USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 51 MET CE :methyl 161:sc= -4.86! (180deg=-1.66) USER MOD Set 1.2: A 71 MET CE :methyl 141:sc= -4.36 (180deg=-4.2!) USER MOD Single : A 1 ALA N :NH3+ 169:sc= -3.32! (180deg=-3.45!) USER MOD Single : A 3 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -9.97! C(o=-10!,f=-10!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 42:sc= -0.872 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0792 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 84:sc= 0.286 USER MOD Single : A 36 MET CE :methyl -128:sc= -1.2 (180deg=-3.17!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.17) USER MOD Single : A 42 ASN : amide:sc= -0.276 K(o=-0.28,f=-1.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 49 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 53 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.3!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 144:sc= -0.44 (180deg=-1.98!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.350 9.810 3.716 1.00 6.24 N ATOM 2 CA ALA A 1 -19.677 9.528 3.196 1.00 5.90 C ATOM 3 C ALA A 1 -20.275 8.342 3.955 1.00 4.74 C ATOM 4 O ALA A 1 -21.118 7.621 3.423 1.00 4.43 O ATOM 5 CB ALA A 1 -19.593 9.273 1.690 1.00 5.99 C ATOM 0 H1 ALA A 1 -17.868 10.485 3.089 1.00 6.24 H new ATOM 0 H2 ALA A 1 -18.430 10.219 4.669 1.00 6.24 H new ATOM 0 H3 ALA A 1 -17.801 8.928 3.763 1.00 6.24 H new ATOM 0 HA ALA A 1 -20.337 10.383 3.345 1.00 5.90 H new ATOM 0 HB1 ALA A 1 -20.589 9.062 1.301 1.00 5.99 H new ATOM 0 HB2 ALA A 1 -19.189 10.155 1.194 1.00 5.99 H new ATOM 0 HB3 ALA A 1 -18.941 8.420 1.501 1.00 5.99 H new ATOM 11 N ASP A 2 -19.816 8.175 5.187 1.00 5.06 N ATOM 12 CA ASP A 2 -20.295 7.089 6.024 1.00 4.86 C ATOM 13 C ASP A 2 -20.131 5.764 5.276 1.00 3.20 C ATOM 14 O ASP A 2 -20.856 4.806 5.538 1.00 3.54 O ATOM 15 CB ASP A 2 -21.778 7.263 6.358 1.00 5.93 C ATOM 16 CG ASP A 2 -22.080 8.313 7.429 1.00 7.72 C ATOM 17 OD1 ASP A 2 -21.651 9.470 7.227 1.00 8.21 O ATOM 18 OD2 ASP A 2 -22.734 7.936 8.425 1.00 8.91 O ATOM 0 H ASP A 2 -19.117 8.774 5.625 1.00 5.06 H new ATOM 0 HA ASP A 2 -19.715 7.094 6.947 1.00 4.86 H new ATOM 0 HB2 ASP A 2 -22.311 7.532 5.446 1.00 5.93 H new ATOM 0 HB3 ASP A 2 -22.176 6.304 6.689 1.00 5.93 H new ATOM 23 N GLN A 3 -19.174 5.753 4.360 1.00 2.10 N ATOM 24 CA GLN A 3 -18.906 4.561 3.573 1.00 1.72 C ATOM 25 C GLN A 3 -17.431 4.170 3.688 1.00 1.66 C ATOM 26 O GLN A 3 -16.995 3.194 3.079 1.00 3.33 O ATOM 27 CB GLN A 3 -19.305 4.769 2.111 1.00 2.90 C ATOM 28 CG GLN A 3 -20.811 4.578 1.921 1.00 3.80 C ATOM 29 CD GLN A 3 -21.123 4.022 0.530 1.00 5.50 C ATOM 30 OE1 GLN A 3 -20.254 3.558 -0.190 1.00 6.21 O ATOM 31 NE2 GLN A 3 -22.407 4.095 0.194 1.00 6.63 N ATOM 0 H GLN A 3 -18.575 6.550 4.145 1.00 2.10 H new ATOM 0 HA GLN A 3 -19.510 3.744 3.968 1.00 1.72 H new ATOM 0 HB2 GLN A 3 -19.019 5.771 1.791 1.00 2.90 H new ATOM 0 HB3 GLN A 3 -18.763 4.066 1.479 1.00 2.90 H new ATOM 0 HG2 GLN A 3 -21.194 3.898 2.682 1.00 3.80 H new ATOM 0 HG3 GLN A 3 -21.322 5.531 2.059 1.00 3.80 H new ATOM 0 HE21 GLN A 3 -23.083 4.496 0.845 1.00 6.63 H new ATOM 0 HE22 GLN A 3 -22.717 3.750 -0.715 1.00 6.63 H new ATOM 40 N LEU A 4 -16.704 4.950 4.474 1.00 0.95 N ATOM 41 CA LEU A 4 -15.288 4.697 4.677 1.00 0.67 C ATOM 42 C LEU A 4 -14.486 5.405 3.583 1.00 0.80 C ATOM 43 O LEU A 4 -13.553 6.152 3.877 1.00 1.04 O ATOM 44 CB LEU A 4 -15.019 3.193 4.761 1.00 1.08 C ATOM 45 CG LEU A 4 -13.928 2.761 5.743 1.00 0.93 C ATOM 46 CD1 LEU A 4 -12.764 3.754 5.742 1.00 2.16 C ATOM 47 CD2 LEU A 4 -14.503 2.554 7.145 1.00 2.48 C ATOM 0 H LEU A 4 -17.069 5.758 4.978 1.00 0.95 H new ATOM 0 HA LEU A 4 -14.960 5.110 5.631 1.00 0.67 H new ATOM 0 HB2 LEU A 4 -15.947 2.693 5.037 1.00 1.08 H new ATOM 0 HB3 LEU A 4 -14.748 2.836 3.767 1.00 1.08 H new ATOM 0 HG LEU A 4 -13.532 1.801 5.412 1.00 0.93 H new ATOM 0 HD11 LEU A 4 -12.003 3.423 6.449 1.00 2.16 H new ATOM 0 HD12 LEU A 4 -12.333 3.808 4.742 1.00 2.16 H new ATOM 0 HD13 LEU A 4 -13.126 4.740 6.034 1.00 2.16 H new ATOM 0 HD21 LEU A 4 -13.707 2.247 7.823 1.00 2.48 H new ATOM 0 HD22 LEU A 4 -14.942 3.486 7.499 1.00 2.48 H new ATOM 0 HD23 LEU A 4 -15.270 1.780 7.113 1.00 2.48 H new ATOM 59 N THR A 5 -14.878 5.146 2.344 1.00 0.89 N ATOM 60 CA THR A 5 -14.207 5.749 1.205 1.00 1.18 C ATOM 61 C THR A 5 -13.705 7.149 1.562 1.00 0.83 C ATOM 62 O THR A 5 -12.531 7.460 1.367 1.00 0.68 O ATOM 63 CB THR A 5 -15.178 5.734 0.023 1.00 1.64 C ATOM 64 OG1 THR A 5 -15.200 4.371 -0.392 1.00 2.27 O ATOM 65 CG2 THR A 5 -14.631 6.485 -1.193 1.00 1.96 C ATOM 0 H THR A 5 -15.652 4.527 2.104 1.00 0.89 H new ATOM 0 HA THR A 5 -13.320 5.183 0.922 1.00 1.18 H new ATOM 0 HB THR A 5 -16.126 6.177 0.327 1.00 1.64 H new ATOM 0 HG1 THR A 5 -15.807 4.271 -1.154 1.00 2.27 H new ATOM 0 HG21 THR A 5 -15.359 6.444 -2.004 1.00 1.96 H new ATOM 0 HG22 THR A 5 -14.445 7.525 -0.925 1.00 1.96 H new ATOM 0 HG23 THR A 5 -13.699 6.022 -1.518 1.00 1.96 H new ATOM 73 N GLU A 6 -14.619 7.957 2.079 1.00 0.83 N ATOM 74 CA GLU A 6 -14.283 9.317 2.465 1.00 0.68 C ATOM 75 C GLU A 6 -13.227 9.309 3.572 1.00 0.45 C ATOM 76 O GLU A 6 -12.215 10.001 3.474 1.00 0.43 O ATOM 77 CB GLU A 6 -15.531 10.086 2.903 1.00 0.94 C ATOM 78 CG GLU A 6 -15.464 11.545 2.446 1.00 1.50 C ATOM 79 CD GLU A 6 -16.625 11.879 1.507 1.00 2.25 C ATOM 80 OE1 GLU A 6 -16.572 11.410 0.349 1.00 3.61 O ATOM 81 OE2 GLU A 6 -17.540 12.595 1.968 1.00 2.53 O ATOM 0 H GLU A 6 -15.592 7.696 2.240 1.00 0.83 H new ATOM 0 HA GLU A 6 -13.867 9.828 1.597 1.00 0.68 H new ATOM 0 HB2 GLU A 6 -16.420 9.611 2.487 1.00 0.94 H new ATOM 0 HB3 GLU A 6 -15.626 10.045 3.988 1.00 0.94 H new ATOM 0 HG2 GLU A 6 -15.493 12.203 3.314 1.00 1.50 H new ATOM 0 HG3 GLU A 6 -14.517 11.728 1.938 1.00 1.50 H new ATOM 88 N GLU A 7 -13.499 8.519 4.600 1.00 0.55 N ATOM 89 CA GLU A 7 -12.585 8.413 5.725 1.00 0.71 C ATOM 90 C GLU A 7 -11.230 7.877 5.258 1.00 0.73 C ATOM 91 O GLU A 7 -10.210 8.549 5.403 1.00 0.87 O ATOM 92 CB GLU A 7 -13.173 7.530 6.827 1.00 1.09 C ATOM 93 CG GLU A 7 -14.575 8.001 7.218 1.00 1.50 C ATOM 94 CD GLU A 7 -14.683 8.206 8.730 1.00 2.29 C ATOM 95 OE1 GLU A 7 -14.498 7.204 9.454 1.00 2.03 O ATOM 96 OE2 GLU A 7 -14.949 9.361 9.128 1.00 3.62 O ATOM 0 H GLU A 7 -14.339 7.946 4.678 1.00 0.55 H new ATOM 0 HA GLU A 7 -12.436 9.409 6.143 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -13.215 6.496 6.485 1.00 1.09 H new ATOM 0 HB3 GLU A 7 -12.522 7.551 7.701 1.00 1.09 H new ATOM 0 HG2 GLU A 7 -14.806 8.934 6.704 1.00 1.50 H new ATOM 0 HG3 GLU A 7 -15.313 7.267 6.893 1.00 1.50 H new ATOM 103 N GLN A 8 -11.263 6.673 4.707 1.00 0.71 N ATOM 104 CA GLN A 8 -10.050 6.040 4.218 1.00 0.74 C ATOM 105 C GLN A 8 -9.281 6.999 3.307 1.00 0.63 C ATOM 106 O GLN A 8 -8.077 7.187 3.473 1.00 0.80 O ATOM 107 CB GLN A 8 -10.369 4.731 3.492 1.00 0.82 C ATOM 108 CG GLN A 8 -11.142 4.996 2.198 1.00 3.05 C ATOM 109 CD GLN A 8 -11.582 3.685 1.545 1.00 4.81 C ATOM 110 OE1 GLN A 8 -11.319 3.421 0.383 1.00 6.23 O ATOM 111 NE2 GLN A 8 -12.266 2.880 2.353 1.00 5.28 N ATOM 0 H GLN A 8 -12.111 6.119 4.588 1.00 0.71 H new ATOM 0 HA GLN A 8 -9.419 5.798 5.073 1.00 0.74 H new ATOM 0 HB2 GLN A 8 -9.443 4.202 3.265 1.00 0.82 H new ATOM 0 HB3 GLN A 8 -10.955 4.083 4.144 1.00 0.82 H new ATOM 0 HG2 GLN A 8 -12.016 5.611 2.412 1.00 3.05 H new ATOM 0 HG3 GLN A 8 -10.517 5.560 1.505 1.00 3.05 H new ATOM 0 HE21 GLN A 8 -12.452 3.162 3.316 1.00 5.28 H new ATOM 0 HE22 GLN A 8 -12.605 1.981 2.010 1.00 5.28 H new ATOM 120 N ILE A 9 -10.008 7.580 2.365 1.00 0.44 N ATOM 121 CA ILE A 9 -9.409 8.516 1.427 1.00 0.42 C ATOM 122 C ILE A 9 -8.799 9.686 2.201 1.00 0.40 C ATOM 123 O ILE A 9 -7.795 10.257 1.779 1.00 0.47 O ATOM 124 CB ILE A 9 -10.430 8.942 0.370 1.00 0.52 C ATOM 125 CG1 ILE A 9 -10.746 7.788 -0.584 1.00 1.48 C ATOM 126 CG2 ILE A 9 -9.956 10.190 -0.377 1.00 2.01 C ATOM 127 CD1 ILE A 9 -9.585 7.540 -1.548 1.00 2.71 C ATOM 0 H ILE A 9 -11.007 7.421 2.230 1.00 0.44 H new ATOM 0 HA ILE A 9 -8.597 8.039 0.878 1.00 0.42 H new ATOM 0 HB ILE A 9 -11.359 9.203 0.877 1.00 0.52 H new ATOM 0 HG12 ILE A 9 -10.947 6.883 -0.011 1.00 1.48 H new ATOM 0 HG13 ILE A 9 -11.650 8.016 -1.149 1.00 1.48 H new ATOM 0 HG21 ILE A 9 -10.699 10.472 -1.123 1.00 2.01 H new ATOM 0 HG22 ILE A 9 -9.823 11.009 0.330 1.00 2.01 H new ATOM 0 HG23 ILE A 9 -9.008 9.980 -0.872 1.00 2.01 H new ATOM 0 HD11 ILE A 9 -9.836 6.715 -2.215 1.00 2.71 H new ATOM 0 HD12 ILE A 9 -9.402 8.439 -2.136 1.00 2.71 H new ATOM 0 HD13 ILE A 9 -8.689 7.289 -0.981 1.00 2.71 H new ATOM 139 N ALA A 10 -9.432 10.008 3.320 1.00 0.46 N ATOM 140 CA ALA A 10 -8.964 11.101 4.156 1.00 0.57 C ATOM 141 C ALA A 10 -7.547 10.793 4.643 1.00 0.62 C ATOM 142 O ALA A 10 -6.646 11.619 4.504 1.00 0.71 O ATOM 143 CB ALA A 10 -9.944 11.315 5.311 1.00 0.67 C ATOM 0 H ALA A 10 -10.264 9.532 3.667 1.00 0.46 H new ATOM 0 HA ALA A 10 -8.923 12.030 3.587 1.00 0.57 H new ATOM 0 HB1 ALA A 10 -9.594 12.135 5.938 1.00 0.67 H new ATOM 0 HB2 ALA A 10 -10.929 11.559 4.912 1.00 0.67 H new ATOM 0 HB3 ALA A 10 -10.009 10.404 5.907 1.00 0.67 H new ATOM 149 N GLU A 11 -7.394 9.602 5.205 1.00 0.70 N ATOM 150 CA GLU A 11 -6.102 9.176 5.714 1.00 0.82 C ATOM 151 C GLU A 11 -5.136 8.911 4.557 1.00 0.61 C ATOM 152 O GLU A 11 -3.996 9.371 4.578 1.00 0.61 O ATOM 153 CB GLU A 11 -6.244 7.938 6.602 1.00 1.09 C ATOM 154 CG GLU A 11 -5.501 8.126 7.927 1.00 1.74 C ATOM 155 CD GLU A 11 -4.796 6.835 8.348 1.00 2.78 C ATOM 156 OE1 GLU A 11 -3.631 6.662 7.931 1.00 4.19 O ATOM 157 OE2 GLU A 11 -5.439 6.050 9.078 1.00 2.98 O ATOM 0 H GLU A 11 -8.144 8.920 5.319 1.00 0.70 H new ATOM 0 HA GLU A 11 -5.693 9.979 6.327 1.00 0.82 H new ATOM 0 HB2 GLU A 11 -7.299 7.745 6.797 1.00 1.09 H new ATOM 0 HB3 GLU A 11 -5.851 7.065 6.081 1.00 1.09 H new ATOM 0 HG2 GLU A 11 -4.770 8.928 7.827 1.00 1.74 H new ATOM 0 HG3 GLU A 11 -6.204 8.430 8.702 1.00 1.74 H new ATOM 164 N PHE A 12 -5.629 8.171 3.574 1.00 0.53 N ATOM 165 CA PHE A 12 -4.824 7.840 2.410 1.00 0.50 C ATOM 166 C PHE A 12 -4.191 9.096 1.807 1.00 0.38 C ATOM 167 O PHE A 12 -3.014 9.091 1.449 1.00 0.48 O ATOM 168 CB PHE A 12 -5.765 7.212 1.380 1.00 0.64 C ATOM 169 CG PHE A 12 -5.428 5.760 1.034 1.00 1.23 C ATOM 170 CD1 PHE A 12 -5.673 4.772 1.936 1.00 1.50 C ATOM 171 CD2 PHE A 12 -4.885 5.458 -0.175 1.00 1.98 C ATOM 172 CE1 PHE A 12 -5.360 3.425 1.615 1.00 2.08 C ATOM 173 CE2 PHE A 12 -4.573 4.110 -0.496 1.00 2.67 C ATOM 174 CZ PHE A 12 -4.817 3.122 0.406 1.00 2.59 C ATOM 0 H PHE A 12 -6.576 7.791 3.560 1.00 0.53 H new ATOM 0 HA PHE A 12 -4.020 7.161 2.694 1.00 0.50 H new ATOM 0 HB2 PHE A 12 -6.786 7.257 1.760 1.00 0.64 H new ATOM 0 HB3 PHE A 12 -5.738 7.808 0.468 1.00 0.64 H new ATOM 0 HD1 PHE A 12 -6.105 5.012 2.896 1.00 1.50 H new ATOM 0 HD2 PHE A 12 -4.691 6.243 -0.891 1.00 1.98 H new ATOM 0 HE1 PHE A 12 -5.553 2.641 2.332 1.00 2.08 H new ATOM 0 HE2 PHE A 12 -4.142 3.870 -1.457 1.00 2.67 H new ATOM 0 HZ PHE A 12 -4.580 2.097 0.162 1.00 2.59 H new ATOM 184 N LYS A 13 -5.000 10.141 1.712 1.00 0.38 N ATOM 185 CA LYS A 13 -4.534 11.400 1.158 1.00 0.47 C ATOM 186 C LYS A 13 -3.175 11.749 1.768 1.00 0.51 C ATOM 187 O LYS A 13 -2.189 11.903 1.049 1.00 0.60 O ATOM 188 CB LYS A 13 -5.590 12.492 1.345 1.00 0.57 C ATOM 189 CG LYS A 13 -5.761 13.314 0.066 1.00 0.81 C ATOM 190 CD LYS A 13 -7.215 13.294 -0.408 1.00 1.30 C ATOM 191 CE LYS A 13 -7.521 14.508 -1.288 1.00 1.55 C ATOM 192 NZ LYS A 13 -8.276 15.526 -0.523 1.00 2.83 N ATOM 0 H LYS A 13 -5.976 10.141 2.010 1.00 0.38 H new ATOM 0 HA LYS A 13 -4.388 11.311 0.082 1.00 0.47 H new ATOM 0 HB2 LYS A 13 -6.542 12.039 1.620 1.00 0.57 H new ATOM 0 HB3 LYS A 13 -5.300 13.147 2.166 1.00 0.57 H new ATOM 0 HG2 LYS A 13 -5.447 14.342 0.246 1.00 0.81 H new ATOM 0 HG3 LYS A 13 -5.114 12.916 -0.716 1.00 0.81 H new ATOM 0 HD2 LYS A 13 -7.407 12.378 -0.967 1.00 1.30 H new ATOM 0 HD3 LYS A 13 -7.882 13.287 0.454 1.00 1.30 H new ATOM 0 HE2 LYS A 13 -6.591 14.939 -1.659 1.00 1.55 H new ATOM 0 HE3 LYS A 13 -8.098 14.197 -2.159 1.00 1.55 H new ATOM 0 HZ1 LYS A 13 -8.475 16.343 -1.135 1.00 2.83 H new ATOM 0 HZ2 LYS A 13 -9.172 15.116 -0.190 1.00 2.83 H new ATOM 0 HZ3 LYS A 13 -7.712 15.835 0.294 1.00 2.83 H new ATOM 206 N GLU A 14 -3.166 11.862 3.088 1.00 0.56 N ATOM 207 CA GLU A 14 -1.944 12.189 3.803 1.00 0.67 C ATOM 208 C GLU A 14 -0.965 11.015 3.746 1.00 0.57 C ATOM 209 O GLU A 14 0.238 11.212 3.584 1.00 0.60 O ATOM 210 CB GLU A 14 -2.244 12.584 5.250 1.00 0.90 C ATOM 211 CG GLU A 14 -1.938 14.064 5.490 1.00 1.32 C ATOM 212 CD GLU A 14 -2.135 14.433 6.962 1.00 2.24 C ATOM 213 OE1 GLU A 14 -3.276 14.260 7.443 1.00 3.64 O ATOM 214 OE2 GLU A 14 -1.140 14.879 7.573 1.00 2.43 O ATOM 0 H GLU A 14 -3.986 11.733 3.681 1.00 0.56 H new ATOM 0 HA GLU A 14 -1.480 13.047 3.316 1.00 0.67 H new ATOM 0 HB2 GLU A 14 -3.292 12.385 5.475 1.00 0.90 H new ATOM 0 HB3 GLU A 14 -1.650 11.972 5.928 1.00 0.90 H new ATOM 0 HG2 GLU A 14 -0.912 14.280 5.191 1.00 1.32 H new ATOM 0 HG3 GLU A 14 -2.588 14.679 4.867 1.00 1.32 H new ATOM 221 N ALA A 15 -1.518 9.818 3.883 1.00 0.56 N ATOM 222 CA ALA A 15 -0.708 8.612 3.850 1.00 0.62 C ATOM 223 C ALA A 15 0.142 8.608 2.578 1.00 0.52 C ATOM 224 O ALA A 15 1.361 8.457 2.643 1.00 0.54 O ATOM 225 CB ALA A 15 -1.617 7.385 3.948 1.00 0.82 C ATOM 0 H ALA A 15 -2.516 9.658 4.017 1.00 0.56 H new ATOM 0 HA ALA A 15 -0.027 8.583 4.701 1.00 0.62 H new ATOM 0 HB1 ALA A 15 -1.010 6.480 3.923 1.00 0.82 H new ATOM 0 HB2 ALA A 15 -2.177 7.421 4.882 1.00 0.82 H new ATOM 0 HB3 ALA A 15 -2.312 7.379 3.108 1.00 0.82 H new ATOM 231 N PHE A 16 -0.535 8.777 1.452 1.00 0.55 N ATOM 232 CA PHE A 16 0.143 8.795 0.167 1.00 0.68 C ATOM 233 C PHE A 16 1.541 9.403 0.293 1.00 0.64 C ATOM 234 O PHE A 16 2.521 8.817 -0.166 1.00 0.75 O ATOM 235 CB PHE A 16 -0.696 9.666 -0.770 1.00 0.84 C ATOM 236 CG PHE A 16 -0.354 9.496 -2.251 1.00 0.97 C ATOM 237 CD1 PHE A 16 -0.373 8.259 -2.816 1.00 0.72 C ATOM 238 CD2 PHE A 16 -0.029 10.582 -3.003 1.00 1.56 C ATOM 239 CE1 PHE A 16 -0.055 8.102 -4.191 1.00 0.98 C ATOM 240 CE2 PHE A 16 0.289 10.425 -4.378 1.00 1.82 C ATOM 241 CZ PHE A 16 0.269 9.188 -4.943 1.00 1.50 C ATOM 0 H PHE A 16 -1.546 8.903 1.403 1.00 0.55 H new ATOM 0 HA PHE A 16 0.251 7.778 -0.210 1.00 0.68 H new ATOM 0 HB2 PHE A 16 -1.750 9.430 -0.622 1.00 0.84 H new ATOM 0 HB3 PHE A 16 -0.561 10.712 -0.494 1.00 0.84 H new ATOM 0 HD1 PHE A 16 -0.630 7.396 -2.219 1.00 0.72 H new ATOM 0 HD2 PHE A 16 -0.013 11.564 -2.554 1.00 1.56 H new ATOM 0 HE1 PHE A 16 -0.070 7.120 -4.640 1.00 0.98 H new ATOM 0 HE2 PHE A 16 0.547 11.287 -4.975 1.00 1.82 H new ATOM 0 HZ PHE A 16 0.510 9.068 -5.989 1.00 1.50 H new ATOM 251 N SER A 17 1.590 10.570 0.918 1.00 0.61 N ATOM 252 CA SER A 17 2.852 11.264 1.110 1.00 0.70 C ATOM 253 C SER A 17 3.915 10.286 1.613 1.00 0.60 C ATOM 254 O SER A 17 4.938 10.086 0.959 1.00 0.58 O ATOM 255 CB SER A 17 2.696 12.429 2.091 1.00 0.79 C ATOM 256 OG SER A 17 3.887 13.203 2.193 1.00 1.55 O ATOM 0 H SER A 17 0.776 11.053 1.298 1.00 0.61 H new ATOM 0 HA SER A 17 3.168 11.672 0.150 1.00 0.70 H new ATOM 0 HB2 SER A 17 1.875 13.068 1.767 1.00 0.79 H new ATOM 0 HB3 SER A 17 2.430 12.042 3.075 1.00 0.79 H new ATOM 0 HG SER A 17 3.747 13.937 2.827 1.00 1.55 H new ATOM 262 N LEU A 18 3.638 9.703 2.770 1.00 0.58 N ATOM 263 CA LEU A 18 4.558 8.751 3.367 1.00 0.53 C ATOM 264 C LEU A 18 4.551 7.458 2.548 1.00 0.55 C ATOM 265 O LEU A 18 5.597 7.007 2.085 1.00 0.56 O ATOM 266 CB LEU A 18 4.229 8.543 4.847 1.00 0.55 C ATOM 267 CG LEU A 18 4.537 9.721 5.774 1.00 0.57 C ATOM 268 CD1 LEU A 18 4.009 9.459 7.186 1.00 0.79 C ATOM 269 CD2 LEU A 18 6.032 10.044 5.771 1.00 0.54 C ATOM 0 H LEU A 18 2.789 9.872 3.310 1.00 0.58 H new ATOM 0 HA LEU A 18 5.576 9.139 3.342 1.00 0.53 H new ATOM 0 HB2 LEU A 18 3.169 8.306 4.933 1.00 0.55 H new ATOM 0 HB3 LEU A 18 4.780 7.673 5.203 1.00 0.55 H new ATOM 0 HG LEU A 18 4.017 10.601 5.394 1.00 0.57 H new ATOM 0 HD11 LEU A 18 4.241 10.311 7.825 1.00 0.79 H new ATOM 0 HD12 LEU A 18 2.929 9.316 7.150 1.00 0.79 H new ATOM 0 HD13 LEU A 18 4.481 8.563 7.590 1.00 0.79 H new ATOM 0 HD21 LEU A 18 6.224 10.885 6.438 1.00 0.54 H new ATOM 0 HD22 LEU A 18 6.593 9.174 6.113 1.00 0.54 H new ATOM 0 HD23 LEU A 18 6.346 10.304 4.760 1.00 0.54 H new ATOM 281 N PHE A 19 3.359 6.899 2.396 1.00 0.63 N ATOM 282 CA PHE A 19 3.202 5.667 1.641 1.00 0.70 C ATOM 283 C PHE A 19 4.092 5.669 0.396 1.00 0.63 C ATOM 284 O PHE A 19 4.754 4.675 0.101 1.00 0.72 O ATOM 285 CB PHE A 19 1.737 5.593 1.206 1.00 0.81 C ATOM 286 CG PHE A 19 1.362 4.288 0.501 1.00 1.77 C ATOM 287 CD1 PHE A 19 1.775 3.097 1.011 1.00 2.53 C ATOM 288 CD2 PHE A 19 0.616 4.319 -0.636 1.00 3.25 C ATOM 289 CE1 