USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 743 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 35 ASN :FLIP amide:sc= 0.739 F(o=0.72,f=1.6) USER MOD Set 1.2: A 38 ASN :FLIP amide:sc= 0.833 F(o=0.72,f=1.6) USER MOD Set 2.1: A 15 TYR OH : rot -50:sc= 0.922 USER MOD Set 2.2: A 21 ASN : amide:sc= -0.282 K(o=0.64,f=-1.3) USER MOD Set 3.1: A 12 GLN : amide:sc= -0.967 K(o=-2.7,f=-9.5!) USER MOD Set 3.2: A 51 MET CE :methyl -155:sc= -1.77 (180deg=-5.11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -4.01! (180deg=-4.01!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 6 SER OG : rot 112:sc= 0.87 USER MOD Single : A 7 THR OG1 : rot 88:sc= 0.389 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 1.05 (180deg=0.962) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -29:sc= 0.0907 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 47 SER OG : rot -35:sc= 0.555 USER MOD Single : A 49 ASN : amide:sc= -0.0629 K(o=-0.063,f=-2.1!) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00859) USER MOD Single : A 53 THR OG1 : rot -81:sc= 0.57 USER MOD Single : A 55 SER OG : rot 85:sc= 0.759 USER MOD Single : A 56 THR OG1 : rot 23:sc= 0.594 USER MOD Single : A 59 GLN : amide:sc= -0.098 X(o=-0.098,f=-0.51) USER MOD Single : A 62 THR OG1 : rot 74:sc= 0.326 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -129:sc= 1.14 (180deg=0.402) USER MOD Single : A 68 SER OG : rot 22:sc= 0.386 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc=-0.00452 K(o=-0.0045,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.329 -16.132 -2.272 1.00 5.00 N ATOM 2 CA MET A 1 -0.872 -17.211 -3.160 1.00 4.28 C ATOM 3 C MET A 1 -1.811 -17.323 -4.346 1.00 2.94 C ATOM 4 O MET A 1 -1.414 -16.961 -5.445 1.00 3.97 O ATOM 5 CB MET A 1 -0.710 -18.554 -2.435 1.00 4.59 C ATOM 6 CG MET A 1 0.762 -18.786 -2.095 1.00 6.21 C ATOM 7 SD MET A 1 1.096 -20.451 -1.471 1.00 6.99 S ATOM 8 CE MET A 1 2.901 -20.474 -1.628 1.00 8.93 C ATOM 0 H1 MET A 1 -0.685 -16.055 -1.459 1.00 5.00 H new ATOM 0 H2 MET A 1 -1.336 -15.232 -2.794 1.00 5.00 H new ATOM 0 H3 MET A 1 -2.289 -16.344 -1.934 1.00 5.00 H new ATOM 0 HA MET A 1 0.125 -16.951 -3.516 1.00 4.28 H new ATOM 0 HB2 MET A 1 -1.308 -18.560 -1.524 1.00 4.59 H new ATOM 0 HB3 MET A 1 -1.079 -19.364 -3.064 1.00 4.59 H new ATOM 0 HG2 MET A 1 1.366 -18.611 -2.985 1.00 6.21 H new ATOM 0 HG3 MET A 1 1.075 -18.056 -1.349 1.00 6.21 H new ATOM 0 HE1 MET A 1 3.284 -21.435 -1.285 1.00 8.93 H new ATOM 0 HE2 MET A 1 3.177 -20.325 -2.672 1.00 8.93 H new ATOM 0 HE3 MET A 1 3.329 -19.676 -1.022 1.00 8.93 H new ATOM 20 N SER A 2 -3.045 -17.798 -4.154 1.00 1.67 N ATOM 21 CA SER A 2 -3.986 -17.751 -5.260 1.00 1.58 C ATOM 22 C SER A 2 -4.436 -16.310 -5.476 1.00 1.34 C ATOM 23 O SER A 2 -4.172 -15.440 -4.640 1.00 1.16 O ATOM 24 CB SER A 2 -5.180 -18.669 -5.007 1.00 2.70 C ATOM 25 OG SER A 2 -5.836 -18.869 -6.242 1.00 3.63 O ATOM 0 H SER A 2 -3.398 -18.200 -3.285 1.00 1.67 H new ATOM 0 HA SER A 2 -3.492 -18.109 -6.163 1.00 1.58 H new ATOM 0 HB2 SER A 2 -4.850 -19.621 -4.591 1.00 2.70 H new ATOM 0 HB3 SER A 2 -5.859 -18.222 -4.281 1.00 2.70 H new ATOM 0 HG SER A 2 -6.608 -19.458 -6.111 1.00 3.63 H new ATOM 31 N GLU A 3 -5.141 -16.072 -6.582 1.00 1.42 N ATOM 32 CA GLU A 3 -5.622 -14.747 -6.934 1.00 1.30 C ATOM 33 C GLU A 3 -6.585 -14.224 -5.888 1.00 1.11 C ATOM 34 O GLU A 3 -6.581 -13.032 -5.627 1.00 0.96 O ATOM 35 CB GLU A 3 -6.291 -14.732 -8.316 1.00 1.63 C ATOM 36 CG GLU A 3 -5.287 -14.434 -9.432 1.00 1.96 C ATOM 37 CD GLU A 3 -4.589 -13.082 -9.263 1.00 2.88 C ATOM 38 OE1 GLU A 3 -4.991 -12.303 -8.369 1.00 4.30 O ATOM 39 OE2 GLU A 3 -3.603 -12.871 -10.007 1.00 3.51 O ATOM 0 H GLU A 3 -5.392 -16.796 -7.255 1.00 1.42 H new ATOM 0 HA GLU A 3 -4.752 -14.092 -6.972 1.00 1.30 H new ATOM 0 HB2 GLU A 3 -6.764 -15.696 -8.501 1.00 1.63 H new ATOM 0 HB3 GLU A 3 -7.081 -13.982 -8.329 1.00 1.63 H new ATOM 0 HG2 GLU A 3 -4.536 -15.224 -9.458 1.00 1.96 H new ATOM 0 HG3 GLU A 3 -5.803 -14.453 -10.392 1.00 1.96 H new ATOM 46 N GLU A 4 -7.397 -15.072 -5.264 1.00 1.22 N ATOM 47 CA GLU A 4 -8.298 -14.602 -4.220 1.00 1.13 C ATOM 48 C GLU A 4 -7.500 -13.953 -3.090 1.00 0.89 C ATOM 49 O GLU A 4 -7.821 -12.849 -2.662 1.00 0.80 O ATOM 50 CB GLU A 4 -9.153 -15.763 -3.711 1.00 1.33 C ATOM 51 CG GLU A 4 -10.186 -16.161 -4.769 1.00 1.65 C ATOM 52 CD GLU A 4 -10.845 -17.487 -4.400 1.00 1.96 C ATOM 53 OE1 GLU A 4 -10.194 -18.526 -4.651 1.00 2.17 O ATOM 54 OE2 GLU A 4 -11.971 -17.441 -3.860 1.00 3.04 O ATOM 0 H GLU A 4 -7.449 -16.072 -5.459 1.00 1.22 H new ATOM 0 HA GLU A 4 -8.967 -13.846 -4.630 1.00 1.13 H new ATOM 0 HB2 GLU A 4 -8.517 -16.616 -3.474 1.00 1.33 H new ATOM 0 HB3 GLU A 4 -9.658 -15.476 -2.789 1.00 1.33 H new ATOM 0 HG2 GLU A 4 -10.944 -15.383 -4.856 1.00 1.65 H new ATOM 0 HG3 GLU A 4 -9.704 -16.246 -5.743 1.00 1.65 H new ATOM 61 N THR A 5 -6.446 -14.611 -2.605 1.00 0.88 N ATOM 62 CA THR A 5 -5.650 -14.062 -1.520 1.00 0.78 C ATOM 63 C THR A 5 -4.924 -12.800 -1.974 1.00 0.61 C ATOM 64 O THR A 5 -4.956 -11.779 -1.293 1.00 0.56 O ATOM 65 CB THR A 5 -4.629 -15.095 -1.033 1.00 0.97 C ATOM 66 OG1 THR A 5 -5.107 -16.414 -1.203 1.00 1.20 O ATOM 67 CG2 THR A 5 -4.268 -14.859 0.433 1.00 1.13 C ATOM 0 H THR A 5 -6.130 -15.518 -2.947 1.00 0.88 H new ATOM 0 HA THR A 5 -6.322 -13.808 -0.700 1.00 0.78 H new ATOM 0 HB THR A 5 -3.733 -14.973 -1.641 1.00 0.97 H new ATOM 0 HG1 THR A 5 -4.433 -17.050 -0.885 1.00 1.20 H new ATOM 0 HG21 THR A 5 -3.542 -15.606 0.754 1.00 1.13 H new ATOM 0 HG22 THR A 5 -3.839 -13.863 0.546 1.00 1.13 H new ATOM 0 HG23 THR A 5 -5.166 -14.939 1.046 1.00 1.13 H new ATOM 75 N SER A 6 -4.244 -12.871 -3.118 1.00 0.61 N ATOM 76 CA SER A 6 -3.450 -11.760 -3.611 1.00 0.51 C ATOM 77 C SER A 6 -4.356 -10.538 -3.760 1.00 0.44 C ATOM 78 O SER A 6 -4.038 -9.465 -3.270 1.00 0.47 O ATOM 79 CB SER A 6 -2.759 -12.163 -4.920 1.00 0.67 C ATOM 80 OG SER A 6 -1.591 -11.395 -5.117 1.00 0.78 O ATOM 0 H SER A 6 -4.231 -13.694 -3.720 1.00 0.61 H new ATOM 0 HA SER A 6 -2.658 -11.498 -2.909 1.00 0.51 H new ATOM 0 HB2 SER A 6 -2.505 -13.223 -4.893 1.00 0.67 