYS A 86 82.606 7.470 1.172 1.00 0.00 C ATOM 1295 CE LYS A 86 83.531 7.750 2.359 1.00 0.00 C ATOM 1296 NZ LYS A 86 83.877 9.194 2.244 1.00 0.00 N ATOM 0 H LYS A 86 80.766 2.892 0.729 1.00 0.00 H new ATOM 0 HA LYS A 86 81.871 5.397 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 86 81.303 4.479 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 86 82.954 5.027 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 86 80.609 6.673 0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 86 81.140 6.817 2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 86 83.168 7.006 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 86 82.201 8.405 0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 86 83.034 7.537 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 86 84.424 7.126 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 84.510 9.463 3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 84.355 9.365 1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 83.008 9.764 2.291 1.00 0.00 H new ATOM 1310 N ASP A 87 84.213 4.476 -0.673 1.00 0.00 N ATOM 1311 CA ASP A 87 85.491 3.778 -0.992 1.00 0.00 C ATOM 1312 C ASP A 87 86.467 3.904 0.181 1.00 0.00 C ATOM 1313 O ASP A 87 87.670 3.887 0.006 1.00 0.00 O ATOM 1314 CB ASP A 87 86.039 4.496 -2.227 1.00 0.00 C ATOM 1315 CG ASP A 87 86.556 5.878 -1.827 1.00 0.00 C ATOM 1316 OD1 ASP A 87 85.745 6.708 -1.453 1.00 0.00 O ATOM 1317 OD2 ASP A 87 87.757 6.084 -1.903 1.00 0.00 O ATOM 0 H ASP A 87 84.198 5.473 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 87 85.347 2.713 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 87 86.843 3.911 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 87 85.258 4.593 -2.981 1.00 0.00 H new ATOM 1322 N ASP A 88 85.958 4.031 1.377 1.00 0.00 N ATOM 1323 CA ASP A 88 86.856 4.158 2.560 1.00 0.00 C ATOM 1324 C ASP A 88 86.468 3.135 3.632 1.00 0.00 C ATOM 1325 O ASP A 88 87.109 3.022 4.658 1.00 0.00 O ATOM 1326 CB ASP A 88 86.635 5.581 3.073 1.00 0.00 C ATOM 1327 CG ASP A 88 87.451 6.560 2.229 1.00 0.00 C ATOM 1328 OD1 ASP A 88 88.371 6.114 1.562 1.00 0.00 O ATOM 1329 OD2 ASP A 88 87.146 7.741 2.265 1.00 0.00 O ATOM 0 H ASP A 88 84.960 4.052 1.585 1.00 0.00 H new ATOM 0 HA ASP A 88 87.900 3.972 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 88 85.576 5.836 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 88 86.931 5.652 4.120 1.00 0.00 H new ATOM 1334 N SER A 89 85.422 2.389 3.401 1.00 0.00 N ATOM 1335 CA SER A 89 84.994 1.376 4.408 1.00 0.00 C ATOM 1336 C SER A 89 85.432 -0.024 3.967 1.00 0.00 C ATOM 1337 O SER A 89 84.782 -0.978 4.362 1.00 0.00 O ATOM 1338 CB SER A 89 83.470 1.474 4.446 1.00 0.00 C ATOM 1339 OG SER A 89 82.935 0.973 3.228 1.00 0.00 O ATOM 1340 OXT SER A 89 86.408 -0.116 3.241 1.00 0.00 O ATOM 0 H SER A 89 84.846 2.437 2.560 1.00 0.00 H new ATOM 0 HA SER A 89 85.437 1.554 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 89 83.079 0.905 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 89 83.165 2.510 4.591 1.00 0.00 H new ATOM 0 HG SER A 89 81.957 1.033 3.251 1.00 0.00 H new TER 1346 SER A 89 HETATM 1347 CA CA A 90 61.298 3.485 7.338 1.00 1.15 CA