PHE A 19 1.427 1.886 0.357 1.00 4.29 C ATOM 290 CE2 PHE A 19 0.268 3.107 -1.290 1.00 4.96 C ATOM 291 CZ PHE A 19 0.681 1.916 -0.779 1.00 5.34 C ATOM 0 H PHE A 19 2.494 7.276 2.782 1.00 0.63 H new ATOM 0 HA PHE A 19 3.487 4.814 2.257 1.00 0.70 H new ATOM 0 HB2 PHE A 19 1.102 5.716 2.083 1.00 0.81 H new ATOM 0 HB3 PHE A 19 1.524 6.428 0.539 1.00 0.81 H new ATOM 0 HD1 PHE A 19 2.368 3.072 1.913 1.00 2.53 H new ATOM 0 HD2 PHE A 19 0.288 5.265 -1.041 1.00 3.25 H new ATOM 0 HE1 PHE A 19 1.755 0.940 0.762 1.00 4.29 H new ATOM 0 HE2 PHE A 19 -0.324 3.131 -2.193 1.00 4.96 H new ATOM 0 HZ PHE A 19 0.416 0.994 -1.276 1.00 5.34 H new ATOM 301 N ASP A 20 4.080 6.797 -0.299 1.00 0.55 N ATOM 302 CA ASP A 20 4.877 6.941 -1.505 1.00 0.55 C ATOM 303 C ASP A 20 6.259 7.485 -1.135 1.00 0.63 C ATOM 304 O ASP A 20 6.417 8.683 -0.906 1.00 1.03 O ATOM 305 CB ASP A 20 4.228 7.924 -2.481 1.00 0.63 C ATOM 306 CG ASP A 20 4.643 7.753 -3.943 1.00 0.72 C ATOM 307 OD1 ASP A 20 5.673 7.081 -4.166 1.00 0.88 O ATOM 308 OD2 ASP A 20 3.921 8.299 -4.806 1.00 0.90 O ATOM 0 H ASP A 20 3.531 7.620 -0.050 1.00 0.55 H new ATOM 0 HA ASP A 20 4.953 5.962 -1.978 1.00 0.55 H new ATOM 0 HB2 ASP A 20 3.145 7.820 -2.412 1.00 0.63 H new ATOM 0 HB3 ASP A 20 4.471 8.939 -2.166 1.00 0.63 H new ATOM 313 N LYS A 21 7.224 6.578 -1.088 1.00 0.55 N ATOM 314 CA LYS A 21 8.586 6.952 -0.750 1.00 0.74 C ATOM 315 C LYS A 21 9.155 7.845 -1.855 1.00 0.72 C ATOM 316 O LYS A 21 9.445 9.018 -1.623 1.00 1.08 O ATOM 317 CB LYS A 21 9.430 5.707 -0.471 1.00 0.91 C ATOM 318 CG LYS A 21 8.745 4.798 0.552 1.00 0.82 C ATOM 319 CD LYS A 21 8.783 5.420 1.950 1.00 0.90 C ATOM 320 CE LYS A 21 7.679 4.841 2.838 1.00 1.19 C ATOM 321 NZ LYS A 21 7.599 5.585 4.115 1.00 1.70 N ATOM 0 H LYS A 21 7.089 5.585 -1.278 1.00 0.55 H new ATOM 0 HA LYS A 21 8.603 7.534 0.171 1.00 0.74 H new ATOM 0 HB2 LYS A 21 9.593 5.158 -1.399 1.00 0.91 H new ATOM 0 HB3 LYS A 21 10.411 6.004 -0.100 1.00 0.91 H new ATOM 0 HG2 LYS A 21 7.711 4.625 0.255 1.00 0.82 H new ATOM 0 HG3 LYS A 21 9.239 3.826 0.569 1.00 0.82 H new ATOM 0 HD2 LYS A 21 9.756 5.237 2.407 1.00 0.90 H new ATOM 0 HD3 LYS A 21 8.664 6.501 1.874 1.00 0.90 H new ATOM 0 HE2 LYS A 21 6.722 4.893 2.319 1.00 1.19 H new ATOM 0 HE3 LYS A 21 7.878 3.788 3.036 1.00 1.19 H new ATOM 0 HZ1 LYS A 21 6.845 5.180 4.706 1.00 1.70 H new ATOM 0 HZ2 LYS A 21 8.508 5.514 4.616 1.00 1.70 H new ATOM 0 HZ3 LYS A 21 7.388 6.585 3.922 1.00 1.70 H new ATOM 335 N ASP A 22 9.297 7.256 -3.033 1.00 0.64 N ATOM 336 CA ASP A 22 9.826 7.983 -4.174 1.00 0.79 C ATOM 337 C ASP A 22 8.982 9.237 -4.410 1.00 0.77 C ATOM 338 O ASP A 22 9.495 10.354 -4.359 1.00 1.16 O ATOM 339 CB ASP A 22 9.771 7.131 -5.444 1.00 0.94 C ATOM 340 CG ASP A 22 9.760 7.922 -6.754 1.00 2.47 C ATOM 341 OD1 ASP A 22 10.178 9.099 -6.709 1.00 3.58 O ATOM 342 OD2 ASP A 22 9.334 7.332 -7.770 1.00 3.03 O ATOM 0 H ASP A 22 9.055 6.283 -3.222 1.00 0.64 H new ATOM 0 HA ASP A 22 10.863 8.242 -3.958 1.00 0.79 H new ATOM 0 HB2 ASP A 22 10.629 6.459 -5.450 1.00 0.94 H new ATOM 0 HB3 ASP A 22 8.878 6.507 -5.406 1.00 0.94 H new ATOM 347 N GLY A 23 7.701 9.011 -4.663 1.00 0.49 N ATOM 348 CA GLY A 23 6.781 10.109 -4.906 1.00 0.61 C ATOM 349 C GLY A 23 6.596 10.347 -6.406 1.00 0.60 C ATOM 350 O GLY A 23 6.648 11.486 -6.868 1.00 0.77 O ATOM 0 H GLY A 23 7.279 8.084 -4.705 1.00 0.49 H new ATOM 0 HA2 GLY A 23 5.817 9.889 -4.447 1.00 0.61 H new ATOM 0 HA3 GLY A 23 7.159 11.016 -4.434 1.00 0.61 H new ATOM 354 N ASP A 24 6.384 9.255 -7.125 1.00 0.50 N ATOM 355 CA ASP A 24 6.192 9.331 -8.563 1.00 0.63 C ATOM 356 C ASP A 24 4.730 9.026 -8.894 1.00 0.67 C ATOM 357 O ASP A 24 4.293 9.221 -10.028 1.00 1.07 O ATOM 358 CB ASP A 24 7.065 8.306 -9.290 1.00 0.69 C ATOM 359 CG ASP A 24 6.838 6.852 -8.874 1.00 0.71 C ATOM 360 OD1 ASP A 24 6.334 6.656 -7.746 1.00 0.66 O ATOM 361 OD2 ASP A 24 7.174 5.968 -9.691 1.00 1.35 O ATOM 0 H ASP A 24 6.341 8.312 -6.738 1.00 0.50 H new ATOM 0 HA ASP A 24 6.467 10.334 -8.888 1.00 0.63 H new ATOM 0 HB2 ASP A 24 6.886 8.394 -10.362 1.00 0.69 H new ATOM 0 HB3 ASP A 24 8.112 8.557 -9.120 1.00 0.69 H new ATOM 366 N GLY A 25 4.014 8.554 -7.885 1.00 0.47 N ATOM 367 CA GLY A 25 2.610 8.220 -8.055 1.00 0.51 C ATOM 368 C GLY A 25 2.404 6.704 -8.070 1.00 0.54 C ATOM 369 O GLY A 25 1.406 6.215 -8.597 1.00 0.91 O ATOM 0 H GLY A 25 4.380 8.395 -6.946 1.00 0.47 H new ATOM 0 HA2 GLY A 25 2.027 8.662 -7.247 1.00 0.51 H new ATOM 0 HA3 GLY A 25 2.241 8.650 -8.986 1.00 0.51 H new ATOM 373 N THR A 26 3.364 6.003 -7.487 1.00 0.42 N ATOM 374 CA THR A 26 3.301 4.552 -7.427 1.00 0.42 C ATOM 375 C THR A 26 4.112 4.032 -6.239 1.00 0.39 C ATOM 376 O THR A 26 5.234 4.478 -6.005 1.00 0.46 O ATOM 377 CB THR A 26 3.775 4.003 -8.774 1.00 0.50 C ATOM 378 OG1 THR A 26 4.853 4.861 -9.139 1.00 1.04 O ATOM 379 CG2 THR A 26 2.744 4.206 -9.885 1.00 1.14 C ATOM 0 H THR A 26 4.191 6.412 -7.052 1.00 0.42 H new ATOM 0 HA THR A 26 2.281 4.206 -7.260 1.00 0.42 H new ATOM 0 HB THR A 26 3.996 2.940 -8.675 1.00 0.50 H new ATOM 0 HG1 THR A 26 5.409 5.040 -8.352 1.00 1.04 H new ATOM 0 HG21 THR A 26 3.131 3.799 -10.819 1.00 1.14 H new ATOM 0 HG22 THR A 26 1.819 3.694 -9.621 1.00 1.14 H new ATOM 0 HG23 THR A 26 2.546 5.271 -10.008 1.00 1.14 H new ATOM 387 N ILE A 27 3.512 3.095 -5.519 1.00 0.35 N ATOM 388 CA ILE A 27 4.165 2.508 -4.361 1.00 0.35 C ATOM 389 C ILE A 27 4.780 1.163 -4.753 1.00 0.33 C ATOM 390 O ILE A 27 4.093 0.143 -4.767 1.00 0.48 O ATOM 391 CB ILE A 27 3.190 2.419 -3.185 1.00 0.41 C ATOM 392 CG1 ILE A 27 3.082 3.762 -2.460 1.00 0.54 C ATOM 393 CG2 ILE A 27 3.580 1.285 -2.235 1.00 0.41 C ATOM 394 CD1 ILE A 27 2.189 4.733 -3.235 1.00 0.65 C ATOM 0 H ILE A 27 2.581 2.728 -5.715 1.00 0.35 H new ATOM 0 HA ILE A 27 4.982 3.145 -4.021 1.00 0.35 H new ATOM 0 HB ILE A 27 2.201 2.185 -3.578 1.00 0.41 H new ATOM 0 HG12 ILE A 27 2.676 3.608 -1.460 1.00 0.54 H new ATOM 0 HG13 ILE A 27 4.075 4.194 -2.338 1.00 0.54 H new ATOM 0 HG21 ILE A 27 2.871 1.243 -1.408 1.00 0.41 H new ATOM 0 HG22 ILE A 27 3.565 0.338 -2.774 1.00 0.41 H new ATOM 0 HG23 ILE A 27 4.582 1.465 -1.845 1.00 0.41 H new ATOM 0 HD11 ILE A 27 2.129 5.680 -2.698 1.00 0.65 H new ATOM 0 HD12 ILE A 27 2.611 4.904 -4.225 1.00 0.65 H new ATOM 0 HD13 ILE A 27 1.190 4.308 -3.334 1.00 0.65 H new ATOM 406 N THR A 28 6.067 1.205 -5.063 1.00 0.28 N ATOM 407 CA THR A 28 6.782 0.003 -5.455 1.00 0.29 C ATOM 408 C THR A 28 6.709 -1.047 -4.344 1.00 0.29 C ATOM 409 O THR A 28 6.503 -0.710 -3.179 1.00 0.37 O ATOM 410 CB THR A 28 8.213 0.401 -5.820 1.00 0.34 C ATOM 411 OG1 THR A 28 8.123 0.807 -7.184 1.00 0.55 O ATOM 412 CG2 THR A 28 9.165 -0.796 -5.850 1.00 0.49 C ATOM 0 H THR A 28 6.633 2.053 -5.051 1.00 0.28 H new ATOM 0 HA THR A 28 6.325 -0.461 -6.329 1.00 0.29 H new ATOM 0 HB THR A 28 8.578 1.137 -5.104 1.00 0.34 H new ATOM 0 HG1 THR A 28 9.008 1.084 -7.502 1.00 0.55 H new ATOM 0 HG21 THR A 28 10.167 -0.458 -6.114 1.00 0.49 H new ATOM 0 HG22 THR A 28 9.189 -1.267 -4.867 1.00 0.49 H new ATOM 0 HG23 THR A 28 8.819 -1.518 -6.590 1.00 0.49 H new ATOM 420 N THR A 29 6.882 -2.298 -4.744 1.00 0.34 N ATOM 421 CA THR A 29 6.838 -3.400 -3.797 1.00 0.40 C ATOM 422 C THR A 29 7.783 -3.132 -2.624 1.00 0.42 C ATOM 423 O THR A 29 7.381 -3.226 -1.465 1.00 0.42 O ATOM 424 CB THR A 29 7.160 -4.689 -4.556 1.00 0.49 C ATOM 425 OG1 THR A 29 8.387 -4.403 -5.220 1.00 0.67 O ATOM 426 CG2 THR A 29 6.174 -4.960 -5.694 1.00 0.50 C ATOM 0 H THR A 29 7.053 -2.573 -5.711 1.00 0.34 H new ATOM 0 HA THR A 29 5.846 -3.505 -3.357 1.00 0.40 H new ATOM 0 HB THR A 29 7.154 -5.530 -3.863 1.00 0.49 H new ATOM 0 HG1 THR A 29 8.670 -5.187 -5.735 1.00 0.67 H new ATOM 0 HG21 THR A 29 6.448 -5.886 -6.200 1.00 0.50 H new ATOM 0 HG22 THR A 29 5.167 -5.052 -5.288 1.00 0.50 H new ATOM 0 HG23 THR A 29 6.204 -4.135 -6.406 1.00 0.50 H new ATOM 434 N LYS A 30 9.020 -2.805 -2.966 1.00 0.55 N ATOM 435 CA LYS A 30 10.026 -2.523 -1.955 1.00 0.68 C ATOM 436 C LYS A 30 9.621 -1.272 -1.174 1.00 0.66 C ATOM 437 O LYS A 30 9.933 -1.147 0.009 1.00 0.70 O ATOM 438 CB LYS A 30 11.414 -2.429 -2.592 1.00 0.94 C ATOM 439 CG LYS A 30 11.697 -1.007 -3.081 1.00 0.95 C ATOM 440 CD LYS A 30 12.674 -1.016 -4.259 1.00 0.99 C ATOM 441 CE LYS A 30 13.778 0.024 -4.063 1.00 1.82 C ATOM 442 NZ LYS A 30 15.074 -0.497 -4.552 1.00 2.40 N ATOM 0 H LYS A 30 9.349 -2.729 -3.928 1.00 0.55 H new ATOM 0 HA LYS A 30 10.085 -3.341 -1.237 1.00 0.68 H new ATOM 0 HB2 LYS A 30 12.172 -2.726 -1.867 1.00 0.94 H new ATOM 0 HB3 LYS A 30 11.483 -3.125 -3.428 1.00 0.94 H new ATOM 0 HG2 LYS A 30 10.764 -0.530 -3.381 1.00 0.95 H new ATOM 0 HG3 LYS A 30 12.111 -0.414 -2.265 1.00 0.95 H new ATOM 0 HD2 LYS A 30 13.117 -2.007 -4.361 1.00 0.99 H new ATOM 0 HD3 LYS A 30 12.136 -0.810 -5.184 1.00 0.99 H new ATOM 0 HE2 LYS A 30 13.522 0.939 -4.597 1.00 1.82 H new ATOM 0 HE3 LYS A 30 13.859 0.283 -3.007 1.00 1.82 H new ATOM 0 HZ1 LYS A 30 15.812 0.222 -4.411 1.00 2.40 H new ATOM 0 HZ2 LYS A 30 15.324 -1.358 -4.024 1.00 2.40 H new ATOM 0 HZ3 LYS A 30 14.998 -0.722 -5.565 1.00 2.40 H new ATOM 456 N GLU A 31 8.933 -0.377 -1.868 1.00 0.66 N ATOM 457 CA GLU A 31 8.483 0.861 -1.253 1.00 0.70 C ATOM 458 C GLU A 31 7.450 0.567 -0.163 1.00 0.56 C ATOM 459 O GLU A 31 7.316 1.330 0.792 1.00 0.61 O ATOM 460 CB GLU A 31 7.915 1.819 -2.303 1.00 0.79 C ATOM 461 CG GLU A 31 9.009 2.731 -2.861 1.00 0.93 C ATOM 462 CD GLU A 31 8.422 3.764 -3.826 1.00 0.88 C ATOM 463 OE1 GLU A 31 8.050 4.851 -3.335 1.00 1.74 O ATOM 464 OE2 GLU A 31 8.359 3.442 -5.032 1.00 1.69 O ATOM 0 H GLU A 31 8.676 -0.484 -2.849 1.00 0.66 H new ATOM 0 HA GLU A 31 9.342 1.348 -0.791 1.00 0.70 H new ATOM 0 HB2 GLU A 31 7.463 1.249 -3.114 1.00 0.79 H new ATOM 0 HB3 GLU A 31 7.124 2.423 -1.859 1.00 0.79 H new ATOM 0 HG2 GLU A 31 9.516 3.240 -2.041 1.00 0.93 H new ATOM 0 HG3 GLU A 31 9.759 2.132 -3.376 1.00 0.93 H new ATOM 471 N LEU A 32 6.746 -0.541 -0.343 1.00 0.44 N ATOM 472 CA LEU A 32 5.729 -0.945 0.613 1.00 0.37 C ATOM 473 C LEU A 32 6.400 -1.324 1.935 1.00 0.35 C ATOM 474 O LEU A 32 6.041 -0.802 2.990 1.00 0.50 O ATOM 475 CB LEU A 32 4.853 -2.055 0.028 1.00 0.34 C ATOM 476 CG LEU A 32 3.902 -2.745 1.007 1.00 0.49 C ATOM 477 CD1 LEU A 32 2.916 -3.651 0.267 1.00 1.45 C ATOM 478 CD2 LEU A 32 4.679 -3.503 2.085 1.00 1.81 C ATOM 0 H LEU A 32 6.860 -1.171 -1.137 1.00 0.44 H new ATOM 0 HA LEU A 32 5.054 -0.116 0.823 1.00 0.37 H new ATOM 0 HB2 LEU A 32 4.262 -1.634 -0.785 1.00 0.34 H new ATOM 0 HB3 LEU A 32 5.504 -2.812 -0.410 1.00 0.34 H new ATOM 0 HG LEU A 32 3.317 -1.977 1.513 1.00 0.49 H new ATOM 0 HD11 LEU A 32 2.251 -4.129 0.986 1.00 1.45 H new ATOM 0 HD12 LEU A 32 2.327 -3.055 -0.430 1.00 1.45 H new ATOM 0 HD13 LEU A 32 3.466 -4.415 -0.283 1.00 1.45 H new ATOM 0 HD21 LEU A 32 3.979 -3.984 2.768 1.00 1.81 H new ATOM 0 HD22 LEU A 32 5.307 -4.260 1.616 1.00 1.81 H new ATOM 0 HD23 LEU A 32 5.306 -2.805 2.640 1.00 1.81 H new ATOM 490 N GLY A 33 7.363 -2.229 1.835 1.00 0.31 N ATOM 491 CA GLY A 33 8.087 -2.683 3.009 1.00 0.35 C ATOM 492 C GLY A 33 8.612 -1.499 3.823 1.00 0.37 C ATOM 493 O GLY A 33 8.714 -1.577 5.046 1.00 0.52 O ATOM 0 H GLY A 33 7.658 -2.660 0.959 1.00 0.31 H new ATOM 0 HA2 GLY A 33 7.432 -3.294 3.630 1.00 0.35 H new ATOM 0 HA3 GLY A 33 8.920 -3.317 2.704 1.00 0.35 H new ATOM 497 N THR A 34 8.931 -0.428 3.111 1.00 0.34 N ATOM 498 CA THR A 34 9.443 0.772 3.751 1.00 0.42 C ATOM 499 C THR A 34 8.424 1.316 4.755 1.00 0.43 C ATOM 500 O THR A 34 8.734 1.476 5.934 1.00 0.61 O ATOM 501 CB THR A 34 9.811 1.773 2.655 1.00 0.46 C ATOM 502 OG1 THR A 34 10.779 1.086 1.868 1.00 0.56 O ATOM 503 CG2 THR A 34 10.566 2.987 3.199 1.00 0.50 C ATOM 0 H THR A 34 8.845 -0.366 2.097 1.00 0.34 H new ATOM 0 HA THR A 34 10.342 0.559 4.330 1.00 0.42 H new ATOM 0 HB THR A 34 8.905 2.107 2.150 1.00 0.46 H new ATOM 0 HG1 THR A 34 10.324 0.512 1.217 1.00 0.56 H new ATOM 0 HG21 THR A 34 10.803 3.665 2.379 1.00 0.50 H new ATOM 0 HG22 THR A 34 9.945 3.504 3.930 1.00 0.50 H new ATOM 0 HG23 THR A 34 11.489 2.658 3.676 1.00 0.50 H new ATOM 511 N VAL A 35 7.230 1.586 4.249 1.00 0.36 N ATOM 512 CA VAL A 35 6.164 2.109 5.087 1.00 0.48 C ATOM 513 C VAL A 35 5.994 1.208 6.311 1.00 0.46 C ATOM 514 O VAL A 35 6.064 1.676 7.446 1.00 0.52 O ATOM 515 CB VAL A 35 4.879 2.255 4.268 1.00 0.58 C ATOM 516 CG1 VAL A 35 3.716 2.714 5.150 1.00 1.16 C ATOM 517 CG2 VAL A 35 5.085 3.210 3.091 1.00 1.41 C ATOM 0 H VAL A 35 6.977 1.453 3.270 1.00 0.36 H new ATOM 0 HA VAL A 35 6.417 3.105 5.450 1.00 0.48 H new ATOM 0 HB VAL A 35 4.626 1.275 3.864 1.00 0.58 H new ATOM 0 HG11 VAL A 35 2.815 2.810 4.544 1.00 1.16 H new ATOM 0 HG12 VAL A 35 3.546 1.981 5.939 1.00 1.16 H new ATOM 0 HG13 VAL A 35 3.957 3.679 5.597 1.00 1.16 H new ATOM 0 HG21 VAL A 35 4.157 3.296 2.526 1.00 1.41 H new ATOM 0 HG22 VAL A 35 5.374 4.192 3.466 1.00 1.41 H new ATOM 0 HG23 VAL A 35 5.871 2.823 2.442 1.00 1.41 H new ATOM 527 N MET A 36 5.773 -0.070 6.039 1.00 0.43 N ATOM 528 CA MET A 36 5.592 -1.041 7.104 1.00 0.45 C ATOM 529 C MET A 36 6.525 -0.745 8.281 1.00 0.53 C ATOM 530 O MET A 36 6.109 -0.803 9.437 1.00 0.60 O ATOM 531 CB MET A 36 5.877 -2.446 6.568 1.00 0.46 C ATOM 532 CG MET A 36 4.846 -2.848 5.511 1.00 0.52 C ATOM 533 SD MET A 36 3.343 -3.397 6.302 1.00 0.63 S ATOM 534 CE MET A 36 2.426 -1.866 6.321 1.00 1.97 C ATOM 0 H MET A 36 5.715 -0.455 5.096 1.00 0.43 H new ATOM 0 HA MET A 36 4.562 -0.978 7.456 1.00 0.45 H new ATOM 0 HB2 MET A 36 6.877 -2.479 6.137 1.00 0.46 H new ATOM 0 HB3 MET A 36 5.860 -3.163 7.389 1.00 0.46 H new ATOM 0 HG2 MET A 36 4.634 -2.002 4.857 1.00 0.52 H new ATOM 0 HG3 MET A 36 5.248 -3.643 4.883 1.00 0.52 H new ATOM 0 HE1 MET A 36 2.071 -1.667 7.332 1.00 1.97 H new ATOM 0 HE2 MET A 36 3.073 -1.051 5.997 1.00 1.97 H new ATOM 0 HE3 MET A 36 1.574 -1.944 5.646 1.00 1.97 H new ATOM 544 N ARG A 37 7.768 -0.435 7.945 1.00 0.71 N ATOM 545 CA ARG A 37 8.764 -0.130 8.958 1.00 0.91 C ATOM 546 C ARG A 37 8.331 1.089 9.776 1.00 1.06 C ATOM 547 O ARG A 37 8.323 1.045 11.006 1.00 1.28 O ATOM 548 CB ARG A 37 10.128 0.148 8.325 1.00 1.21 C ATOM 549 CG ARG A 37 10.662 -1.093 7.607 1.00 1.19 C ATOM 550 CD ARG A 37 12.177 -1.002 7.408 1.00 1.82 C ATOM 551 NE ARG A 37 12.489 -0.848 5.970 1.00 2.17 N ATOM 552 CZ ARG A 37 13.634 -0.332 5.501 1.00 2.80 C ATOM 553 NH1 ARG A 37 14.581 0.083 6.354 1.00 3.50 N ATOM 554 NH2 ARG A 37 13.831 -0.230 4.179 1.00 3.40 N ATOM 0 H ARG A 37 8.109 -0.388 6.985 1.00 0.71 H new ATOM 0 HA ARG A 37 8.850 -0.999 9.610 1.00 0.91 H new ATOM 0 HB2 ARG A 37 10.043 0.973 7.618 1.00 1.21 H new ATOM 0 HB3 ARG A 37 10.834 0.459 9.095 1.00 1.21 H new ATOM 0 HG2 ARG A 37 10.421 -1.985 8.186 1.00 1.19 H new ATOM 0 HG3 ARG A 37 10.170 -1.198 6.640 1.00 1.19 H new ATOM 0 HD2 ARG A 37 12.576 -0.156 7.968 1.00 1.82 H new ATOM 0 HD3 ARG A 37 12.658 -1.898 7.799 1.00 1.82 H new ATOM 0 HE ARG A 37 11.789 -1.153 5.293 1.00 2.17 H new ATOM 0 HH11 ARG A 37 14.430 0.006 7.360 1.00 3.50 H new ATOM 0 HH12 ARG A 37 15.452 0.476 5.997 1.00 3.50 H new ATOM 0 HH21 ARG A 37 13.110 -0.545 3.530 1.00 3.40 H new ATOM 0 HH22 ARG A 37 14.702 0.163 3.822 1.00 3.40 H new ATOM 568 N SER A 38 7.983 2.148 9.061 1.00 1.04 N ATOM 569 CA SER A 38 7.550 3.377 9.705 1.00 1.28 C ATOM 570 C SER A 38 6.643 3.053 10.894 1.00 1.22 C ATOM 571 O SER A 38 6.592 3.808 11.864 1.00 1.42 O ATOM 572 CB SER A 38 6.824 4.291 8.717 1.00 1.41 C ATOM 573 OG SER A 38 7.156 5.663 8.915 1.00 1.81 O ATOM 0 H SER A 38 7.992 2.181 8.042 1.00 1.04 H new ATOM 0 HA SER A 38 8.434 3.905 10.063 1.00 1.28 H new ATOM 0 HB2 SER A 38 7.080 4.000 7.698 1.00 1.41 H new ATOM 0 HB3 SER A 38 5.747 4.159 8.825 1.00 1.41 H new ATOM 0 HG SER A 38 6.673 6.214 8.264 1.00 1.81 H new ATOM 579 N LEU A 39 5.950 1.930 10.780 1.00 1.03 N ATOM 580 CA LEU A 39 5.047 1.497 11.833 1.00 1.09 C ATOM 581 C LEU A 39 5.856 0.844 12.955 1.00 1.08 C ATOM 582 O LEU A 39 5.678 1.174 14.127 1.00 1.66 O ATOM 583 CB LEU A 39 3.949 0.598 11.262 1.00 1.01 C ATOM 584 CG LEU A 39 2.922 1.284 10.359 1.00 1.16 C ATOM 585 CD1 LEU A 39 1.958 0.263 9.752 1.00 1.32 C ATOM 586 CD2 LEU A 39 2.184 2.392 11.112 1.00 1.33 C ATOM 0 H LEU A 39 5.995 1.306 9.974 1.00 1.03 H new ATOM 0 HA LEU A 39 4.531 2.353 12.268 1.00 1.09 H new ATOM 0 HB2 LEU A 39 4.422 -0.205 10.696 1.00 1.01 H new ATOM 0 HB3 LEU A 39 3.419 0.133 12.093 1.00 1.01 H new ATOM 0 HG LEU A 39 3.454 1.756 9.533 1.00 1.16 H new ATOM 0 HD11 LEU A 39 1.238 0.776 9.114 1.00 1.32 H new ATOM 0 HD12 LEU A 39 2.519 -0.459 9.158 1.00 1.32 H new ATOM 0 HD13 LEU A 39 1.429 -0.257 10.550 1.00 1.32 H new ATOM 0 HD21 LEU A 39 1.460 2.864 10.448 1.00 1.33 H new ATOM 0 HD22 LEU A 39 1.665 1.965 11.970 1.00 1.33 H new ATOM 0 HD23 LEU