H new ATOM 0 HB3 SER A 6 -3.441 -12.020 -5.758 1.00 0.67 H new ATOM 0 HG SER A 6 -0.803 -11.971 -5.031 1.00 0.78 H new ATOM 86 N THR A 7 -5.524 -10.737 -4.366 1.00 0.54 N ATOM 87 CA THR A 7 -6.566 -9.757 -4.634 1.00 0.61 C ATOM 88 C THR A 7 -7.234 -9.237 -3.369 1.00 0.58 C ATOM 89 O THR A 7 -7.599 -8.067 -3.330 1.00 0.59 O ATOM 90 CB THR A 7 -7.575 -10.296 -5.660 1.00 0.80 C ATOM 91 OG1 THR A 7 -6.913 -10.506 -6.892 1.00 0.93 O ATOM 92 CG2 THR A 7 -8.698 -9.298 -5.953 1.00 0.96 C ATOM 0 H THR A 7 -5.784 -11.662 -4.708 1.00 0.54 H new ATOM 0 HA THR A 7 -6.082 -8.887 -5.077 1.00 0.61 H new ATOM 0 HB THR A 7 -7.993 -11.210 -5.238 1.00 0.80 H new ATOM 0 HG1 THR A 7 -6.532 -11.409 -6.909 1.00 0.93 H new ATOM 0 HG21 THR A 7 -9.384 -9.726 -6.684 1.00 0.96 H new ATOM 0 HG22 THR A 7 -9.239 -9.078 -5.033 1.00 0.96 H new ATOM 0 HG23 THR A 7 -8.272 -8.377 -6.352 1.00 0.96 H new ATOM 100 N GLN A 8 -7.369 -10.031 -2.310 1.00 0.61 N ATOM 101 CA GLN A 8 -7.801 -9.489 -1.028 1.00 0.72 C ATOM 102 C GLN A 8 -6.849 -8.379 -0.618 1.00 0.63 C ATOM 103 O GLN A 8 -7.271 -7.309 -0.187 1.00 0.74 O ATOM 104 CB GLN A 8 -7.807 -10.583 0.045 1.00 0.90 C ATOM 105 CG GLN A 8 -9.047 -11.480 -0.030 1.00 1.09 C ATOM 106 CD GLN A 8 -10.225 -10.863 0.717 1.00 1.43 C ATOM 107 OE1 GLN A 8 -10.282 -10.896 1.940 1.00 2.15 O ATOM 108 NE2 GLN A 8 -11.184 -10.281 0.008 1.00 2.10 N ATOM 0 H GLN A 8 -7.189 -11.035 -2.314 1.00 0.61 H new ATOM 0 HA GLN A 8 -8.814 -9.098 -1.128 1.00 0.72 H new ATOM 0 HB2 GLN A 8 -6.913 -11.197 -0.063 1.00 0.90 H new ATOM 0 HB3 GLN A 8 -7.758 -10.120 1.030 1.00 0.90 H new ATOM 0 HG2 GLN A 8 -9.319 -11.641 -1.073 1.00 1.09 H new ATOM 0 HG3 GLN A 8 -8.817 -12.458 0.394 1.00 1.09 H new ATOM 0 HE21 GLN A 8 -11.125 -10.260 -1.010 1.00 2.10 H new ATOM 0 HE22 GLN A 8 -11.981 -9.854 0.481 1.00 2.10 H new ATOM 117 N ILE A 9 -5.551 -8.638 -0.752 1.00 0.51 N ATOM 118 CA ILE A 9 -4.554 -7.714 -0.259 1.00 0.56 C ATOM 119 C ILE A 9 -4.489 -6.530 -1.219 1.00 0.47 C ATOM 120 O ILE A 9 -4.399 -5.388 -0.789 1.00 0.52 O ATOM 121 CB ILE A 9 -3.194 -8.411 -0.110 1.00 0.64 C ATOM 122 CG1 ILE A 9 -3.284 -9.693 0.739 1.00 1.53 C ATOM 123 CG2 ILE A 9 -2.217 -7.453 0.580 1.00 1.33 C ATOM 124 CD1 ILE A 9 -2.171 -10.664 0.352 1.00 2.06 C ATOM 0 H ILE A 9 -5.175 -9.476 -1.196 1.00 0.51 H new ATOM 0 HA ILE A 9 -4.825 -7.354 0.733 1.00 0.56 H new ATOM 0 HB ILE A 9 -2.855 -8.684 -1.109 1.00 0.64 H new ATOM 0 HG12 ILE A 9 -3.206 -9.443 1.797 1.00 1.53 H new ATOM 0 HG13 ILE A 9 -4.255 -10.166 0.594 1.00 1.53 H new ATOM 0 HG21 ILE A 9 -1.248 -7.939 0.690 1.00 1.33 H new ATOM 0 HG22 ILE A 9 -2.104 -6.552 -0.023 1.00 1.33 H new ATOM 0 HG23 ILE A 9 -2.603 -7.186 1.564 1.00 1.33 H new ATOM 0 HD11 ILE A 9 -2.247 -11.565 0.960 1.00 2.06 H new ATOM 0 HD12 ILE A 9 -2.268 -10.927 -0.701 1.00 2.06 H new ATOM 0 HD13 ILE A 9 -1.202 -10.193 0.521 1.00 2.06 H new ATOM 136 N LEU A 10 -4.578 -6.792 -2.521 1.00 0.40 N ATOM 137 CA LEU A 10 -4.505 -5.806 -3.586 1.00 0.42 C ATOM 138 C LEU A 10 -5.594 -4.761 -3.374 1.00 0.40 C ATOM 139 O LEU A 10 -5.341 -3.559 -3.314 1.00 0.43 O ATOM 140 CB LEU A 10 -4.704 -6.526 -4.932 1.00 0.52 C ATOM 141 CG LEU A 10 -3.680 -6.115 -5.984 1.00 0.71 C ATOM 142 CD1 LEU A 10 -2.487 -7.057 -5.865 1.00 1.86 C ATOM 143 CD2 LEU A 10 -4.289 -6.236 -7.384 1.00 2.44 C ATOM 0 H LEU A 10 -4.709 -7.740 -2.873 1.00 0.40 H new ATOM 0 HA LEU A 10 -3.536 -5.307 -3.583 1.00 0.42 H new ATOM 0 HB2 LEU A 10 -4.643 -7.603 -4.774 1.00 0.52 H new ATOM 0 HB3 LEU A 10 -5.706 -6.315 -5.306 1.00 0.52 H new ATOM 0 HG LEU A 10 -3.373 -5.081 -5.828 1.00 0.71 H new ATOM 0 HD11 LEU A 10 -1.735 -6.788 -6.607 1.00 1.86 H new ATOM 0 HD12 LEU A 10 -2.057 -6.975 -4.867 1.00 1.86 H new ATOM 0 HD13 LEU A 10 -2.815 -8.082 -6.036 1.00 1.86 H new ATOM 0 HD21 LEU A 10 -3.550 -5.940 -8.129 1.00 2.44 H new ATOM 0 HD22 LEU A 10 -4.590 -7.268 -7.562 1.00 2.44 H new ATOM 0 HD23 LEU A 10 -5.160 -5.586 -7.459 1.00 2.44 H new ATOM 155 N LYS A 11 -6.824 -5.246 -3.234 1.00 0.40 N ATOM 156 CA LYS A 11 -8.000 -4.421 -3.030 1.00 0.41 C ATOM 157 C LYS A 11 -7.960 -3.787 -1.642 1.00 0.40 C ATOM 158 O LYS A 11 -8.581 -2.753 -1.426 1.00 0.56 O ATOM 159 CB LYS A 11 -9.273 -5.255 -3.242 1.00 0.48 C ATOM 160 CG LYS A 11 -9.372 -5.849 -4.661 1.00 1.54 C ATOM 161 CD LYS A 11 -9.713 -4.824 -5.747 1.00 2.53 C ATOM 162 CE LYS A 11 -11.193 -4.436 -5.691 1.00 2.78 C ATOM 163 NZ LYS A 11 -11.499 -3.371 -6.666 1.00 4.31 N ATOM 0 H LYS A 11 -7.030 -6.245 -3.260 1.00 0.40 H new ATOM 0 HA LYS A 11 -8.010 -3.613 -3.762 1.00 0.41 H new ATOM 0 HB2 LYS A 11 -9.297 -6.064 -2.512 1.00 0.48 H new ATOM 0 HB3 LYS A 11 -10.146 -4.630 -3.053 1.00 0.48 H new ATOM 0 HG2 LYS A 11 -8.424 -6.325 -4.911 1.00 1.54 H new ATOM 0 HG3 LYS A 11 -10.131 -6.631 -4.664 1.00 1.54 H new ATOM 0 HD2 LYS A 11 -9.095 -3.935 -5.620 1.00 2.53 H new ATOM 0 HD3 LYS A 11 -9.479 -5.237 -6.728 1.00 2.53 H new ATOM 0 HE2 LYS A 11 -11.810 -5.311 -5.897 1.00 2.78 H new ATOM 0 HE3 LYS A 11 -11.446 -4.097 -4.686 1.00 2.78 H new ATOM 0 HZ1 LYS A 11 -12.529 -3.244 -6.730 1.00 4.31 H new ATOM 0 HZ2 LYS A 11 -11.059 -2.481 -6.357 1.00 4.31 H new ATOM 0 HZ3 LYS A 11 -11.125 -3.637 -7.599 1.00 4.31 H new ATOM 177 N GLN A 12 -7.233 -4.365 -0.687 1.00 0.45 N ATOM 178 CA GLN A 12 -7.026 -3.714 0.596 1.00 0.50 C ATOM 179 C GLN A 12 -6.016 -2.568 0.501 1.00 0.47 C ATOM 180 O GLN A 12 -6.162 -1.558 1.188 1.00 0.53 O ATOM 181 CB GLN A 12 -6.635 -4.732 1.668 1.00 0.66 C ATOM 182 CG GLN A 12 -7.874 -5.377 2.298 1.00 1.04 C ATOM 183 CD GLN A 12 -8.734 -4.335 3.012 1.00 1.41 C ATOM 184 OE1 GLN A 12 -8.264 -3.610 3.885 1.00 2.58 O ATOM 185 NE2 GLN A 12 -10.000 -4.213 2.636 1.00 2.03 N ATOM 0 H GLN A 12 -6.783 -5.275 -0.780 1.00 0.45 H new ATOM 0 HA GLN A 12 -7.974 -3.267 0.895 1.00 0.50 H new ATOM 0 HB2 GLN A 12 -6.004 -5.504 1.227 1.00 0.66 H new ATOM 0 HB3 GLN A 12 -6.044 -4.241 2.441 1.00 0.66 H new ATOM 0 HG2 GLN A 12 -8.463 -5.871 1.525 1.00 1.04 H new ATOM 0 HG3 GLN A 12 -7.567 -6.147 3.006 1.00 1.04 H new ATOM 0 HE21 GLN A 12 -10.377 -4.822 1.910 1.00 2.03 H new ATOM 0 HE22 GLN A 12 -10.596 -3.510 3.073 1.00 2.03 H new ATOM 194 N VAL A 13 -5.004 -2.692 -0.353 1.00 0.44 N ATOM 195 CA VAL A 13 -4.007 -1.654 -0.528 1.00 0.48 C ATOM 196 C VAL A 13 -4.698 -0.479 -1.205 1.00 0.45 C ATOM 197 O VAL A 13 -4.624 0.643 -0.709 1.00 0.52 O ATOM 198 CB VAL A 13 -2.816 -2.229 -1.311 1.00 0.50 C ATOM 199 CG1 VAL A 13 -1.861 -1.153 -1.839 1.00 0.77 C ATOM 200 CG2 VAL A 13 -1.999 -3.157 -0.402 1.00 0.67 C ATOM 0 H VAL A 13 -4.857 -3.514 -0.939 1.00 0.44 H new ATOM 0 HA VAL A 13 -3.593 -1.295 0.414 1.00 0.48 H new ATOM 0 HB VAL A 13 -3.244 -2.759 -2.162 1.00 0.50 H new ATOM 0 HG11 VAL A 13 -1.043 -1.627 -2.382 1.00 0.77 H new ATOM 0 HG12 VAL A 13 -2.401 -0.484 -2.509 1.00 0.77 H new ATOM 0 HG13 VAL A 13 -1.458 -0.582 -1.003 1.00 0.77 H new ATOM 0 HG21 VAL A 13 -1.155 -3.563 -0.960 1.00 0.67 H new ATOM 0 HG22 VAL A 13 -1.630 -2.594 0.455 1.00 0.67 H new ATOM 0 HG23 VAL A 13 -2.631 -3.974 -0.054 1.00 0.67 H new ATOM 210 N GLU A 14 -5.420 -0.719 -2.305 1.00 0.41 N ATOM 211 CA GLU A 14 -6.150 0.361 -2.949 1.00 0.42 C ATOM 212 C GLU A 14 -7.162 0.969 -1.989 1.00 0.37 C ATOM 213 O GLU A 14 -7.358 2.177 -2.014 1.00 0.41 O ATOM 214 CB GLU A 14 -6.810 -0.071 -4.270 1.00 0.49 C ATOM 215 CG GLU A 14 -8.201 -0.685 -4.057 1.00 1.69 C ATOM 216 CD GLU A 14 -8.853 -1.215 -5.325 1.00 2.38 C ATOM 217 OE1 GLU A 14 -8.138 -1.549 -6.286 1.00 3.21 O ATOM 218 OE2 GLU A 14 -10.104 -1.255 -5.385 1.00 3.16 O ATOM 0 H GLU A 14 -5.510 -1.631 -2.754 1.00 0.41 H new ATOM 0 HA GLU A 14 -5.422 1.128 -3.214 1.00 0.42 H new ATOM 0 HB2 GLU A 14 -6.894 0.792 -4.930 1.00 0.49 H new ATOM 0 HB3 GLU A 14 -6.169 -0.795 -4.773 1.00 0.49 H new ATOM 0 HG2 GLU A 14 -8.119 -1.499 -3.337 1.00 1.69 H new ATOM 0 HG3 GLU A 14 -8.853 0.068 -3.614 1.00 1.69 H new ATOM 225 N TYR A 15 -7.803 0.152 -1.150 1.00 0.35 N ATOM 226 CA TYR A 15 -8.847 0.578 -0.246 1.00 0.33 C ATOM 227 C TYR A 15 -8.319 1.699 0.640 1.00 0.33 C ATOM 228 O TYR A 15 -8.967 2.731 0.755 1.00 0.37 O ATOM 229 CB TYR A 15 -9.367 -0.639 0.526 1.00 0.36 C ATOM 230 CG TYR A 15 -9.836 -0.329 1.917 1.00 0.40 C ATOM 231 CD1 TYR A 15 -11.121 0.191 2.122 1.00 0.72 C ATOM 232 CD2 TYR A 15 -8.927 -0.438 2.981 1.00 0.53 C ATOM 233 CE1 TYR A 15 -11.482 0.656 3.393 1.00 0.83 C ATOM 234 CE2 TYR A 15 -9.270 0.054 4.244 1.00 0.58 C ATOM 235 CZ TYR A 15 -10.546 0.627 4.452 1.00 0.64 C ATOM 236 OH TYR A 15 -10.870 1.171 5.654 1.00 0.81 O ATOM 0 H TYR A 15 -7.598 -0.845 -1.087 1.00 0.35 H new ATOM 0 HA TYR A 15 -9.700 0.991 -0.784 1.00 0.33 H new ATOM 0 HB2 TYR A 15 -10.190 -1.085 -0.032 1.00 0.36 H new ATOM 0 HB3 TYR A 15 -8.576 -1.387 0.579 1.00 0.36 H new ATOM 0 HD1 TYR A 15 -11.828 0.233 1.306 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -7.964 -0.901 2.824 1.00 0.53 H new ATOM 0 HE1 TYR A 15 -12.478 1.038 3.564 1.00 0.83 H new ATOM 0 HE2 TYR A 15 -8.563 -0.003 5.058 1.00 0.58 H new ATOM 0 HH TYR A 15 -11.224 2.075 5.519 1.00 0.81 H new ATOM 246 N TYR A 16 -7.124 1.564 1.212 1.00 0.35 N ATOM 247 CA TYR A 16 -6.577 2.630 2.045 1.00 0.42 C ATOM 248 C TYR A 16 -6.441 3.967 1.296 1.00 0.50 C ATOM 249 O TYR A 16 -6.596 5.032 1.901 1.00 0.62 O ATOM 250 CB TYR A 16 -5.296 2.150 2.734 1.00 0.41 C ATOM 251 CG TYR A 16 -5.590 1.524 4.083 1.00 0.70 C ATOM 252 CD1 TYR A 16 -5.954 2.358 5.157 1.00 2.46 C ATOM 253 CD2 TYR A 16 -5.458 0.138 4.283 1.00 1.35 C ATOM 254 CE1 TYR A 16 -6.154 1.826 6.442 1.00 2.88 C ATOM 255 CE2 TYR A 16 -5.656 -0.403 5.568 1.00 1.27 C ATOM 256 CZ TYR A 16 -5.992 0.437 6.652 1.00 1.56 C ATOM 257 OH TYR A 16 -6.146 -0.104 7.893 1.00 1.99 O ATOM 0 H TYR A 16 -6.526 0.743 1.116 1.00 0.35 H new ATOM 0 HA TYR A 16 -7.292 2.857 2.836 1.00 0.42 H new ATOM 0 HB2 TYR A 16 -4.790 1.424 2.098 1.00 0.41 H new ATOM 0 HB3 TYR A 16 -4.614 2.991 2.863 1.00 0.41 H new ATOM 0 HD1 TYR A 16 -6.081 3.418 4.992 1.00 2.46 H new ATOM 0 HD2 TYR A 16 -5.206 -0.508 3.455 1.00 1.35 H new ATOM 0 HE1 TYR A 16 -6.429 2.472 7.262 1.00 2.88 H new ATOM 0 HE2 TYR A 16 -5.550 -1.466 5.725 1.00 1.27 H new ATOM 0 HH TYR A 16 -5.999 -1.072 7.849 1.00 1.99 H new ATOM 267 N PHE A 17 -6.226 3.936 -0.022 1.00 0.51 N ATOM 268 CA PHE A 17 -6.163 5.136 -0.857 1.00 0.62 C ATOM 269 C PHE A 17 -7.486 5.433 -1.582 1.00 0.78 C ATOM 270 O PHE A 17 -7.595 6.454 -2.263 1.00 1.29 O ATOM 271 CB PHE A 17 -5.004 4.989 -1.850 1.00 0.62 C ATOM 272 CG PHE A 17 -3.668 4.857 -1.150 1.00 0.67 C ATOM 273 CD1 PHE A 17 -3.022 6.002 -0.646 1.00 1.32 C ATOM 274 CD2 PHE A 17 -3.109 3.585 -0.933 1.00 0.92 C ATOM 275 CE1 PHE A 17 -1.836 5.868 0.094 1.00 1.65 C ATOM 276 CE2 PHE A 17 -1.930 3.449 -0.183 1.00 1.03 C ATOM 277 CZ PHE A 17 -1.304 4.592 0.342 1.00 1.30 C ATOM 0 H PHE A 17 -6.090 3.070 -0.543 1.00 0.51 H new ATOM 0 HA PHE A 17 -5.988 5.993 -0.207 1.00 0.62 H new ATOM 0 HB2 PHE A 17 -5.173 4.113 -2.476 1.00 0.62 H new ATOM 0 HB3 PHE A 17 -4.982 5.855 -2.512 1.00 0.62 H new ATOM 0 HD1 PHE A 17 -3.438 6.982 -0.828 1.00 1.32 H new ATOM 0 HD2 PHE A 17 -3.589 2.709 -1.345 1.00 0.92 H new ATOM 0 HE1 PHE A 17 -1.333 6.746 0.472 1.00 1.65 H new ATOM 0 HE2 PHE A 17 -1.506 2.471 -0.010 1.00 1.03 H new ATOM 0 HZ PHE A 17 -0.410 4.489 0.939 1.00 1.30 H new ATOM 287 N SER A 18 -8.488 4.560 -1.456 1.00 0.46 N ATOM 288 CA SER A 18 -9.774 4.634 -2.141 1.00 0.55 C ATOM 289 C SER A 18 -10.932 4.896 -1.191 1.00 0.66 C ATOM 290 O SER A 18 -12.042 5.162 -1.641 1.00 1.09 O ATOM 291 CB SER A 18 -9.984 3.347 -2.953 1.00 0.67 C ATOM 292 OG SER A 18 -11.145 3.395 -3.763 1.00 0.77 O ATOM 0 H SER A 18 -8.419 3.746 -0.845 1.00 0.46 H new ATOM 0 HA SER A 18 -9.754 5.489 -2.816 1.00 0.55 H new ATOM 0 HB2 SER A 18 -9.112 3.174 -3.584 1.00 0.67 H new ATOM 0 HB3 SER A 18 -10.057 2.500 -2.271 1.00 0.67 H new ATOM 0 HG SER A 18 -11.812 3.978 -3.344 1.00 0.77 H new ATOM 298 N ASP A 19 -10.672 4.842 0.106 1.00 0.45 N ATOM 299 CA ASP A 19 -11.627 5.043 1.181 1.00 0.50 C ATOM 300 C ASP A 19 -11.429 6.437 1.771 1.00 0.48 C ATOM 301 O ASP A 19 -11.925 6.759 2.843 1.00 0.55 O ATOM 302 CB ASP A 19 -11.314 3.934 2.182 1.00 0.57 C ATOM 303 CG ASP A 19 -12.253 3.836 3.380 1.00 0.70 C ATOM 304 