A 39 2.901 3.138 11.456 1.00 1.33 H new ATOM 598 N GLY A 40 6.728 -0.071 12.557 1.00 0.97 N ATOM 599 CA GLY A 40 7.565 -0.774 13.515 1.00 0.90 C ATOM 600 C GLY A 40 7.697 -2.253 13.146 1.00 0.96 C ATOM 601 O GLY A 40 7.600 -3.123 14.009 1.00 1.87 O ATOM 0 H GLY A 40 6.873 -0.342 11.584 1.00 0.97 H new ATOM 0 HA2 GLY A 40 8.553 -0.314 13.547 1.00 0.90 H new ATOM 0 HA3 GLY A 40 7.138 -0.681 14.513 1.00 0.90 H new ATOM 605 N GLN A 41 7.918 -2.491 11.861 1.00 0.74 N ATOM 606 CA GLN A 41 8.066 -3.850 11.367 1.00 0.71 C ATOM 607 C GLN A 41 9.252 -3.939 10.405 1.00 0.89 C ATOM 608 O GLN A 41 9.879 -2.928 10.091 1.00 1.82 O ATOM 609 CB GLN A 41 6.778 -4.331 10.695 1.00 0.61 C ATOM 610 CG GLN A 41 5.767 -4.820 11.735 1.00 1.38 C ATOM 611 CD GLN A 41 4.965 -6.009 11.202 1.00 2.15 C ATOM 612 OE1 GLN A 41 5.506 -7.006 10.755 1.00 3.05 O ATOM 613 NE2 GLN A 41 3.646 -5.848 11.276 1.00 2.74 N ATOM 0 H GLN A 41 7.998 -1.766 11.148 1.00 0.74 H new ATOM 0 HA GLN A 41 8.262 -4.505 12.216 1.00 0.71 H new ATOM 0 HB2 GLN A 41 6.342 -3.519 10.113 1.00 0.61 H new ATOM 0 HB3 GLN A 41 7.006 -5.137 9.997 1.00 0.61 H new ATOM 0 HG2 GLN A 41 6.289 -5.108 12.647 1.00 1.38 H new ATOM 0 HG3 GLN A 41 5.089 -4.008 11.998 1.00 1.38 H new ATOM 0 HE21 GLN A 41 3.258 -4.987 11.662 1.00 2.74 H new ATOM 0 HE22 GLN A 41 3.023 -6.585 10.947 1.00 2.74 H new ATOM 622 N ASN A 42 9.526 -5.158 9.964 1.00 0.73 N ATOM 623 CA ASN A 42 10.626 -5.392 9.045 1.00 0.75 C ATOM 624 C ASN A 42 10.382 -6.698 8.286 1.00 0.70 C ATOM 625 O ASN A 42 11.153 -7.648 8.413 1.00 0.71 O ATOM 626 CB ASN A 42 11.953 -5.523 9.795 1.00 0.85 C ATOM 627 CG ASN A 42 12.865 -4.329 9.508 1.00 1.18 C ATOM 628 OD1 ASN A 42 13.961 -4.463 8.989 1.00 1.76 O ATOM 629 ND2 ASN A 42 12.354 -3.157 9.872 1.00 1.32 N ATOM 0 H ASN A 42 9.005 -5.994 10.227 1.00 0.73 H new ATOM 0 HA ASN A 42 10.680 -4.544 8.362 1.00 0.75 H new ATOM 0 HB2 ASN A 42 11.764 -5.592 10.866 1.00 0.85 H new ATOM 0 HB3 ASN A 42 12.452 -6.446 9.500 1.00 0.85 H new ATOM 0 HD21 ASN A 42 12.886 -2.300 9.721 1.00 1.32 H new ATOM 0 HD22 ASN A 42 11.430 -3.115 10.302 1.00 1.32 H new ATOM 636 N PRO A 43 9.277 -6.704 7.493 1.00 0.69 N ATOM 637 CA PRO A 43 8.921 -7.877 6.714 1.00 0.70 C ATOM 638 C PRO A 43 9.837 -8.026 5.497 1.00 0.74 C ATOM 639 O PRO A 43 10.691 -7.176 5.252 1.00 0.79 O ATOM 640 CB PRO A 43 7.463 -7.673 6.338 1.00 0.73 C ATOM 641 CG PRO A 43 7.189 -6.189 6.520 1.00 0.74 C ATOM 642 CD PRO A 43 8.340 -5.598 7.318 1.00 0.72 C ATOM 0 HA PRO A 43 9.048 -8.805 7.271 1.00 0.70 H new ATOM 0 HB2 PRO A 43 7.278 -7.981 5.309 1.00 0.73 H new ATOM 0 HB3 PRO A 43 6.809 -8.272 6.972 1.00 0.73 H new ATOM 0 HG2 PRO A 43 7.102 -5.695 5.552 1.00 0.74 H new ATOM 0 HG3 PRO A 43 6.244 -6.036 7.042 1.00 0.74 H new ATOM 0 HD2 PRO A 43 8.804 -4.766 6.787 1.00 0.72 H new ATOM 0 HD3 PRO A 43 7.999 -5.212 8.279 1.00 0.72 H new ATOM 650 N THR A 44 9.628 -9.112 4.768 1.00 0.76 N ATOM 651 CA THR A 44 10.424 -9.383 3.583 1.00 0.82 C ATOM 652 C THR A 44 9.645 -9.009 2.321 1.00 0.74 C ATOM 653 O THR A 44 8.444 -9.258 2.231 1.00 0.75 O ATOM 654 CB THR A 44 10.846 -10.853 3.624 1.00 0.91 C ATOM 655 OG1 THR A 44 9.755 -11.511 4.261 1.00 0.86 O ATOM 656 CG2 THR A 44 12.029 -11.097 4.564 1.00 1.00 C ATOM 0 H THR A 44 8.919 -9.815 4.975 1.00 0.76 H new ATOM 0 HA THR A 44 11.326 -8.771 3.563 1.00 0.82 H new ATOM 0 HB THR A 44 11.107 -11.183 2.619 1.00 0.91 H new ATOM 0 HG1 THR A 44 9.945 -12.470 4.327 1.00 0.86 H new ATOM 0 HG21 THR A 44 12.288 -12.156 4.556 1.00 1.00 H new ATOM 0 HG22 THR A 44 12.886 -10.511 4.230 1.00 1.00 H new ATOM 0 HG23 THR A 44 11.757 -10.798 5.576 1.00 1.00 H new ATOM 664 N GLU A 45 10.361 -8.418 1.376 1.00 0.69 N ATOM 665 CA GLU A 45 9.753 -8.007 0.122 1.00 0.62 C ATOM 666 C GLU A 45 9.155 -9.216 -0.599 1.00 0.61 C ATOM 667 O GLU A 45 8.297 -9.064 -1.467 1.00 0.56 O ATOM 668 CB GLU A 45 10.765 -7.282 -0.767 1.00 0.64 C ATOM 669 CG GLU A 45 11.879 -8.231 -1.214 1.00 0.72 C ATOM 670 CD GLU A 45 13.079 -7.450 -1.755 1.00 1.29 C ATOM 671 OE1 GLU A 45 13.013 -7.057 -2.940 1.00 2.44 O ATOM 672 OE2 GLU A 45 14.035 -7.264 -0.972 1.00 2.26 O ATOM 0 H GLU A 45 11.357 -8.214 1.454 1.00 0.69 H new ATOM 0 HA GLU A 45 8.948 -7.306 0.343 1.00 0.62 H new ATOM 0 HB2 GLU A 45 10.259 -6.872 -1.641 1.00 0.64 H new ATOM 0 HB3 GLU A 45 11.195 -6.441 -0.224 1.00 0.64 H new ATOM 0 HG2 GLU A 45 12.193 -8.851 -0.374 1.00 0.72 H new ATOM 0 HG3 GLU A 45 11.501 -8.904 -1.984 1.00 0.72 H new ATOM 679 N ALA A 46 9.634 -10.390 -0.214 1.00 0.67 N ATOM 680 CA ALA A 46 9.158 -11.625 -0.814 1.00 0.69 C ATOM 681 C ALA A 46 7.706 -11.865 -0.394 1.00 0.66 C ATOM 682 O ALA A 46 6.816 -11.942 -1.240 1.00 0.63 O ATOM 683 CB ALA A 46 10.079 -12.778 -0.409 1.00 0.78 C ATOM 0 H ALA A 46 10.346 -10.512 0.506 1.00 0.67 H new ATOM 0 HA ALA A 46 9.180 -11.556 -1.902 1.00 0.69 H new ATOM 0 HB1 ALA A 46 9.722 -13.704 -0.859 1.00 0.78 H new ATOM 0 HB2 ALA A 46 11.092 -12.573 -0.755 1.00 0.78 H new ATOM 0 HB3 ALA A 46 10.080 -12.879 0.676 1.00 0.78 H new ATOM 689 N GLU A 47 7.511 -11.975 0.912 1.00 0.69 N ATOM 690 CA GLU A 47 6.183 -12.203 1.454 1.00 0.68 C ATOM 691 C GLU A 47 5.204 -11.155 0.920 1.00 0.62 C ATOM 692 O GLU A 47 4.073 -11.481 0.564 1.00 0.62 O ATOM 693 CB GLU A 47 6.207 -12.202 2.984 1.00 0.70 C ATOM 694 CG GLU A 47 6.667 -13.557 3.525 1.00 0.78 C ATOM 695 CD GLU A 47 5.490 -14.528 3.647 1.00 1.22 C ATOM 696 OE1 GLU A 47 4.690 -14.573 2.688 1.00 2.04 O ATOM 697 OE2 GLU A 47 5.418 -15.202 4.697 1.00 1.84 O ATOM 0 H GLU A 47 8.251 -11.910 1.611 1.00 0.69 H new ATOM 0 HA GLU A 47 5.844 -13.187 1.130 1.00 0.68 H new ATOM 0 HB2 GLU A 47 6.875 -11.418 3.340 1.00 0.70 H new ATOM 0 HB3 GLU A 47 5.213 -11.972 3.367 1.00 0.70 H new ATOM 0 HG2 GLU A 47 7.424 -13.979 2.863 1.00 0.78 H new ATOM 0 HG3 GLU A 47 7.135 -13.423 4.500 1.00 0.78 H new ATOM 704 N LEU A 48 5.675 -9.917 0.883 1.00 0.59 N ATOM 705 CA LEU A 48 4.856 -8.819 0.399 1.00 0.54 C ATOM 706 C LEU A 48 4.673 -8.953 -1.114 1.00 0.50 C ATOM 707 O LEU A 48 3.680 -8.483 -1.667 1.00 0.48 O ATOM 708 CB LEU A 48 5.450 -7.477 0.830 1.00 0.54 C ATOM 709 CG LEU A 48 5.099 -7.011 2.244 1.00 0.60 C ATOM 710 CD1 LEU A 48 3.595 -6.770 2.384 1.00 0.62 C ATOM 711 CD2 LEU A 48 5.621 -7.995 3.292 1.00 0.76 C ATOM 0 H LEU A 48 6.614 -9.650 1.180 1.00 0.59 H new ATOM 0 HA LEU A 48 3.862 -8.860 0.845 1.00 0.54 H new ATOM 0 HB2 LEU A 48 6.535 -7.540 0.748 1.00 0.54 H new ATOM 0 HB3 LEU A 48 5.121 -6.713 0.125 1.00 0.54 H new ATOM 0 HG LEU A 48 5.596 -6.058 2.422 1.00 0.60 H new ATOM 0 HD11 LEU A 48 3.372 -6.440 3.399 1.00 0.62 H new ATOM 0 HD12 LEU A 48 3.282 -6.003 1.676 1.00 0.62 H new ATOM 0 HD13 LEU A 48 3.057 -7.696 2.178 1.00 0.62 H new ATOM 0 HD21 LEU A 48 5.358 -7.639 4.288 1.00 0.76 H new ATOM 0 HD22 LEU A 48 5.173 -8.975 3.126 1.00 0.76 H new ATOM 0 HD23 LEU A 48 6.705 -8.073 3.210 1.00 0.76 H new ATOM 723 N GLN A 49 5.646 -9.597 -1.741 1.00 0.49 N ATOM 724 CA GLN A 49 5.605 -9.799 -3.180 1.00 0.46 C ATOM 725 C GLN A 49 4.268 -10.420 -3.590 1.00 0.45 C ATOM 726 O GLN A 49 3.711 -10.070 -4.629 1.00 0.40 O ATOM 727 CB GLN A 49 6.777 -10.665 -3.646 1.00 0.54 C ATOM 728 CG GLN A 49 6.988 -10.536 -5.155 1.00 0.50 C ATOM 729 CD GLN A 49 8.161 -11.402 -5.621 1.00 0.74 C ATOM 730 OE1 GLN A 49 9.316 -11.135 -5.334 1.00 1.03 O ATOM 731 NE2 GLN A 49 7.800 -12.450 -6.355 1.00 2.10 N ATOM 0 H GLN A 49 6.468 -9.986 -1.279 1.00 0.49 H new ATOM 0 HA GLN A 49 5.698 -8.828 -3.667 1.00 0.46 H new ATOM 0 HB2 GLN A 49 7.685 -10.367 -3.122 1.00 0.54 H new ATOM 0 HB3 GLN A 49 6.588 -11.707 -3.389 1.00 0.54 H new ATOM 0 HG2 GLN A 49 6.080 -10.834 -5.680 1.00 0.50 H new ATOM 0 HG3 GLN A 49 7.176 -9.494 -5.412 1.00 0.50 H new ATOM 0 HE21 GLN A 49 6.814 -12.615 -6.558 1.00 2.10 H new ATOM 0 HE22 GLN A 49 8.509 -13.089 -6.715 1.00 2.10 H new ATOM 740 N ASP A 50 3.792 -11.330 -2.753 1.00 0.52 N ATOM 741 CA ASP A 50 2.531 -12.002 -3.016 1.00 0.56 C ATOM 742 C ASP A 50 1.379 -11.019 -2.800 1.00 0.50 C ATOM 743 O ASP A 50 0.353 -11.103 -3.472 1.00 0.52 O ATOM 744 CB ASP A 50 2.329 -13.184 -2.066 1.00 0.67 C ATOM 745 CG ASP A 50 1.417 -14.292 -2.597 1.00 0.93 C ATOM 746 OD1 ASP A 50 0.917 -14.121 -3.730 1.00 2.23 O ATOM 747 OD2 ASP A 50 1.239 -15.284 -1.858 1.00 1.69 O ATOM 0 H ASP A 50 4.257 -11.618 -1.892 1.00 0.52 H new ATOM 0 