OD1 ASP A 19 -13.480 3.907 3.160 1.00 1.68 O ATOM 305 OD2 ASP A 19 -11.731 3.545 4.485 1.00 1.54 O ATOM 0 H ASP A 19 -9.734 4.645 0.455 1.00 0.45 H new ATOM 0 HA ASP A 19 -12.669 4.992 0.864 1.00 0.50 H new ATOM 0 HB2 ASP A 19 -11.328 2.980 1.655 1.00 0.57 H new ATOM 0 HB3 ASP A 19 -10.299 4.080 2.551 1.00 0.57 H new ATOM 310 N SER A 20 -10.648 7.268 1.070 1.00 0.46 N ATOM 311 CA SER A 20 -10.109 8.524 1.565 1.00 0.49 C ATOM 312 C SER A 20 -9.602 8.401 3.001 1.00 0.51 C ATOM 313 O SER A 20 -9.682 9.356 3.771 1.00 0.60 O ATOM 314 CB SER A 20 -11.161 9.617 1.399 1.00 0.56 C ATOM 315 OG SER A 20 -11.504 9.701 0.030 1.00 1.58 O ATOM 0 H SER A 20 -10.369 7.070 0.109 1.00 0.46 H new ATOM 0 HA SER A 20 -9.234 8.798 0.976 1.00 0.49 H new ATOM 0 HB2 SER A 20 -12.043 9.389 1.998 1.00 0.56 H new ATOM 0 HB3 SER A 20 -10.774 10.573 1.753 1.00 0.56 H new ATOM 0 HG SER A 20 -12.181 10.398 -0.095 1.00 1.58 H new ATOM 321 N ASN A 21 -9.019 7.248 3.350 1.00 0.49 N ATOM 322 CA ASN A 21 -8.424 7.079 4.663 1.00 0.50 C ATOM 323 C ASN A 21 -7.012 7.656 4.660 1.00 0.42 C ATOM 324 O ASN A 21 -6.589 8.149 5.691 1.00 0.48 O ATOM 325 CB ASN A 21 -8.439 5.614 5.134 1.00 0.59 C ATOM 326 CG ASN A 21 -9.255 5.421 6.417 1.00 1.03 C ATOM 327 OD1 ASN A 21 -9.255 6.247 7.330 1.00 1.39 O ATOM 328 ND2 ASN A 21 -9.986 4.321 6.510 1.00 2.04 N ATOM 0 H ASN A 21 -8.951 6.431 2.743 1.00 0.49 H new ATOM 0 HA ASN A 21 -9.031 7.627 5.383 1.00 0.50 H new ATOM 0 HB2 ASN A 21 -8.853 4.986 4.345 1.00 0.59 H new ATOM 0 HB3 ASN A 21 -7.416 5.279 5.304 1.00 0.59 H new ATOM 0 HD21 ASN A 21 -10.553 4.154 7.341 1.00 2.04 H new ATOM 0 HD22 ASN A 21 -9.982 3.640 5.750 1.00 2.04 H new ATOM 335 N PHE A 22 -6.286 7.693 3.534 1.00 0.40 N ATOM 336 CA PHE A 22 -4.891 8.130 3.541 1.00 0.44 C ATOM 337 C PHE A 22 -4.687 9.521 4.152 1.00 0.43 C ATOM 338 O PHE A 22 -3.769 9.677 4.954 1.00 0.44 O ATOM 339 CB PHE A 22 -4.269 8.013 2.136 1.00 0.54 C ATOM 340 CG PHE A 22 -3.545 9.254 1.655 1.00 0.50 C ATOM 341 CD1 PHE A 22 -2.260 9.570 2.128 1.00 1.95 C ATOM 342 CD2 PHE A 22 -4.214 10.152 0.810 1.00 1.86 C ATOM 343 CE1 PHE A 22 -1.661 10.788 1.769 1.00 2.18 C ATOM 344 CE2 PHE A 22 -3.629 11.380 0.476 1.00 2.10 C ATOM 345 CZ PHE A 22 -2.343 11.698 0.945 1.00 1.48 C ATOM 0 H PHE A 22 -6.642 7.427 2.616 1.00 0.40 H new ATOM 0 HA PHE A 22 -4.357 7.449 4.203 1.00 0.44 H new ATOM 0 HB2 PHE A 22 -3.569 7.177 2.133 1.00 0.54 H new ATOM 0 HB3 PHE A 22 -5.058 7.771 1.424 1.00 0.54 H new ATOM 0 HD1 PHE A 22 -1.734 8.877 2.767 1.00 1.95 H new ATOM 0 HD2 PHE A 22 -5.186 9.895 0.415 1.00 1.86 H new ATOM 0 HE1 PHE A 22 -0.671 11.026 2.128 1.00 2.18 H new ATOM 0 HE2 PHE A 22 -4.167 12.083 -0.143 1.00 2.10 H new ATOM 0 HZ PHE A 22 -1.882 12.636 0.673 1.00 1.48 H new ATOM 355 N PRO A 23 -5.482 10.547 3.813 1.00 0.46 N ATOM 356 CA PRO A 23 -5.231 11.864 4.357 1.00 0.53 C ATOM 357 C PRO A 23 -5.637 11.921 5.835 1.00 0.53 C ATOM 358 O PRO A 23 -5.177 12.789 6.573 1.00 0.62 O ATOM 359 CB PRO A 23 -6.052 12.819 3.490 1.00 0.62 C ATOM 360 CG PRO A 23 -7.226 11.969 3.004 1.00 0.55 C ATOM 361 CD PRO A 23 -6.694 10.537 3.013 1.00 0.55 C ATOM 0 HA PRO A 23 -4.175 12.133 4.335 1.00 0.53 H new ATOM 0 HB2 PRO A 23 -6.395 13.681 4.062 1.00 0.62 H new ATOM 0 HB3 PRO A 23 -5.466 13.203 2.655 1.00 0.62 H new ATOM 0 HG2 PRO A 23 -8.090 12.075 3.660 1.00 0.55 H new ATOM 0 HG3 PRO A 23 -7.545 12.267 2.005 1.00 0.55 H new ATOM 0 HD2 PRO A 23 -7.431 9.853 3.435 1.00 0.55 H new ATOM 0 HD3 PRO A 23 -6.486 10.195 1.999 1.00 0.55 H new ATOM 369 N ARG A 24 -6.528 11.019 6.256 1.00 0.49 N ATOM 370 CA ARG A 24 -7.106 10.952 7.588 1.00 0.58 C ATOM 371 C ARG A 24 -6.200 10.162 8.536 1.00 0.60 C ATOM 372 O ARG A 24 -6.158 10.441 9.731 1.00 0.80 O ATOM 373 CB ARG A 24 -8.480 10.285 7.432 1.00 0.66 C ATOM 374 CG ARG A 24 -9.404 10.449 8.643 1.00 0.80 C ATOM 375 CD ARG A 24 -9.752 9.078 9.229 1.00 1.16 C ATOM 376 NE ARG A 24 -10.973 9.134 10.043 1.00 1.76 N ATOM 377 CZ ARG A 24 -11.703 8.059 10.364 1.00 2.43 C ATOM 378 NH1 ARG A 24 -11.291 6.841 10.007 1.00 2.79 N ATOM 379 NH2 ARG A 24 -12.847 8.212 11.037 1.00 3.19 N ATOM 0 H ARG A 24 -6.878 10.283 5.643 1.00 0.49 H new ATOM 0 HA ARG A 24 -7.210 11.945 8.026 1.00 0.58 H new ATOM 0 HB2 ARG A 24 -8.975 10.701 6.554 1.00 0.66 H new ATOM 0 HB3 ARG A 24 -8.335 9.221 7.242 1.00 0.66 H new ATOM 0 HG2 ARG A 24 -8.918 11.064 9.400 1.00 0.80 H new ATOM 0 HG3 ARG A 24 -10.315 10.969 8.347 1.00 0.80 H new ATOM 0 HD2 ARG A 24 -9.885 8.359 8.421 1.00 1.16 H new ATOM 0 HD3 ARG A 24 -8.923 8.721 9.840 1.00 1.16 H new ATOM 0 HE ARG A 24 -11.283 10.044 10.383 1.00 1.76 H new ATOM 0 HH11 ARG A 24 -10.419 6.729 9.489 1.00 2.79 H new ATOM 0 HH12 ARG A 24 -11.848 6.022 10.252 1.00 2.79 H new ATOM 0 HH21 ARG A 24 -13.161 9.145 11.304 1.00 3.19 H new ATOM 0 HH22 ARG A 24 -13.407 7.396 11.284 1.00 3.19 H new ATOM 393 N ASP A 25 -5.484 9.168 8.015 1.00 0.49 N ATOM 394 CA ASP A 25 -4.620 8.275 8.765 1.00 0.53 C ATOM 395 C ASP A 25 -3.218 8.854 8.673 1.00 0.48 C ATOM 396 O ASP A 25 -2.489 8.648 7.703 1.00 0.48 O ATOM 397 CB ASP A 25 -4.657 6.847 8.184 1.00 0.60 C ATOM 398 CG ASP A 25 -5.549 5.874 8.953 1.00 1.29 C ATOM 399 OD1 ASP A 25 -5.734 6.106 10.169 1.00 2.07 O ATOM 400 OD2 ASP A 25 -5.978 4.879 8.325 1.00 2.35 O ATOM 0 H ASP A 25 -5.494 8.959 7.017 1.00 0.49 H new ATOM 0 HA ASP A 25 -4.949 8.199 9.801 1.00 0.53 H new ATOM 0 HB2 ASP A 25 -5.001 6.897 7.151 1.00 0.60 H new ATOM 0 HB3 ASP A 25 -3.642 6.450 8.163 1.00 0.60 H new ATOM 405 N LYS A 26 -2.814 9.570 9.720 1.00 0.48 N ATOM 406 CA LYS A 26 -1.508 10.219 9.782 1.00 0.47 C ATOM 407 C LYS A 26 -0.357 9.228 9.586 1.00 0.37 C ATOM 408 O LYS A 26 0.734 9.629 9.203 1.00 0.36 O ATOM 409 CB LYS A 26 -1.389 11.015 11.085 1.00 0.56 C ATOM 410 CG LYS A 26 -1.084 10.112 12.287 1.00 1.73 C ATOM 411 CD LYS A 26 -1.608 10.717 13.591 1.00 2.36 C ATOM 412 CE LYS A 26 -0.861 10.077 14.765 1.00 3.47 C ATOM 413 NZ LYS A 26 -1.672 10.052 16.000 1.00 4.50 N ATOM 0 H LYS A 26 -3.386 9.716 10.552 1.00 0.48 H new ATOM 0 HA LYS A 26 -1.428 10.919 8.950 1.00 0.47 H new ATOM 0 HB2 LYS A 26 -0.601 11.761 10.983 1.00 0.56 H new ATOM 0 HB3 LYS A 26 -2.318 11.556 11.265 1.00 0.56 H new ATOM 0 HG2 LYS A 26 -1.537 9.133 12.132 1.00 1.73 H new ATOM 0 HG3 LYS A 26 -0.008 9.957 12.363 1.00 1.73 H new ATOM 0 HD2 LYS A 26 -1.460 11.797 13.593 1.00 2.36 H new ATOM 0 HD3 LYS A 26 -2.680 10.542 13.685 1.00 2.36 H new ATOM 0 HE2 LYS A 26 -0.576 9.059 14.500 1.00 3.47 H new ATOM 0 HE3 LYS A 26 0.061 10.628 14.950 1.00 3.47 H new ATOM 0 HZ1 LYS A 26 -1.125 9.610 16.766 1.00 4.50 H new ATOM 0 HZ2 LYS A 26 -1.923 11.024 16.270 1.00 4.50 H new ATOM 0 HZ3 LYS A 26 -2.540 9.504 15.834 1.00 4.50 H new ATOM 427 N PHE A 27 -0.608 7.941 9.835 1.00 0.36 N ATOM 428 CA PHE A 27 0.286 6.838 9.531 1.00 0.34 C ATOM 429 C PHE A 27 0.659 6.860 8.052 1.00 0.30 C ATOM 430 O PHE A 27 1.832 6.973 7.706 1.00 0.32 O ATOM 431 CB PHE A 27 -0.440 5.542 9.904 1.00 0.38 C ATOM 432 CG PHE A 27 0.407 4.304 9.733 1.00 0.41 C ATOM 433 CD1 PHE A 27 1.577 4.168 10.499 1.00 1.51 C ATOM 434 CD2 PHE A 27 0.044 3.300 8.816 1.00 1.92 C ATOM 435 CE1 PHE A 27 2.380 3.029 10.356 1.00 1.48 C ATOM 436 CE2 PHE A 27 0.845 2.153 8.681 1.00 1.97 C ATOM 437 CZ PHE A 27 2.008 2.015 9.457 1.00 0.56 C ATOM 0 H PHE A 27 -1.477 7.634 10.272 1.00 0.36 H new ATOM 0 HA PHE A 27 1.214 6.917 10.098 1.00 0.34 H new ATOM 0 HB2 PHE A 27 -0.770 5.606 10.941 1.00 0.38 H new ATOM 0 HB3 PHE A 27 -1.335 5.447 9.290 1.00 0.38 H new ATOM 0 HD1 PHE A 27 1.857 4.942 11.198 1.00 1.51 H new ATOM 0 HD2 PHE A 27 -0.848 3.411 8.217 1.00 1.92 H new ATOM 0 HE1 PHE A 27 3.285 2.930 10.937 1.00 1.48 H new ATOM 0 HE2 PHE A 27 0.567 1.379 7.982 1.00 1.97 H new ATOM 0 HZ PHE A 27 2.617 1.128 9.362 1.00 0.56 H new ATOM 447 N LEU A 28 -0.347 6.790 7.177 1.00 0.29 N ATOM 448 CA LEU A 28 -0.122 6.835 5.740 1.00 0.28 C ATOM 449 C LEU A 28 0.532 8.153 5.398 1.00 0.28 C ATOM 450 O LEU A 28 1.582 8.177 4.777 1.00 0.34 O ATOM 451 CB LEU A 28 -1.441 6.720 4.976 1.00 0.30 C ATOM 452 CG LEU A 28 -1.921 5.265 4.946 1.00 0.34 C ATOM 453 CD1 LEU A 28 -3.452 5.211 5.022 1.00 0.49 C ATOM 454 CD2 LEU A 28 -1.391 4.610 3.663 1.00 0.65 C ATOM 0 H LEU A 28 -1.327 6.702 7.445 1.00 0.29 H new ATOM 0 HA LEU A 28 0.516 5.999 5.455 1.00 0.28 H new ATOM 0 HB2 LEU A 28 -2.197 7.348 5.447 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -1.311 7.087 3.958 1.00 0.30 H new ATOM 0 HG LEU A 28 -1.539 4.717 5.808 1.00 0.34 H new ATOM 0 HD11 LEU A 28 -3.781 4.172 5.000 1.00 0.49 H new ATOM 0 HD12 LEU A 28 -3.787 5.678 5.948 1.00 0.49 H new ATOM 0 HD13 LEU A 28 -3.878 5.744 4.172 1.00 0.49 H new ATOM 0 HD21 LEU A 28 -1.721 3.572 3.621 1.00 0.65 H new ATOM 0 HD22 LEU A 28 -1.773 5.148 2.795 1.00 0.65 H new ATOM 0 HD23 LEU A 28 -0.302 4.644 3.660 1.00 0.65 H new ATOM 466 N ARG A 29 -0.094 9.253 5.808 1.00 0.32 N ATOM 467 CA ARG A 29 0.333 10.600 5.479 1.00 0.36 C ATOM 468 C ARG A 29 1.787 10.852 5.871 1.00 0.34 C ATOM 469 O ARG A 29 2.448 11.642 5.211 1.00 0.37 O ATOM 470 CB ARG A 29 -0.628 11.622 6.095 1.00 0.50 C ATOM 471 CG ARG A 29 -0.498 12.971 5.380 1.00 1.09 C ATOM 472 CD ARG A 29 -1.503 13.974 5.953 1.00 1.19 C ATOM 473 NE ARG A 29 -1.331 15.308 5.359 1.00 1.76 N ATOM 474 CZ ARG A 29 -0.371 16.187 5.681 1.00 2.44 C ATOM 475 NH1 ARG A 29 0.542 15.877 6.602 1.00 3.45 N ATOM 476 NH2 ARG A 29 -0.324 17.377 5.080 1.00 3.05 N ATOM 0 H ARG A 29 -0.930 9.226 6.391 1.00 0.32 H new ATOM 0 HA ARG A 29 0.295 10.718 4.396 1.00 0.36 H new ATOM 0 HB2 ARG A 29 -1.653 11.260 6.019 1.00 0.50 H new ATOM 0 HB3 ARG A 29 -0.410 11.743 7.156 1.00 0.50 H new ATOM 0 HG2 ARG A 29 0.516 13.355 5.495 1.00 1.09 H new ATOM 0 HG3 ARG A 29 -0.671 12.842 4.312 1.00 1.09 H new ATOM 0 HD2 ARG A 29 -2.517 13.620 5.768 1.00 1.19 H new ATOM 0 HD3 ARG A 29 -1.379 14.037 7.034 1.00 1.19 H new ATOM 0 HE ARG A 29 -1.999 15.589 4.641 1.00 1.76 H new ATOM 0 HH11 ARG A 29 0.512 14.968 7.064 1.00 3.45 H new ATOM 0 HH12 ARG A 29 1.271 16.548 6.844 1.00 3.45 H new ATOM 0 HH21 ARG A 29 -1.019 17.620 4.374 1.00 3.05 H new ATOM 0 HH22 ARG A 29 0.407 18.044 5.326 1.00 3.05 H new ATOM 490 N SER A 30 2.299 10.209 6.923 1.00 0.33 N ATOM 491 CA SER A 30 3.692 10.335 7.324 1.00 0.37 C ATOM 492 C SER A 30 4.599 9.836 6.208 1.00 0.34 C ATOM 493 O SER A 30 5.585 10.484 5.861 1.00 0.42 O ATOM 494 CB SER A 30 3.924 9.531 8.612 1.00 0.44 C ATOM 495 OG SER A 30 5.252 9.671 9.076 1.00 1.36 O ATOM 0 H SER A 30 1.754 9.586 7.519 1.00 0.33 H new ATOM 0 HA SER A 30 3.927 11.382 7.514 1.00 0.37 H new ATOM 0 HB2 SER A 30 3.230 9.868 9.383 1.00 0.44 H new ATOM 0 HB3 SER A 30 3.710 8.478 8.429 1.00 0.44 H new ATOM 0 HG SER A 30 5.368 9.149 9.897 1.00 1.36 H new ATOM 501 N GLU A 31 4.293 8.659 5.668 1.00 0.28 N ATOM 502 CA GLU A 31 5.161 8.041 4.682 1.00 0.29 C ATOM 503 C GLU A 31 4.962 8.725 3.338 1.00 0.28 C ATOM 504 O GLU A 31 5.922 9.054 2.647 1.00 0.33 O ATOM 505 CB GLU A 31 4.845 6.548 4.633 1.00 0.35 C ATOM 506 CG GLU A 31 6.022 5.716 4.123 1.00 0.99 C ATOM 507 CD GLU A 31 7.288 5.838 4.973 1.00 1.50 C ATOM 508 OE1 GLU A 31 7.197 6.352 6.109 1.00 2.16 O ATOM 509 OE2 GLU A 31 8.339 5.407 4.450 1.00 2.31 O ATOM 0 H GLU A 31 3.457 8.122 5.897 1.00 0.28 H new ATOM 0 HA GLU A 31 6.212 8.156 4.948 1.00 0.29 H new ATOM 0 HB2 GLU A 31 4.568 6.206 5.630 1.00 0.35 H new ATOM 0 HB3 GLU A 31 3.982 6.384 3.988 1.00 0.35 H new ATOM 0 HG2 GLU A 31 5.723 4.669 4.084 1.00 0.99 H new ATOM 0 HG3 GLU A 31 6.252 6.020 3.102 1.00 0.99 H new ATOM 516 N ALA A 32 3.707 9.021 3.007 1.00 0.26 N ATOM 517 CA ALA A 32 3.335 9.769 1.827 1.00 0.28 C ATOM 518 C ALA A 32 4.055 11.121 1.810 1.00 0.32 C ATOM 519 O ALA A 32 4.504 11.567 0.760 1.00 0.37 O ATOM 520 CB ALA A 32 1.815 9.914 1.841 1.00 0.32 C ATOM 0 H ALA A 32 2.907 8.736 3.572 1.00 0.26 H new ATOM 0 HA ALA A 32 3.635 9.253 0.915 1.00 0.28 H new ATOM 0 HB1 ALA A 32 1.495 10.475 0.963 1.00 0.32 H new ATOM 0 HB2 ALA A 32 1.355 8.926 1.828 1.00 0.32 H new ATOM 0 HB3 ALA A 32 1.508 10.445 2.742 1.00 0.32 H new ATOM 526 N ALA A 33 4.243 11.749 2.977 1.00 0.35 N ATOM 527 CA ALA A 33 4.939 13.024 3.123 1.00 0.41 C ATOM 528 C ALA A 33 6.435 12.957 2.786 1.00 