HA ASP A 50 2.550 -12.364 -4.044 1.00 0.56 H new ATOM 0 HB2 ASP A 50 3.303 -13.615 -1.835 1.00 0.67 H new ATOM 0 HB3 ASP A 50 1.915 -12.811 -1.129 1.00 0.67 H new ATOM 752 N MET A 51 1.589 -10.109 -1.860 1.00 0.47 N ATOM 753 CA MET A 51 0.580 -9.111 -1.547 1.00 0.44 C ATOM 754 C MET A 51 0.443 -8.095 -2.683 1.00 0.39 C ATOM 755 O MET A 51 -0.633 -7.943 -3.258 1.00 0.42 O ATOM 756 CB MET A 51 0.964 -8.385 -0.256 1.00 0.44 C ATOM 757 CG MET A 51 0.661 -9.249 0.970 1.00 0.58 C ATOM 758 SD MET A 51 -0.537 -8.432 2.011 1.00 1.21 S ATOM 759 CE MET A 51 0.518 -7.245 2.825 1.00 2.81 C ATOM 0 H MET A 51 2.442 -10.042 -1.305 1.00 0.47 H new ATOM 0 HA MET A 51 -0.377 -9.616 -1.419 1.00 0.44 H new ATOM 0 HB2 MET A 51 2.025 -8.136 -0.276 1.00 0.44 H new ATOM 0 HB3 MET A 51 0.417 -7.445 -0.187 1.00 0.44 H new ATOM 0 HG2 MET A 51 0.279 -10.220 0.655 1.00 0.58 H new ATOM 0 HG3 MET A 51 1.577 -9.433 1.531 1.00 0.58 H new ATOM 0 HE1 MET A 51 -0.091 -6.444 3.245 1.00 2.81 H new ATOM 0 HE2 MET A 51 1.071 -7.738 3.625 1.00 2.81 H new ATOM 0 HE3 MET A 51 1.220 -6.827 2.103 1.00 2.81 H new ATOM 769 N ILE A 52 1.550 -7.426 -2.972 1.00 0.33 N ATOM 770 CA ILE A 52 1.567 -6.429 -4.028 1.00 0.30 C ATOM 771 C ILE A 52 0.887 -7.000 -5.274 1.00 0.33 C ATOM 772 O ILE A 52 0.033 -6.349 -5.873 1.00 0.33 O ATOM 773 CB ILE A 52 2.994 -5.937 -4.278 1.00 0.30 C ATOM 774 CG1 ILE A 52 3.943 -7.111 -4.529 1.00 0.29 C ATOM 775 CG2 ILE A 52 3.475 -5.046 -3.131 1.00 0.34 C ATOM 776 CD1 ILE A 52 4.057 -7.413 -6.024 1.00 0.30 C ATOM 0 H ILE A 52 2.441 -7.555 -2.493 1.00 0.33 H new ATOM 0 HA ILE A 52 0.998 -5.548 -3.729 1.00 0.30 H new ATOM 0 HB ILE A 52 2.992 -5.327 -5.181 1.00 0.30 H new ATOM 0 HG12 ILE A 52 4.928 -6.880 -4.125 1.00 0.29 H new ATOM 0 HG13 ILE A 52 3.582 -7.994 -4.002 1.00 0.29 H new ATOM 0 HG21 ILE A 52 4.492 -4.710 -3.333 1.00 0.34 H new ATOM 0 HG22 ILE A 52 2.818 -4.181 -3.042 1.00 0.34 H new ATOM 0 HG23 ILE A 52 3.459 -5.612 -2.199 1.00 0.34 H new ATOM 0 HD11 ILE A 52 4.737 -8.251 -6.175 1.00 0.30 H new ATOM 0 HD12 ILE A 52 3.074 -7.668 -6.420 1.00 0.30 H new ATOM 0 HD13 ILE A 52 4.441 -6.536 -6.544 1.00 0.30 H new ATOM 788 N ASN A 53 1.291 -8.212 -5.627 1.00 0.42 N ATOM 789 CA ASN A 53 0.731 -8.878 -6.790 1.00 0.48 C ATOM 790 C ASN A 53 -0.775 -9.061 -6.593 1.00 0.50 C ATOM 791 O ASN A 53 -1.545 -8.969 -7.547 1.00 0.56 O ATOM 792 CB ASN A 53 1.354 -10.262 -6.984 1.00 0.58 C ATOM 793 CG ASN A 53 0.853 -10.912 -8.276 1.00 1.19 C ATOM 794 OD1 ASN A 53 -0.335 -11.001 -8.537 1.00 2.13 O ATOM 795 ND2 ASN A 53 1.824 -11.360 -9.067 1.00 1.65 N ATOM 0 H ASN A 53 2.000 -8.750 -5.128 1.00 0.42 H new ATOM 0 HA ASN A 53 0.940 -8.262 -7.664 1.00 0.48 H new ATOM 0 HB2 ASN A 53 2.440 -10.175 -7.014 1.00 0.58 H new ATOM 0 HB3 ASN A 53 1.108 -10.898 -6.134 1.00 0.58 H new ATOM 0 HD21 ASN A 53 1.593 -11.810 -9.953 1.00 1.65 H new ATOM 0 HD22 ASN A 53 2.799 -11.253 -8.788 1.00 1.65 H new ATOM 802 N GLU A 54 -1.150 -9.315 -5.347 1.00 0.47 N ATOM 803 CA GLU A 54 -2.550 -9.511 -5.012 1.00 0.51 C ATOM 804 C GLU A 54 -3.313 -8.190 -5.126 1.00 0.43 C ATOM 805 O GLU A 54 -4.275 -8.088 -5.885 1.00 0.51 O ATOM 806 CB GLU A 54 -2.700 -10.112 -3.614 1.00 0.55 C ATOM 807 CG GLU A 54 -4.174 -10.218 -3.218 1.00 0.55 C ATOM 808 CD GLU A 54 -4.785 -11.527 -3.723 1.00 1.11 C ATOM 809 OE1 GLU A 54 -4.509 -12.565 -3.085 1.00 1.46 O ATOM 810 OE2 GLU A 54 -5.514 -11.459 -4.736 1.00 2.36 O ATOM 0 H GLU A 54 -0.508 -9.389 -4.558 1.00 0.47 H new ATOM 0 HA GLU A 54 -2.978 -10.218 -5.723 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -2.241 -11.100 -3.588 1.00 0.55 H new ATOM 0 HB3 GLU A 54 -2.169 -9.494 -2.890 1.00 0.55 H new ATOM 0 HG2 GLU A 54 -4.268 -10.163 -2.133 1.00 0.55 H new ATOM 0 HG3 GLU A 54 -4.726 -9.373 -3.629 1.00 0.55 H new ATOM 817 N VAL A 55 -2.854 -7.211 -4.360 1.00 0.34 N ATOM 818 CA VAL A 55 -3.482 -5.900 -4.365 1.00 0.34 C ATOM 819 C VAL A 55 -3.421 -5.316 -5.778 1.00 0.42 C ATOM 820 O VAL A 55 -4.260 -4.498 -6.152 1.00 0.80 O ATOM 821 CB VAL A 55 -2.823 -5.001 -3.317 1.00 0.32 C ATOM 822 CG1 VAL A 55 -2.650 -5.741 -1.990 1.00 0.37 C ATOM 823 CG2 VAL A 55 -1.483 -4.461 -3.823 1.00 0.32 C ATOM 0 H VAL A 55 -2.055 -7.299 -3.732 1.00 0.34 H new ATOM 0 HA VAL A 55 -4.534 -5.979 -4.091 1.00 0.34 H new ATOM 0 HB VAL A 55 -3.483 -4.151 -3.142 1.00 0.32 H new ATOM 0 HG11 VAL A 55 -2.179 -5.079 -1.263 1.00 0.37 H new ATOM 0 HG12 VAL A 55 -3.626 -6.054 -1.618 1.00 0.37 H new ATOM 0 HG13 VAL A 55 -2.021 -6.618 -2.142 1.00 0.37 H new ATOM 0 HG21 VAL A 55 -1.035 -3.825 -3.059 1.00 0.32 H new ATOM 0 HG22 VAL A 55 -0.814 -5.294 -4.040 1.00 0.32 H new ATOM 0 HG23 VAL A 55 -1.644 -3.879 -4.731 1.00 0.32 H new ATOM 833 N ASP A 56 -2.421 -5.760 -6.525 1.00 0.26 N ATOM 834 CA ASP A 56 -2.240 -5.291 -7.888 1.00 0.29 C ATOM 835 C ASP A 56 -3.236 -6.005 -8.804 1.00 0.28 C ATOM 836 O ASP A 56 -3.099 -7.199 -9.066 1.00 0.37 O ATOM 837 CB ASP A 56 -0.829 -5.598 -8.394 1.00 0.41 C ATOM 838 CG ASP A 56 -0.548 -5.162 -9.833 1.00 0.56 C ATOM 839 OD1 ASP A 56 -0.974 -5.904 -10.744 1.00 0.97 O ATOM 840 OD2 ASP A 56 0.086 -4.096 -9.989 1.00 0.69 O ATOM 0 H ASP A 56 -1.728 -6.440 -6.212 1.00 0.26 H new ATOM 0 HA ASP A 56 -2.400 -4.213 -7.898 1.00 0.29 H new ATOM 0 HB2 ASP A 56 -0.109 -5.111 -7.736 1.00 0.41 H new ATOM 0 HB3 ASP A 56 -0.657 -6.671 -8.316 1.00 0.41 H new ATOM 845 N ALA A 57 -4.216 -5.243 -9.267 1.00 0.35 N ATOM 846 CA ALA A 57 -5.235 -5.787 -10.149 1.00 0.45 C ATOM 847 C ALA A 57 -4.791 -5.612 -11.603 1.00 0.51 C ATOM 848 O ALA A 57 -4.722 -6.583 -12.355 1.00 0.60 O ATOM 849 CB ALA A 57 -6.575 -5.107 -9.862 1.00 0.62 C ATOM 0 H ALA A 57 -4.326 -4.253 -9.048 1.00 0.35 H new ATOM 0 HA ALA A 57 -5.367 -6.854 -9.971 1.00 0.45 H new ATOM 0 HB1 ALA A 57 -7.339 -5.515 -10.524 1.00 0.62 H new ATOM 0 HB2 ALA A 57 -6.859 -5.286 -8.825 1.00 0.62 H new ATOM 0 HB3 ALA A 57 -6.483 -4.034 -10.033 1.00 0.62 H new ATOM 855 N ASP A 58 -4.503 -4.368 -11.954 1.00 0.56 N ATOM 856 CA ASP A 58 -4.068 -4.053 -13.305 1.00 0.67 C ATOM 857 C ASP A 58 -3.200 -5.196 -13.835 1.00 0.68 C ATOM 858 O ASP A 58 -3.242 -5.513 -15.023 1.00 0.80 O ATOM 859 CB ASP A 58 -3.231 -2.773 -13.330 1.00 0.76 C ATOM 860 CG ASP A 58 -3.003 -2.122 -11.964 1.00 0.85 C ATOM 861 OD1 ASP A 58 -4.000 -1.619 -11.401 1.00 2.22 O ATOM 862 OD2 ASP A 58 -1.837 -2.143 -11.513 1.00 1.05 O ATOM 0 H ASP A 58 -4.562 -3.566 -11.327 1.00 0.56 H new ATOM 0 HA ASP A 58 -4.956 -3.915 -13.922 1.00 0.67 H new ATOM 0 HB2 ASP A 58 -2.262 -2.999 -13.774 1.00 0.76 H new ATOM 0 HB3 ASP A 58 -3.720 -2.050 -13.983 1.00 0.76 H new ATOM 867 N GLY A 59 -2.432 -5.783 -12.929 1.00 0.60 N ATOM 868 CA GLY A 59 -1.555 -6.884 -13.291 1.00 0.68 C ATOM 869 C GLY A 59 -0.182 -6.369 -13.728 1.00 0.73 C ATOM 870 O GLY A 59 0.065 -6.181 -14.918 1.00 1.24 O ATOM 0 H GLY A 59 -2.399 -5.517 -11.945 1.00 0.60 H new ATOM 0 HA2 GLY A 59 -1.441 -7.558 -12.442 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -2.005 -7.462 -14.098 1.00 0.68 H new ATOM 874 N ASP A 60 0.676 -6.157 -12.741 1.00 0.39 N ATOM 875 CA ASP A 60 2.018 -5.668 -13.008 1.00 0.42 C ATOM 876 C ASP A 60 2.943 -6.076 -11.859 1.00 0.43 C ATOM 877 O ASP A 60 3.977 -6.704 -12.083 1.00 0.55 O ATOM 878 CB ASP A 60 2.038 -4.142 -13.112 1.00 0.46 C ATOM 879 CG ASP A 60 0.665 -3.471 -13.044 1.00 1.13 C ATOM 880 OD1 ASP A 60 -0.094 -3.631 -14.025 1.00 2.77 O ATOM 881 OD2 ASP A 60 0.404 -2.814 -12.013 1.00 0.92 O ATOM 0 H ASP A 60 0.468 -6.315 -11.755 1.00 0.39 H new ATOM 0 HA ASP A 60 2.352 -6.098 -13.952 1.00 0.42 H new ATOM 0 HB2 ASP A 60 2.659 -3.746 -12.309 1.00 0.46 H new ATOM 0 HB3 ASP A 60 2.516 -3.863 -14.051 1.00 0.46 H new ATOM 886 N GLY A 61 2.538 -5.702 -10.654 1.00 0.39 N ATOM 887 CA GLY A 61 3.317 -6.021 -9.470 1.00 0.45 C ATOM 888 C GLY A 61 3.697 -4.751 -8.705 1.00 0.58 C ATOM 889 O GLY A 61 4.819 -4.629 -8.216 1.00 1.27 O ATOM 0 H GLY A 61 1.680 -5.181 -10.472 1.00 0.39 H new ATOM 0 HA2 GLY A 61 2.744 -6.683 -8.821 1.00 0.45 H new ATOM 0 HA3 GLY A 61 4.219 -6.560 -9.758 1.00 0.45 H new ATOM 893 N THR A 62 2.740 -3.838 -8.626 1.00 0.35 N ATOM 894 CA THR A 62 2.959 -2.583 -7.928 1.00 0.34 C ATOM 895 C THR A 62 1.676 -2.128 -7.231 1.00 0.28 C ATOM 896 O THR A 62 0.587 -2.600 -7.557 1.00 0.27 O ATOM 897 CB THR A 62 3.494 -1.567 -8.940 1.00 0.44 C ATOM 898 OG1 THR