0.48 C ATOM 529 O ALA A 33 7.125 13.968 2.896 1.00 0.67 O ATOM 530 CB ALA A 33 4.739 13.565 4.546 1.00 0.46 C ATOM 0 H ALA A 33 3.906 11.373 3.863 1.00 0.35 H new ATOM 0 HA ALA A 33 4.497 13.703 2.393 1.00 0.41 H new ATOM 0 HB1 ALA A 33 5.260 14.517 4.650 1.00 0.46 H new ATOM 0 HB2 ALA A 33 3.675 13.712 4.733 1.00 0.46 H new ATOM 0 HB3 ALA A 33 5.139 12.851 5.266 1.00 0.46 H new ATOM 536 N LYS A 34 6.970 11.814 2.346 1.00 0.43 N ATOM 537 CA LYS A 34 8.298 11.776 1.742 1.00 0.45 C ATOM 538 C LYS A 34 8.207 12.162 0.265 1.00 0.46 C ATOM 539 O LYS A 34 9.147 12.755 -0.251 1.00 0.52 O ATOM 540 CB LYS A 34 8.944 10.392 1.930 1.00 0.47 C ATOM 541 CG LYS A 34 10.192 10.418 2.824 1.00 0.65 C ATOM 542 CD LYS A 34 9.908 10.712 4.304 1.00 0.94 C ATOM 543 CE LYS A 34 9.718 12.208 4.575 1.00 1.88 C ATOM 544 NZ LYS A 34 9.755 12.508 6.023 1.00 2.86 N ATOM 0 H LYS A 34 6.503 10.908 2.398 1.00 0.43 H new ATOM 0 HA LYS A 34 8.939 12.501 2.244 1.00 0.45 H new ATOM 0 HB2 LYS A 34 8.210 9.712 2.363 1.00 0.47 H new ATOM 0 HB3 LYS A 34 9.214 9.990 0.954 1.00 0.47 H new ATOM 0 HG2 LYS A 34 10.698 9.456 2.748 1.00 0.65 H new ATOM 0 HG3 LYS A 34 10.881 11.171 2.443 1.00 0.65 H new ATOM 0 HD2 LYS A 34 9.013 10.173 4.614 1.00 0.94 H new ATOM 0 HD3 LYS A 34 10.732 10.337 4.911 1.00 0.94 H new ATOM 0 HE2 LYS A 34 10.499 12.773 4.066 1.00 1.88 H new ATOM 0 HE3 LYS A 34 8.765 12.536 4.159 1.00 1.88 H new ATOM 0 HZ1 LYS A 34 9.623 13.529 6.169 1.00 2.86 H new ATOM 0 HZ2 LYS A 34 8.994 11.988 6.505 1.00 2.86 H new ATOM 0 HZ3 LYS A 34 10.674 12.218 6.414 1.00 2.86 H new ATOM 558 N ASN A 35 7.095 11.871 -0.421 1.00 0.46 N ATOM 559 CA ASN A 35 6.877 12.339 -1.786 1.00 0.50 C ATOM 560 C ASN A 35 5.399 12.519 -2.086 1.00 0.47 C ATOM 561 O ASN A 35 4.885 11.852 -2.980 1.00 0.54 O ATOM 562 CB ASN A 35 7.514 11.370 -2.788 1.00 0.60 C ATOM 563 CG ASN A 35 7.832 12.032 -4.125 1.00 1.00 C ATOM 564 OD1 ASN A 35 6.839 12.368 -4.934 1.00 1.69 O flip ATOM 565 ND2 ASN A 35 8.991 12.246 -4.452 1.00 2.50 N flip ATOM 0 H ASN A 35 6.330 11.310 -0.046 1.00 0.46 H new ATOM 0 HA ASN A 35 7.354 13.314 -1.884 1.00 0.50 H new ATOM 0 HB2 ASN A 35 8.431 10.963 -2.361 1.00 0.60 H new ATOM 0 HB3 ASN A 35 6.840 10.530 -2.954 1.00 0.60 H new ATOM 0 HD21 ASN A 35 9.754 11.986 -3.827 1.00 2.50 H new ATOM 0 HD22 ASN A 35 9.195 12.684 -5.350 1.00 2.50 H new ATOM 572 N VAL A 36 4.729 13.448 -1.399 1.00 0.49 N ATOM 573 CA VAL A 36 3.315 13.759 -1.597 1.00 0.51 C ATOM 574 C VAL A 36 2.427 12.561 -1.243 1.00 0.45 C ATOM 575 O VAL A 36 1.802 12.568 -0.187 1.00 0.45 O ATOM 576 CB VAL A 36 3.108 14.370 -3.001 1.00 0.59 C ATOM 577 CG1 VAL A 36 1.691 14.210 -3.548 1.00 0.68 C ATOM 578 CG2 VAL A 36 3.463 15.860 -2.944 1.00 0.65 C ATOM 0 H VAL A 36 5.166 14.016 -0.674 1.00 0.49 H new ATOM 0 HA VAL A 36 2.988 14.530 -0.899 1.00 0.51 H new ATOM 0 HB VAL A 36 3.760 13.823 -3.682 1.00 0.59 H new ATOM 0 HG11 VAL A 36 1.629 14.665 -4.536 1.00 0.68 H new ATOM 0 HG12 VAL A 36 1.446 13.150 -3.620 1.00 0.68 H new ATOM 0 HG13 VAL A 36 0.985 14.700 -2.878 1.00 0.68 H new ATOM 0 HG21 VAL A 36 3.322 16.306 -3.929 1.00 0.65 H new ATOM 0 HG22 VAL A 36 2.817 16.361 -2.223 1.00 0.65 H new ATOM 0 HG23 VAL A 36 4.503 15.975 -2.640 1.00 0.65 H new ATOM 588 N ASP A 37 2.351 11.566 -2.128 1.00 0.43 N ATOM 589 CA ASP A 37 1.656 10.290 -1.947 1.00 0.43 C ATOM 590 C ASP A 37 2.149 9.285 -3.000 1.00 0.46 C ATOM 591 O ASP A 37 1.395 8.485 -3.556 1.00 0.55 O ATOM 592 CB ASP A 37 0.135 10.514 -2.030 1.00 0.56 C ATOM 593 CG ASP A 37 -0.671 9.389 -1.378 1.00 1.15 C ATOM 594 OD1 ASP A 37 -0.059 8.541 -0.692 1.00 2.16 O ATOM 595 OD2 ASP A 37 -1.914 9.421 -1.545 1.00 1.96 O ATOM 0 H ASP A 37 2.798 11.633 -3.042 1.00 0.43 H new ATOM 0 HA ASP A 37 1.876 9.876 -0.963 1.00 0.43 H new ATOM 0 HB2 ASP A 37 -0.114 11.459 -1.547 1.00 0.56 H new ATOM 0 HB3 ASP A 37 -0.157 10.604 -3.076 1.00 0.56 H new ATOM 600 N ASN A 38 3.432 9.398 -3.366 1.00 0.43 N ATOM 601 CA ASN A 38 4.072 8.563 -4.376 1.00 0.49 C ATOM 602 C ASN A 38 5.104 7.614 -3.776 1.00 0.47 C ATOM 603 O ASN A 38 5.658 6.783 -4.492 1.00 0.59 O ATOM 604 CB ASN A 38 4.744 9.429 -5.449 1.00 0.55 C ATOM 605 CG ASN A 38 3.858 10.528 -6.019 1.00 1.29 C ATOM 606 OD1 ASN A 38 2.625 10.221 -6.400 1.00 2.76 O flip ATOM 607 ND2 ASN A 38 4.295 11.666 -6.135 1.00 2.24 N flip ATOM 0 H ASN A 38 4.062 10.088 -2.957 1.00 0.43 H new ATOM 0 HA ASN A 38 3.283 7.962 -4.827 1.00 0.49 H new ATOM 0 HB2 ASN A 38 5.638 9.885 -5.023 1.00 0.55 H new ATOM 0 HB3 ASN A 38 5.072 8.785 -6.265 1.00 0.55 H new ATOM 0 HD21 ASN A 38 5.246 11.880 -5.835 1.00 2.24 H new ATOM 0 HD22 ASN A 38 3.708 12.400 -6.531 1.00 2.24 H new ATOM 614 N TYR A 39 5.470 7.821 -2.510 1.00 0.43 N ATOM 615 CA TYR A 39 6.506 7.076 -1.821 1.00 0.44 C ATOM 616 C TYR A 39 5.815 6.525 -0.586 1.00 0.38 C ATOM 617 O TYR A 39 5.312 7.297 0.223 1.00 0.42 O ATOM 618 CB TYR A 39 7.686 7.983 -1.418 1.00 0.54 C ATOM 619 CG TYR A 39 8.768 8.241 -2.461 1.00 1.10 C ATOM 620 CD1 TYR A 39 8.458 8.476 -3.815 1.00 2.78 C ATOM 621 CD2 TYR A 39 10.117 8.267 -2.057 1.00 1.74 C ATOM 622 CE1 TYR A 39 9.470 8.746 -4.752 1.00 3.44 C ATOM 623 CE2 TYR A 39 11.140 8.517 -2.990 1.00 2.18 C ATOM 624 CZ TYR A 39 10.820 8.768 -4.340 1.00 2.65 C ATOM 625 OH TYR A 39 11.816 9.029 -5.233 1.00 3.43 O ATOM 0 H TYR A 39 5.036 8.535 -1.925 1.00 0.43 H new ATOM 0 HA TYR A 39 6.932 6.297 -2.453 1.00 0.44 H new ATOM 0 HB2 TYR A 39 7.279 8.946 -1.111 1.00 0.54 H new ATOM 0 HB3 TYR A 39 8.163 7.544 -0.541 1.00 0.54 H new ATOM 0 HD1 TYR A 39 7.428 8.448 -4.138 1.00 2.78 H new ATOM 0 HD2 TYR A 39 10.369 8.093 -1.021 1.00 1.74 H new ATOM 0 HE1 TYR A 39 9.216 8.936 -5.784 1.00 3.44 H new ATOM 0 HE2 TYR A 39 12.172 8.517 -2.672 1.00 2.18 H new ATOM 0 HH TYR A 39 12.682 9.004 -4.774 1.00 3.43 H new ATOM 635 N ILE A 40 5.709 5.202 -0.488 1.00 0.33 N ATOM 636 CA ILE A 40 5.075 4.532 0.630 1.00 0.30 C ATOM 637 C ILE A 40 5.934 3.298 0.882 1.00 0.27 C ATOM 638 O ILE A 40 5.959 2.409 0.032 1.00 0.26 O ATOM 639 CB ILE A 40 3.620 4.142 0.291 1.00 0.37 C ATOM 640 CG1 ILE A 40 2.778 5.279 -0.331 1.00 0.44 C ATOM 641 CG2 ILE A 40 2.946 3.649 1.582 1.00 0.47 C ATOM 642 CD1 ILE A 40 1.543 4.764 -1.084 1.00 0.55 C ATOM 0 H ILE A 40 6.068 4.562 -1.196 1.00 0.33 H new ATOM 0 HA ILE A 40 5.013 5.172 1.510 1.00 0.30 H new ATOM 0 HB ILE A 40 3.667 3.366 -0.473 1.00 0.37 H new ATOM 0 HG12 ILE A 40 2.459 5.961 0.457 1.00 0.44 H new ATOM 0 HG13 ILE A 40 3.402 5.853 -1.016 1.00 0.44 H new ATOM 0 HG21 ILE A 40 1.915 3.367 1.369 1.00 0.47 H new ATOM 0 HG22 ILE A 40 3.487 2.785 1.968 1.00 0.47 H new ATOM 0 HG23 ILE A 40 2.958 4.446 2.326 1.00 0.47 H new ATOM 0 HD11 ILE A 40 0.992 5.608 -1.499 1.00 0.55 H new ATOM 0 HD12 ILE A 40 1.859 4.104 -1.892 1.00 0.55 H new ATOM 0 HD13 ILE A 40 0.901 4.214 -0.396 1.00 0.55 H new ATOM 654 N SER A 41 6.675 3.245 1.988 1.00 0.30 N ATOM 655 CA SER A 41 7.530 2.114 2.255 1.00 0.30 C ATOM 656 C SER A 41 6.705 0.853 2.451 1.00 0.29 C ATOM 657 O SER A 41 5.652 0.874 3.096 1.00 0.33 O ATOM 658 CB SER A 41 8.434 2.396 3.448 1.00 0.37 C ATOM 659 OG SER A 41 9.471 1.443 3.415 1.00 1.26 O ATOM 0 H SER A 41 6.694 3.972 2.703 1.00 0.30 H new ATOM 0 HA SER A 41 8.174 1.949 1.391 1.00 0.30 H new ATOM 0 HB2 SER A 41 8.838 3.407 3.395 1.00 0.37 H new ATOM 0 HB3 SER A 41 7.875 2.325 4.381 1.00 0.37 H new ATOM 0 HG SER A 41 10.078 1.593 4.170 1.00 1.26 H new ATOM 665 N ILE A 42 7.236 -0.269 1.960 1.00 0.30 N ATOM 666 CA ILE A 42 6.726 -1.583 2.312 1.00 0.37 C ATOM 667 C ILE A 42 6.704 -1.749 3.827 1.00 0.31 C ATOM 668 O ILE A 42 5.914 -2.540 4.321 1.00 0.32 O ATOM 669 CB ILE A 42 7.480 -2.715 1.587 1.00 0.51 C ATOM 670 CG1 ILE A 42 6.949 -4.088 2.034 1.00 1.72 C ATOM 671 CG2 ILE A 42 8.998 -2.618 1.816 1.00 2.37 C ATOM 672 CD1 ILE A 42 7.289 -5.201 1.038 1.00 2.45 C ATOM 0 H ILE A 42 8.025 -0.286 1.313 1.00 0.30 H new ATOM 0 HA ILE A 42 5.697 -1.659 1.961 1.00 0.37 H new ATOM 0 HB ILE A 42 7.301 -2.603 0.518 1.00 0.51 H new ATOM 0 HG12 ILE A 42 7.369 -4.336 3.009 1.00 1.72 H new ATOM 0 HG13 ILE A 42 5.867 -4.033 2.157 1.00 1.72 H new ATOM 0 HG21 ILE A 42 9.498 -3.432 1.291 1.00 2.37 H new ATOM 0 HG22 ILE A 42 9.363 -1.663 1.437 1.00 2.37 H new ATOM 0 HG23 ILE A 42 9.210 -2.690 2.883 1.00 2.37 H new ATOM 0 HD11 ILE A 42 6.891 -6.149 1.402 1.00 2.45 H new ATOM 0 HD12 ILE A 42 6.847 -4.970 0.069 1.00 2.45 H new ATOM 0 HD13 ILE A 42 8.371 -5.278 0.934 1.00 2.45 H new ATOM 684 N ASP A 43 7.502 -0.995 4.583 1.00 0.33 N ATOM 685 CA ASP A 43 7.448 -1.055 6.036 1.00 0.33 C ATOM 686 C ASP A 43 6.075 -0.606 6.537 1.00 0.33 C ATOM 687 O ASP A 43 5.495 -1.248 7.407 1.00 0.36 O ATOM 688 CB ASP A 43 8.566 -0.205 6.651 1.00 0.40 C ATOM 689 CG ASP A 43 9.939 -0.836 6.419 1.00 0.95 C ATOM 690 OD1 ASP A 43 10.297 -1.008 5.231 1.00 1.83 O ATOM 691 OD2 ASP A 43 10.607 -1.144 7.429 1.00 2.11 O ATOM 0 H ASP A 43 8.189 -0.339 4.211 1.00 0.33 H new ATOM 0 HA ASP A 43 7.601 -2.088 6.349 1.00 0.33 H new ATOM 0 HB2 ASP A 43 8.545 0.795 6.217 1.00 0.40 H new ATOM 0 HB3 ASP A 43 8.392 -0.092 7.721 1.00 0.40 H new ATOM 696 N VAL A 44 5.523 0.482 5.994 1.00 0.34 N ATOM 697 CA VAL A 44 4.234 0.998 6.410 1.00 0.37 C ATOM 698 C VAL A 44 3.148 0.008 6.019 1.00 0.35 C ATOM 699 O VAL A 44 2.304 -0.332 6.842 1.00 0.37 O ATOM 700 CB VAL A 44 4.034 2.411 5.827 1.00 0.38 C ATOM 701 CG1 VAL A 44 2.620 2.692 5.320 1.00 0.47 C ATOM 702 CG2 VAL A 44 4.391 3.427 6.912 1.00 0.39 C ATOM 0 H VAL A 44 5.965 1.025 5.252 1.00 0.34 H new ATOM 0 HA VAL A 44 4.181 1.104 7.493 1.00 0.37 H new ATOM 0 HB VAL A 44 4.683 2.490 4.954 1.00 0.38 H new ATOM 0 HG11 VAL A 44 2.569 3.708 4.927 1.00 0.47 H new ATOM 0 HG12 VAL A 44 2.370 1.985 4.529 1.00 0.47 H new ATOM 0 HG13 VAL A 44 1.911 2.585 6.141 1.00 0.47 H new ATOM 0 HG21 VAL A 44 4.257 4.437 6.523 1.00 0.39 H new ATOM 0 HG22 VAL A 44 3.741 3.281 7.775 1.00 0.39 H new ATOM 0 HG23 VAL A 44 5.430 3.288 7.213 1.00 0.39 H new ATOM 712 N ILE A 45 3.156 -0.478 4.777 1.00 0.32 N ATOM 713 CA ILE A 45 2.085 -1.356 4.320 1.00 0.30 C ATOM 714 C ILE A 45 2.172 -2.695 5.068 1.00 0.32 C ATOM 715 O ILE A 45 1.163 -3.305 5.407 1.00 0.39 O ATOM 716 CB ILE A 45 2.146 -1.537 2.794 1.00 0.34 C ATOM 717 CG1 ILE A 45 2.296 -0.208 2.005 1.00 0.43 C ATOM 718 CG2 ILE A 45 0.849 -2.199 2.311 1.00 0.40 C ATOM 719 CD1 ILE A 45 3.399 -0.218 0.939 1.00 0.57 C ATOM 0 H ILE A 45 3.878 -0.282 4.084 1.00 0.32 H new ATOM 0 HA ILE A 45 1.118 -0.905 4.543 1.00 0.30 H new ATOM 0 HB ILE A 45 3.030 -2.145 2.604 1.00 0.34 H new ATOM 0 HG12 ILE A 45 1.346 0.022 1.523 1.00 0.43 H new ATOM 0 HG13 ILE A 45 2.499 0.597 2.711 1.00 0.43 H new ATOM 0 HG21 ILE A 45 0.888 -2.329 1.230 1.00 0.40 H new ATOM 0 HG22 ILE A 45 0.737 -3.172 2.790 1.00 0.40 H new ATOM 0 HG23 ILE A 45 -0.000 -1.567 2.570 1.00 0.40 H new ATOM 0 HD11 ILE A 45 3.431 0.750 0.439 1.00 0.57 H new ATOM 0 HD12 ILE A 45 4.361 -0.414 1.413 1.00 0.57 H new ATOM 0 HD13 ILE A 45 3.190 -0.998 0.206 1.00 0.57 H new ATOM 731 N ALA A 46 3.381 -3.157 5.372 1.00 0.32 N ATOM 732 CA ALA A 46 3.579 -4.347 6.177 1.00 0.39 C ATOM 733 C ALA A 46 3.217 -4.075 7.634 1.00 0.48 C ATOM 734 O ALA A 46 2.916 -5.005 8.374 1.00 0.71 O ATOM 735 CB ALA A 46 5.029 -4.823 6.080 1.00 0.35 C ATOM 0 H ALA A 46 4.247 -2.714 5.065 1.00 0.32 H new ATOM 0 HA ALA A 46 2.925 -5.130 5.794 1.00 0.39 H new ATOM 0 HB1 ALA A 46 5.160 -5.717 6.690 1.00 0.35 H new ATOM 0 HB2 ALA A 46 5.267 -5.054 5.042 1.00 0.35 H new ATOM 0 HB3 ALA A 46 5.694 -4.038 6.439 1.00 0.35 H new ATOM 741 N SER A 47 3.239 -2.812 8.057 1.00 0.41 N ATOM 742 CA SER A 47 2.891 -2.416 9.412 1.00 0.47 C ATOM 743 C SER A 47 1.481 -1.816 9.459 1.00 0.53 C ATOM 744 O SER A 47 1.094 -1.255 10.482 1.00 0.73 O ATOM 745 CB SER A 47 3.964 -1.458 9.943 1.00 0.48 C ATOM 746 OG SER A 47 3.757 -1.165 11.311 1.00 0.66 O ATOM 0 H SER A 47 3.503 -2.029 7.458 1.00 0.41 H new ATOM 0 HA SER A 47 2.868 -3.289 10.064 1.00 0.47 H new ATOM 0 HB2 SER A 47 4.950 -1.902 9.809 1.00 0.48 H new ATOM 0 HB3 SER A 47 3.949 -0.534 9.364 1.00 0.48 H new ATOM 0 HG SER A 47 2.795 -1.128 11.496 1.00 0.66 H new ATOM 752 N PHE A 48 0.668 -1.987 8.410 1.00 0.42 N ATOM 753 CA PHE A 48 -0.711 -1.504 8.402 1.00 0.41 