A 62 4.573 -2.246 -9.577 1.00 0.57 O ATOM 899 CG2 THR A 62 4.156 -0.363 -8.268 1.00 0.49 C ATOM 0 H THR A 62 1.811 -3.943 -9.034 1.00 0.35 H new ATOM 0 HA THR A 62 3.699 -2.696 -7.135 1.00 0.34 H new ATOM 0 HB THR A 62 2.677 -1.224 -9.575 1.00 0.44 H new ATOM 0 HG1 THR A 62 4.977 -1.659 -10.250 1.00 0.57 H new ATOM 0 HG21 THR A 62 4.518 0.326 -9.031 1.00 0.49 H new ATOM 0 HG22 THR A 62 3.429 0.146 -7.635 1.00 0.49 H new ATOM 0 HG23 THR A 62 4.994 -0.702 -7.658 1.00 0.49 H new ATOM 907 N ILE A 63 1.845 -1.216 -6.285 1.00 0.33 N ATOM 908 CA ILE A 63 0.714 -0.693 -5.539 1.00 0.31 C ATOM 909 C ILE A 63 0.315 0.668 -6.113 1.00 0.34 C ATOM 910 O ILE A 63 1.016 1.217 -6.963 1.00 0.56 O ATOM 911 CB ILE A 63 1.028 -0.660 -4.042 1.00 0.37 C ATOM 912 CG1 ILE A 63 1.652 -1.980 -3.583 1.00 0.42 C ATOM 913 CG2 ILE A 63 -0.218 -0.302 -3.228 1.00 0.48 C ATOM 914 CD1 ILE A 63 1.823 -2.007 -2.063 1.00 0.68 C ATOM 0 H ILE A 63 2.749 -0.826 -6.018 1.00 0.33 H new ATOM 0 HA ILE A 63 -0.149 -1.350 -5.646 1.00 0.31 H new ATOM 0 HB ILE A 63 1.765 0.123 -3.865 1.00 0.37 H new ATOM 0 HG12 ILE A 63 1.022 -2.812 -3.896 1.00 0.42 H new ATOM 0 HG13 ILE A 63 2.621 -2.115 -4.064 1.00 0.42 H new ATOM 0 HG21 ILE A 63 0.033 -0.285 -2.167 1.00 0.48 H new ATOM 0 HG22 ILE A 63 -0.580 0.680 -3.531 1.00 0.48 H new ATOM 0 HG23 ILE A 63 -0.995 -1.046 -3.406 1.00 0.48 H new ATOM 0 HD11 ILE A 63 2.268 -2.956 -1.764 1.00 0.68 H new ATOM 0 HD12 ILE A 63 2.473 -1.188 -1.755 1.00 0.68 H new ATOM 0 HD13 ILE A 63 0.850 -1.896 -1.585 1.00 0.68 H new ATOM 926 N ASP A 64 -0.808 1.174 -5.627 1.00 0.39 N ATOM 927 CA ASP A 64 -1.308 2.461 -6.082 1.00 0.42 C ATOM 928 C ASP A 64 -2.435 2.921 -5.155 1.00 0.38 C ATOM 929 O ASP A 64 -2.809 2.209 -4.224 1.00 0.45 O ATOM 930 CB ASP A 64 -1.872 2.362 -7.500 1.00 0.51 C ATOM 931 CG ASP A 64 -2.032 3.699 -8.227 1.00 1.46 C ATOM 932 OD1 ASP A 64 -1.362 4.663 -7.796 1.00 2.76 O ATOM 933 OD2 ASP A 64 -2.821 3.728 -9.196 1.00 2.21 O ATOM 0 H ASP A 64 -1.387 0.717 -4.922 1.00 0.39 H new ATOM 0 HA ASP A 64 -0.479 3.168 -6.073 1.00 0.42 H new ATOM 0 HB2 ASP A 64 -1.218 1.720 -8.091 1.00 0.51 H new ATOM 0 HB3 ASP A 64 -2.844 1.872 -7.455 1.00 0.51 H new ATOM 938 N PHE A 65 -2.947 4.109 -5.443 1.00 0.39 N ATOM 939 CA PHE A 65 -4.024 4.673 -4.648 1.00 0.48 C ATOM 940 C PHE A 65 -5.236 3.740 -4.626 1.00 0.51 C ATOM 941 O PHE A 65 -5.761 3.422 -3.560 1.00 0.58 O ATOM 942 CB PHE A 65 -4.424 5.994 -5.308 1.00 0.58 C ATOM 943 CG PHE A 65 -4.590 7.155 -4.326 1.00 0.87 C ATOM 944 CD1 PHE A 65 -3.744 7.278 -3.269 1.00 0.47 C ATOM 945 CD2 PHE A 65 -5.584 8.065 -4.511 1.00 2.19 C ATOM 946 CE1 PHE A 65 -3.898 8.356 -2.357 1.00 0.42 C ATOM 947 CE2 PHE A 65 -5.738 9.143 -3.600 1.00 2.51 C ATOM 948 CZ PHE A 65 -4.892 9.266 -2.542 1.00 1.47 C ATOM 0 H PHE A 65 -2.635 4.696 -6.216 1.00 0.39 H new ATOM 0 HA PHE A 65 -3.691 4.817 -3.620 1.00 0.48 H new ATOM 0 HB2 PHE A 65 -3.669 6.262 -6.047 1.00 0.58 H new ATOM 0 HB3 PHE A 65 -5.361 5.850 -5.846 1.00 0.58 H new ATOM 0 HD1 PHE A 65 -2.954 6.556 -3.123 1.00 0.47 H new ATOM 0 HD2 PHE A 65 -6.256 7.967 -5.351 1.00 2.19 H new ATOM 0 HE1 PHE A 65 -3.226 8.453 -1.517 1.00 0.42 H new ATOM 0 HE2 PHE A 65 -6.527 9.866 -3.747 1.00 2.51 H new ATOM 0 HZ PHE A 65 -5.009 10.086 -1.849 1.00 1.47 H new ATOM 958 N PRO A 66 -5.657 3.316 -5.848 1.00 0.53 N ATOM 959 CA PRO A 66 -6.797 2.425 -5.979 1.00 0.66 C ATOM 960 C PRO A 66 -6.428 0.997 -5.573 1.00 0.64 C ATOM 961 O PRO A 66 -7.268 0.255 -5.066 1.00 0.83 O ATOM 962 CB PRO A 66 -7.218 2.538 -7.435 1.00 0.75 C ATOM 963 CG PRO A 66 -6.024 3.123 -8.171 1.00 0.63 C ATOM 964 CD PRO A 66 -5.060 3.671 -7.132 1.00 0.49 C ATOM 0 HA PRO A 66 -7.620 2.695 -5.317 1.00 0.66 H new ATOM 0 HB2 PRO A 66 -7.487 1.563 -7.840 1.00 0.75 H new ATOM 0 HB3 PRO A 66 -8.093 3.179 -7.540 1.00 0.75 H new ATOM 0 HG2 PRO A 66 -5.538 2.359 -8.778 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -6.344 3.914 -8.850 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -4.068 3.233 -7.242 1.00 0.49 H new ATOM 0 HD3 PRO A 66 -4.944 4.750 -7.230 1.00 0.49 H new ATOM 972 N GLU A 67 -5.170 0.655 -5.809 1.00 0.50 N ATOM 973 CA GLU A 67 -4.679 -0.670 -5.474 1.00 0.53 C ATOM 974 C GLU A 67 -4.580 -0.831 -3.955 1.00 0.47 C ATOM 975 O GLU A 67 -5.226 -1.704 -3.377 1.00 0.52 O ATOM 976 CB GLU A 67 -3.329 -0.941 -6.142 1.00 0.52 C ATOM 977 CG GLU A 67 -3.514 -1.338 -7.608 1.00 0.63 C ATOM 978 CD GLU A 67 -2.162 -1.502 -8.306 1.00 0.68 C ATOM 979 OE1 GLU A 67 -1.274 -0.667 -8.027 1.00 2.11 O ATOM 980 OE2 GLU A 67 -2.047 -2.458 -9.103 1.00 1.65 O ATOM 0 H GLU A 67 -4.476 1.273 -6.229 1.00 0.50 H new ATOM 0 HA GLU A 67 -5.389 -1.405 -5.853 1.00 0.53 H new ATOM 0 HB2 GLU A 67 -2.702 -0.051 -6.078 1.00 0.52 H new ATOM 0 HB3 GLU A 67 -2.808 -1.736 -5.609 1.00 0.52 H new ATOM 0 HG2 GLU A 67 -4.074 -2.271 -7.668 1.00 0.63 H new ATOM 0 HG3 GLU A 67 -4.103 -0.579 -8.123 1.00 0.63 H new ATOM 987 N PHE A 68 -3.767 0.024 -3.353 1.00 0.40 N ATOM 988 CA PHE A 68 -3.575 -0.013 -1.913 1.00 0.37 C ATOM 989 C PHE A 68 -4.910 0.130 -1.179 1.00 0.38 C ATOM 990 O PHE A 68 -5.159 -0.565 -0.196 1.00 0.37 O ATOM 991 CB PHE A 68 -2.678 1.172 -1.551 1.00 0.35 C ATOM 992 CG PHE A 68 -1.841 0.955 -0.289 1.00 0.54 C ATOM 993 CD1 PHE A 68 -1.282 -0.260 -0.043 1.00 1.28 C ATOM 994 CD2 PHE A 68 -1.655 1.979 0.588 1.00 0.33 C ATOM 995 CE1 PHE A 68 -0.505 -0.461 1.128 1.00 1.54 C ATOM 996 CE2 PHE A 68 -0.878 1.778 1.759 1.00 0.41 C ATOM 997 CZ PHE A 68 -0.320 0.562 2.005 1.00 1.03 C ATOM 0 H PHE A 68 -3.233 0.747 -3.836 1.00 0.40 H new ATOM 0 HA PHE A 68 -3.130 -0.964 -1.621 1.00 0.37 H new ATOM 0 HB2 PHE A 68 -2.010 1.378 -2.387 1.00 0.35 H new ATOM 0 HB3 PHE A 68 -3.300 2.057 -1.415 1.00 0.35 H new ATOM 0 HD1 PHE A 68 -1.429 -1.073 -0.739 1.00 1.28 H new ATOM 0 HD2 PHE A 68 -2.098 2.944 0.393 1.00 0.33 H new ATOM 0 HE1 PHE A 68 -0.061 -1.426 1.322 1.00 1.54 H new ATOM 0 HE2 PHE A 68 -0.730 2.591 2.455 1.00 0.41 H new ATOM 0 HZ PHE A 68 0.270 0.409 2.897 1.00 1.03 H new ATOM 1007 N LEU A 69 -5.733 1.037 -1.685 1.00 0.46 N ATOM 1008 CA LEU A 69 -7.036 1.281 -1.089 1.00 0.53 C ATOM 1009 C LEU A 69 -7.647 -0.051 -0.648 1.00 0.45 C ATOM 1010 O LEU A 69 -8.067 -0.195 0.499 1.00 0.46 O ATOM 1011 CB LEU A 69 -7.923 2.076 -2.049 1.00 0.80 C ATOM 1012 CG LEU A 69 -8.261 3.506 -1.620 1.00 1.57 C ATOM 1013 CD1 LEU A 69 -9.263 4.145 -2.584 1.00 2.57 C ATOM 1014 CD2 LEU A 69 -8.756 3.541 -0.172 1.00 2.76 C ATOM 0 H LEU A 69 -5.523 1.612 -2.501 1.00 0.46 H new ATOM 0 HA LEU A 69 -6.938 1.899 -0.196 1.00 0.53 H new ATOM 0 HB2 LEU A 69 -7.429 2.116 -3.020 1.00 0.80 H new ATOM 0 HB3 LEU A 69 -8.856 1.529 -2.188 1.00 0.80 H new ATOM 0 HG LEU A 69 -7.349 4.101 -1.663 1.00 1.57 H new ATOM 0 HD11 LEU A 69 -9.486 5.160 -2.257 1.00 2.57 H new ATOM 0 HD12 LEU A 69 -8.836 4.173 -3.587 1.00 2.57 H new ATOM 0 HD13 LEU A 69 -10.181 3.558 -2.596 1.00 2.57 H new ATOM 0 HD21 LEU A 69 -8.989 4.568 0.108 1.00 2.76 H new ATOM 0 HD22 LEU A 69 -9.652 2.927 -0.079 1.00 2.76 H new ATOM 0 HD23 LEU A 69 -7.980 3.153 0.487 1.00 2.76 H new ATOM 1026 N THR A 70 -7.676 -0.990 -1.582 1.00 0.53 N ATOM 1027 CA THR A 70 -8.229 -2.305 -1.304 1.00 0.66 C ATOM 1028 C THR A 70 -7.354 -3.048 -0.291 1.00 0.68 C ATOM 1029 O THR A 70 -7.867 -3.725 0.599 1.00 0.83 O ATOM 1030 CB THR A 70 -8.381 -3.045 -2.634 1.00 0.81 C ATOM 1031 OG1 THR A 70 -9.543 -2.467 -3.222 1.00 0.97 O ATOM 1032 CG2 THR A 70 -8.751 -4.518 -2.446 1.00 1.04 C ATOM 0 H THR A 70 -7.326 -0.867 -2.532 1.00 0.53 H new ATOM 0 HA THR A 70 -9.214 -2.231 -0.843 1.00 0.66 H new ATOM 0 HB THR A 70 -7.450 -2.974 -3.197 1.00 0.81 H new ATOM 0 HG1 THR A 70 -9.714 -2.888 -4.090 1.00 0.97 H new ATOM 0 HG21 THR A 70 -8.847 -4.996 -3.421 1.00 1.04 H new ATOM 0 HG22 THR A 70 -7.972 -5.018 -1.871 1.00 1.04 H new ATOM 0 HG23 THR A 70 -9.699 -4.590 -1.912 1.00 1.04 H new ATOM 1040 N MET A 71 -6.049 -2.896 -0.461 1.00 0.62 N ATOM 1041 CA MET A 71 -5.099 -3.544 0.426 1.00 0.77 C ATOM 1042 C MET A 71 -5.379 -3.184 1.887 1.00 0.87 C ATOM 1043 O MET A 71 -5.628 -4.064 2.710 1.00 1.08 O ATOM 1044 CB MET A 71 -3.678 -3.110 0.058 1.00 0.75 C ATOM 1045 CG MET A 71 -2.641 -3.865 0.892 1.00 0.92 C ATOM 1046 SD MET A 71 -1.007 -3.593 0.225 1.00 2.84 S ATOM 1047 CE MET A 71 -0.188 -5.071 0.801 1.00 2.95 C ATOM 0 H MET A 71 -5.627 -2.333 -1.200 1.00 0.62 H new ATOM 0 HA MET A 71 -5.201 -4.623 0.310 1.00 0.77 H new ATOM 0 HB2 MET A 71 -3.501 -3.293 -1.002 1.00 0.75 H new ATOM 0 HB3 MET A 71 -3.568 -2.038 0.219 1.00 0.75 H new ATOM 0 HG2 MET A 71 -2.681 -3.529 1.928 1.00 0.92 H new ATOM 0 HG3 MET A 71 -2.869 -4.931 0.894 1.00 0.92 H new ATOM 0 HE1 MET A 71 0.486 -5.439 0.027 1.00 2.95 H new ATOM 0 HE2 MET A 71 0.383 -4.843 1.701 1.00 2.95 H new ATOM 0 HE3 MET A 71 -0.932 -5.835 1.027 1.00 2.95 H new ATOM 1057 N MET A 72 -5.330 -1.889 2.164 1.00 0.78 N ATOM 1058 CA MET A 72 -5.576 -1.403 3.511 1.00 0.91 C ATOM 1059 C MET A 72 -6.981 -1.781 3.983 1.00 0.92 C ATOM 1060 O MET A 72 -7.137 -2.469 4.991 1.00 1.08 O ATOM 1061 CB MET A 72 -5.420 0.119 3.540 1.00 0.89 C ATOM 1062 CG MET A 72 -3.945 0.518 3.615 1.00 2.09 C ATOM 1063 SD MET A 72 -3.771 2.048 4.518 1.00 3.12 S ATOM 1064 CE MET A 72 -4.425 1.550 6.102 1.00 2.77 C ATOM 0 H MET A 72 -5.124 -1.162 1.479 1.00 0.78 H new ATOM 0 HA MET A 72 -4.852 -1.865 4.182 1.00 0.91 H new ATOM 0 HB2 MET A 72 -5.872 0.551 2.648 1.00 0.89 H new ATOM 0 HB3 MET A 72 -5.955 0.527 4.398 1.00 0.89 H new ATOM 0 HG2 MET A 72 -3.371 -0.269 4.104 1.00 2.09 H new ATOM 0 HG3 MET A 72 -3.539 0.631 2.610 1.00 2.09 H new ATOM 0 HE1 MET A 72 -3.869 2.046 6.897 1.00 2.77 H new ATOM 0 HE2 MET A 72 -5.477 1.829 6.166 1.00 2.77 H new ATOM 0 HE3 MET A 72 -4.329 0.470 6.212 1.00 2.77 H new ATOM 1074 N ALA A 73 -7.968 -1.316 3.232 1.00 0.78 N ATOM 1075 CA ALA A 73 -9.356 -1.597 3.560 1.00 0.84 C ATOM 1076 C ALA A 73 -9.503 -3.081 3.902 1.00 1.01 C ATOM 1077 O ALA A 73 -9.948 -3.429 4.995 1.00 1.19 O ATOM 1078 CB ALA A 73 -10.252 -1.175 2.395 1.00 0.72 C ATOM 0 H ALA A 73 -7.834 -0.746 2.397 1.00 0.78 H new ATOM 0 HA ALA A 73 -9.668 -1.025 4.434 1.00 0.84 H new ATOM 0 HB1 ALA A 73 -11.293 -1.386 2.641 1.00 0.72 H new ATOM 0 HB2 ALA A 73 -10.132 -0.107 2.212 1.00 0.72 H new ATOM 0 HB3 ALA A 73 -9.971 -1.731 1.500 1.00 0.72 H new ATOM 1084 N ARG A 74 -9.122 -3.917 2.947 1.00 0.96 N ATOM 1085 CA ARG A 74 -9.206 -5.355 3.133 1.00 1.13 C ATOM 1086 C ARG A 74 -8.349 -5.788 4.324 1.00 1.27 C ATOM 1087 O ARG A 74 -8.596 -6.832 4.924 1.00 1.48 O ATOM 1088 CB ARG A 74 -8.741 -6.101 1.881 1.00 1.09 C ATOM 1089 CG ARG A 74 -9.766 -5.972 0.753 1.00 1.06 C ATOM 1090 CD ARG A 74 -10.961 -6.898 0.990 1.00 1.51 C ATOM 1091 NE ARG A 74 -11.773 -7.002 -0.243 1.00 1.69 N ATOM 1092 CZ ARG A 74 -11.430 -7.738 -1.309 1.00 2.35 C ATOM 1093 NH1 ARG A 74 -10.289 -8.439 -1.300 1.00 3.33 N ATOM 1094 NH2 ARG A 74 -12.229 -7.773 -2.384 1.00 3.09 N ATOM 0 H ARG A 74 -8.754 -3.625 2.042 1.00 0.96 H new ATOM 0 HA ARG A 74 -10.250 -5.603 3.323 1.00 1.13 H new ATOM 0 HB2 ARG A 74 -7.781 -5.703 1.552 1.00 1.09 H new ATOM 0 HB3 ARG A 74 -8.586 -7.154 2.117 1.00 1.09 H new ATOM 0 HG2 ARG A 74 -10.109 -4.940 0.685 1.00 1.06 H new ATOM 0 HG3 ARG A 74 -9.296 -6.215 -0.200 1.00 1.06 H new ATOM 0 HD2 ARG A 74 -10.612 -7.886 1.290 1.00 1.51 H new ATOM 0 HD3 ARG A 74 -11.572 -6.514 1.807 1.00 1.51 H new ATOM 0 HE ARG A 74 -12.649 -6.481 -0.284 1.00 1.69 H new ATOM 0 HH11 ARG A 74 -9.681 -8.413 -0.482 1.00 3.33 H new ATOM 0 HH12 ARG A 74 -10.028 -8.999 -2.112 1.00 3.33 H new ATOM 0 HH21 ARG A 74 -13.098 -7.239 -2.391 1.00 3.09 H new ATOM 0 HH22 ARG A 74 -11.968 -8.333 -3.195 1.00 3.09 H new ATOM 1108 N LYS A 75 -7.358 -4.962 4.630 1.00 1.22 N ATOM 1109 CA LYS A 75 -6.463 -5.246 5.739 1.00 1.39 C ATOM 1110 C LYS A 75 -7.280 -5.390 7.024 1.00 1.47 C ATOM 1111 O LYS A 75 -7.225 -6.426 7.686 1.00 1.68 O ATOM 1112 CB LYS A 75 -5.363 -4.186 5.824 1.00 1.39 C ATOM 1113 CG LYS A 75 -4.077 -4.776 6.406 1.00 1.59 C ATOM 1114 CD LYS A 75 -4.237 -5.076 7.898 1.00 3.11 C ATOM 1115 CE LYS A 75 -4.181 -6.582 8.164 1.00 3.20 C ATOM 1116 NZ LYS A 75 -3.005 -6.917 8.996 1.00 4.17 N ATOM 0 H LYS A 75 -7.156 -4.097 4.129 1.00 1.22 H new ATOM 0 HA LYS A 75 -5.948 -6.194 5.581 1.00 1.39 H new ATOM 0 HB2 LYS A 75 -5.165 -3.782 4.831 1.00 1.39 H new ATOM 0 HB3 LYS A 75 -5.700 -3.356 6.445 1.00 1.39 H new ATOM 0 HG2 LYS A 75 -3.819 -5.691 5.873 1.00 1.59 H new ATOM 0 HG3 LYS A 75 -3.253 -4.078 6.258 1.00 1.59 H new ATOM 0 HD2 LYS A 75 -3.449 -4.574 8.460 1.00 3.11 H new ATOM 0 HD3 LYS A 75 -5.186 -4.675 8.253 1.00 3.11 H new ATOM 0 HE2 LYS A 75 -5.093 -6.903 8.667 1.00 3.20 H new ATOM 0 HE3 LYS A 75 -4.131 -7.123 7.219 1.00 3.20 H new ATOM 0 HZ1 LYS A 75 -2.982 -7.943 9.167 1.00 4.17 H new ATOM 0 HZ2 LYS A 75 -2.137 -6.629 8.502 1.00 4.17 H new ATOM 0 HZ3 LYS A 75 -3.069 -6.416 9.905 1.00 4.17 H new ATOM 1130 N MET A 76 -8.018 -4.336 7.340 1.00 1.33 N ATOM 1131 CA MET A 76 -8.845 -4.332 8.534 1.00 1.41 C ATOM 1132 C MET A 76 -9.896 -5.443 8.478 1.00 1.50 C ATOM 1133 O MET A 76 -10.405 -5.873 9.511 1.00 1.62 O ATOM 1134 CB MET A 76 -9.541 -2.976 8.669 1.00 1.36 C ATOM 1135 CG MET A 76 -10.731 -2.874 7.712 1.00 1.56 C ATOM 1136 SD MET A 76 -12.259 -2.884 8.635 1.00 2.33 S ATOM 1137 CE MET A 76 -12.397 -1.148 9.027 1.00 3.16 C ATOM 0 H MET A 76 -8.060 -3.478 6.789 1.00 1.33 H new ATOM 0 HA MET A 76 -8.204 -4.508 9.397 1.00 1.41 H new ATOM 0 HB2 MET A 76 -9.882 -2.839 9.695 1.00 1.36 H new ATOM 0 HB3 MET A 76 -8.831 -2.176 8.459 1.00 1.36 H new ATOM 0 HG2 MET A 76 -10.658 -1.959 7.124 1.00 1.56 H new ATOM 0 HG3 MET A 76 -10.716 -3.707 7.009 1.00 1.56 H new ATOM 0 HE1 MET A 76 -13.304 -0.977 9.606 1.00 3.16 H new ATOM 0 HE2 MET A 76 -11.530 -0.837 9.610 1.00 3.16 H new ATOM 0 HE3 MET A 76 -12.441 -0.569 8.105 1.00 3.16 H new ATOM 1147 N LYS A 77 -10.188 -5.875 7.260 1.00 1.54 N ATOM 1148 CA LYS A 77 -11.169 -6.927 7.055 1.00 1.69 C ATOM 1149 C LYS A 77 -10.704 -8.198 7.768 1.00 1.92 C ATOM 1150 O LYS A 77 -11.390 -8.704 8.655 1.00 2.06 O ATOM 1151 CB LYS A 77 -11.440 -7.124 5.562 1.00 1.79 C ATOM 1152 CG LYS A 77 -12.737 -7.904 5.338 1.00 2.07 C ATOM 1153 CD LYS A 77 -13.428 -7.460 4.047 1.00 2.08 C ATOM 1154 CE LYS A 77 -14.819 -6.892 4.338 1.00 2.17 C ATOM 1155 NZ LYS A 77 -15.867 -7.862 3.950 1.00 3.13 N ATOM 0 H LYS A 77 -9.763 -5.516 6.405 1.00 1.54 H new ATOM 0 HA LYS A 77 -12.126 -6.646 7.495 1.00 1.69 H new ATOM 0 HB2 LYS A 77 -11.505 -6.154 5.070 1.00 1.79 H new ATOM 0 HB3 LYS A 77 -10.607 -7.658 5.105 1.00 1.79 H new ATOM 0 HG2 LYS A 77 -12.520 -8.971 5.290 1.00 2.07 H new ATOM 0 HG3 LYS A 77 -13.407 -7.753 6.184 1.00 2.07 H new ATOM 0 HD2 LYS A 77 -12.821 -6.706 3.546 1.00 2.08 H new ATOM 0 HD3 LYS A 77 -13.512 -8.306 3.365 1.00 2.08 H new ATOM 0 HE2 LYS A 77 -14.908 -6.657 5.399 1.00 2.17 H new ATOM 0 HE3 LYS A 77 -14.959 -5.959 3.792 1.00 2.17 H new ATOM 0 HZ1 LYS A 77 -16.804 -7.461 4.154 1.00 3.13 H new ATOM 0 HZ2 LYS A 77 -15.792 -8.066 2.933 1.00 3.13 H new ATOM 0 HZ3 LYS A 77 -15.742 -8.742 4.490 1.00 3.13 H new ATOM 1169 N ASP A 78 -9.540 -8.679 7.354 1.00 2.02 N ATOM 1170 CA ASP A 78 -8.975 -9.881 7.942 1.00 2.33 C ATOM 1171 C ASP A 78 -8.905 -9.716 9.462 1.00 2.41 C ATOM 1172 O ASP A 78 -9.517 -10.485 10.202 1.00 2.63 O ATOM 1173 CB ASP A 78 -7.556 -10.131 7.428 1.00 2.44 C ATOM 1174 CG ASP A 78 -7.469 -10.625 5.983 1.00 2.34 C ATOM 1175 OD1 ASP A 78 -8.548 -10.878 5.404 1.00 2.37 O ATOM 1176 OD2 ASP A 78 -6.326 -10.739 5.489 1.00 3.52 O ATOM 0 H ASP A 78 -8.973 -8.257 6.618 1.00 2.02 H new ATOM 0 HA ASP A 78 -9.612 -10.722 7.667 1.00 2.33 H new ATOM 0 HB2 ASP A 78 -6.986 -9.206 7.515 1.00 2.44 H new ATOM 0 HB3 ASP A 78 -7.075 -10.864 8.076 1.00 2.44 H new ATOM 1181 N THR A 79 -8.155 -8.708 9.882 1.00 2.29 N ATOM 1182 CA THR A 79 -7.998 -8.432 11.299 1.00 2.43 C ATOM 1183 C THR A 79 -9.355 -8.132 11.938 1.00 2.42 C ATOM 1184 O THR A 79 -9.599 -8.500 13.087 1.00 2.62 O ATOM 1185 CB THR A 79 -6.990 -7.291 11.450 1.00 2.32 C ATOM 1186 OG1 THR A 79 -6.650 -7.309 12.834 1.00 2.90 O ATOM 1187 CG2 THR A 79 -7.626 -5.916 11.240 1.00 2.31 C ATOM 0 H THR A 79 -7.649 -8.072 9.265 1.00 2.29 H new ATOM 0 HA THR A 79 -7.609 -9.301 11.830 1.00 2.43 H new ATOM 0 HB THR A 79 -6.178 -7.428 10.736 1.00 2.32 H new ATOM 0 HG1 THR A 79 -5.999 -6.601 13.020 1.00 2.90 H new ATOM 0 HG21 THR A 79 -6.867 -5.142 11.358 1.00 2.31 H new ATOM 0 HG22 THR A 79 -8.048 -5.860 10.237 1.00 2.31 H new ATOM 0 HG23 THR A 79 -8.416 -5.765 11.975 1.00 2.31 H new TER 1195 THR A 79 HETATM 1196 CA CA A 80 7.538 6.080 -6.006 1.00 0.80 CA HETATM 1197 CA CA A 81 0.581 -1.628 -10.185 1.00 0.91 CA