C ATOM 754 C PHE A 48 -1.597 -2.253 9.394 1.00 0.50 C ATOM 755 O PHE A 48 -2.757 -1.887 9.567 1.00 0.88 O ATOM 756 CB PHE A 48 -1.324 -1.659 7.000 1.00 0.34 C ATOM 757 CG PHE A 48 -1.750 -0.400 6.308 1.00 0.37 C ATOM 758 CD1 PHE A 48 -2.373 0.638 7.022 1.00 1.83 C ATOM 759 CD2 PHE A 48 -1.601 -0.323 4.913 1.00 2.02 C ATOM 760 CE1 PHE A 48 -2.824 1.770 6.334 1.00 1.84 C ATOM 761 CE2 PHE A 48 -2.065 0.800 4.222 1.00 2.10 C ATOM 762 CZ PHE A 48 -2.676 1.835 4.938 1.00 0.71 C ATOM 0 H PHE A 48 0.948 -2.461 7.551 1.00 0.42 H new ATOM 0 HA PHE A 48 -0.671 -0.455 8.694 1.00 0.41 H new ATOM 0 HB2 PHE A 48 -0.598 -2.167 6.365 1.00 0.34 H new ATOM 0 HB3 PHE A 48 -2.192 -2.314 7.079 1.00 0.34 H new ATOM 0 HD1 PHE A 48 -2.502 0.563 8.092 1.00 1.83 H new ATOM 0 HD2 PHE A 48 -1.128 -1.131 4.375 1.00 2.02 H new ATOM 0 HE1 PHE A 48 -3.282 2.587 6.871 1.00 1.84 H new ATOM 0 HE2 PHE A 48 -1.953 0.868 3.150 1.00 2.10 H new ATOM 0 HZ PHE A 48 -3.041 2.702 4.407 1.00 0.71 H new ATOM 772 N ASN A 49 -1.100 -3.349 9.972 1.00 0.49 N ATOM 773 CA ASN A 49 -1.855 -4.303 10.768 1.00 0.52 C ATOM 774 C ASN A 49 -2.784 -5.111 9.869 1.00 0.47 C ATOM 775 O ASN A 49 -2.526 -6.283 9.622 1.00 0.42 O ATOM 776 CB ASN A 49 -2.574 -3.631 11.949 1.00 0.66 C ATOM 777 CG ASN A 49 -2.972 -4.659 12.996 1.00 0.90 C ATOM 778 OD1 ASN A 49 -2.577 -5.816 12.927 1.00 1.52 O ATOM 779 ND2 ASN A 49 -3.754 -4.256 13.987 1.00 1.53 N ATOM 0 H ASN A 49 -0.115 -3.602 9.891 1.00 0.49 H new ATOM 0 HA ASN A 49 -1.160 -5.005 11.228 1.00 0.52 H new ATOM 0 HB2 ASN A 49 -1.922 -2.882 12.398 1.00 0.66 H new ATOM 0 HB3 ASN A 49 -3.461 -3.108 11.591 1.00 0.66 H new ATOM 0 HD21 ASN A 49 -4.039 -4.914 14.712 1.00 1.53 H new ATOM 0 HD22 ASN A 49 -4.071 -3.287 14.025 1.00 1.53 H new ATOM 786 N ARG A 50 -3.833 -4.505 9.308 1.00 0.55 N ATOM 787 CA ARG A 50 -4.791 -5.195 8.444 1.00 0.55 C ATOM 788 C ARG A 50 -4.117 -5.855 7.239 1.00 0.50 C ATOM 789 O ARG A 50 -4.517 -6.932 6.821 1.00 0.53 O ATOM 790 CB ARG A 50 -5.881 -4.204 8.019 1.00 0.64 C ATOM 791 CG ARG A 50 -7.084 -4.914 7.390 1.00 0.70 C ATOM 792 CD ARG A 50 -8.151 -3.871 7.052 1.00 0.63 C ATOM 793 NE ARG A 50 -9.459 -4.491 6.777 1.00 1.29 N ATOM 794 CZ ARG A 50 -10.501 -3.855 6.225 1.00 2.05 C ATOM 795 NH1 ARG A 50 -10.322 -2.711 5.567 1.00 3.18 N ATOM 796 NH2 ARG A 50 -11.729 -4.364 6.344 1.00 2.55 N ATOM 0 H ARG A 50 -4.042 -3.516 9.442 1.00 0.55 H new ATOM 0 HA ARG A 50 -5.247 -6.010 9.006 1.00 0.55 H new ATOM 0 HB2 ARG A 50 -6.210 -3.632 8.887 1.00 0.64 H new ATOM 0 HB3 ARG A 50 -5.466 -3.492 7.306 1.00 0.64 H new ATOM 0 HG2 ARG A 50 -6.779 -5.447 6.490 1.00 0.70 H new ATOM 0 HG3 ARG A 50 -7.487 -5.656 8.079 1.00 0.70 H new ATOM 0 HD2 ARG A 50 -8.249 -3.170 7.881 1.00 0.63 H new ATOM 0 HD3 ARG A 50 -7.833 -3.295 6.183 1.00 0.63 H new ATOM 0 HE ARG A 50 -9.580 -5.473 7.024 1.00 1.29 H new ATOM 0 HH11 ARG A 50 -9.387 -2.313 5.481 1.00 3.18 H new ATOM 0 HH12 ARG A 50 -11.120 -2.233 5.149 1.00 3.18 H new ATOM 0 HH21 ARG A 50 -11.873 -5.235 6.854 1.00 2.55 H new ATOM 0 HH22 ARG A 50 -12.524 -3.882 5.925 1.00 2.55 H new ATOM 810 N MET A 51 -3.098 -5.231 6.653 1.00 0.45 N ATOM 811 CA MET A 51 -2.382 -5.838 5.539 1.00 0.42 C ATOM 812 C MET A 51 -1.508 -6.971 6.063 1.00 0.41 C ATOM 813 O MET A 51 -1.456 -8.023 5.436 1.00 0.45 O ATOM 814 CB MET A 51 -1.547 -4.819 4.742 1.00 0.55 C ATOM 815 CG MET A 51 -2.158 -4.485 3.373 1.00 0.96 C ATOM 816 SD MET A 51 -3.290 -3.071 3.279 1.00 1.62 S ATOM 817 CE MET A 51 -4.600 -3.603 4.400 1.00 2.02 C ATOM 0 H MET A 51 -2.753 -4.312 6.930 1.00 0.45 H new ATOM 0 HA MET A 51 -3.120 -6.234 4.841 1.00 0.42 H new ATOM 0 HB2 MET A 51 -1.450 -3.903 5.324 1.00 0.55 H new ATOM 0 HB3 MET A 51 -0.541 -5.214 4.599 1.00 0.55 H new ATOM 0 HG2 MET A 51 -1.340 -4.307 2.675 1.00 0.96 H new ATOM 0 HG3 MET A 51 -2.692 -5.367 3.020 1.00 0.96 H new ATOM 0 HE1 MET A 51 -5.532 -3.105 4.132 1.00 2.02 H new ATOM 0 HE2 MET A 51 -4.729 -4.682 4.322 1.00 2.02 H new ATOM 0 HE3 MET A 51 -4.331 -3.343 5.424 1.00 2.02 H new ATOM 827 N LYS A 52 -0.827 -6.793 7.201 1.00 0.41 N ATOM 828 CA LYS A 52 0.027 -7.839 7.761 1.00 0.44 C ATOM 829 C LYS A 52 -0.771 -9.110 7.990 1.00 0.45 C ATOM 830 O LYS A 52 -0.316 -10.200 7.667 1.00 0.56 O ATOM 831 CB LYS A 52 0.668 -7.374 9.079 1.00 0.46 C ATOM 832 CG LYS A 52 1.742 -8.340 9.608 1.00 0.56 C ATOM 833 CD LYS A 52 2.994 -8.408 8.721 1.00 2.22 C ATOM 834 CE LYS A 52 3.971 -9.487 9.202 1.00 2.07 C ATOM 835 NZ LYS A 52 4.544 -9.179 10.531 1.00 2.44 N ATOM 0 H LYS A 52 -0.853 -5.934 7.750 1.00 0.41 H new ATOM 0 HA LYS A 52 0.822 -8.046 7.044 1.00 0.44 H new ATOM 0 HB2 LYS A 52 1.115 -6.391 8.930 1.00 0.46 H new ATOM 0 HB3 LYS A 52 -0.111 -7.259 9.833 1.00 0.46 H new ATOM 0 HG2 LYS A 52 2.034 -8.032 10.612 1.00 0.56 H new ATOM 0 HG3 LYS A 52 1.312 -9.338 9.693 1.00 0.56 H new ATOM 0 HD2 LYS A 52 2.700 -8.615 7.692 1.00 2.22 H new ATOM 0 HD3 LYS A 52 3.493 -7.439 8.721 1.00 2.22 H new ATOM 0 HE2 LYS A 52 3.455 -10.446 9.245 1.00 2.07 H new ATOM 0 HE3 LYS A 52 4.778 -9.591 8.477 1.00 2.07 H new ATOM 0 HZ1 LYS A 52 5.236 -9.912 10.789 1.00 2.44 H new ATOM 0 HZ2 LYS A 52 5.016 -8.253 10.499 1.00 2.44 H new ATOM 0 HZ3 LYS A 52 3.784 -9.156 11.240 1.00 2.44 H new ATOM 849 N THR A 53 -1.949 -8.961 8.582 1.00 0.41 N ATOM 850 CA THR A 53 -2.825 -10.050 8.952 1.00 0.44 C ATOM 851 C THR A 53 -3.400 -10.686 7.696 1.00 0.43 C ATOM 852 O THR A 53 -3.221 -11.883 7.487 1.00 0.51 O ATOM 853 CB THR A 53 -3.905 -9.515 9.899 1.00 0.54 C ATOM 854 OG1 THR A 53 -4.490 -8.343 9.382 1.00 0.56 O ATOM 855 CG2 THR A 53 -3.263 -9.162 11.241 1.00 0.58 C ATOM 0 H THR A 53 -2.328 -8.045 8.823 1.00 0.41 H new ATOM 0 HA THR A 53 -2.280 -10.831 9.482 1.00 0.44 H new ATOM 0 HB THR A 53 -4.669 -10.284 10.015 1.00 0.54 H new ATOM 0 HG1 THR A 53 -3.911 -7.576 9.574 1.00 0.56 H new ATOM 0 HG21 THR A 53 -4.026 -8.781 11.920 1.00 0.58 H new ATOM 0 HG22 THR A 53 -2.807 -10.053 11.672 1.00 0.58 H new ATOM 0 HG23 THR A 53 -2.498 -8.400 11.089 1.00 0.58 H new ATOM 863 N ILE A 54 -4.045 -9.899 6.828 1.00 0.43 N ATOM 864 CA ILE A 54 -4.680 -10.457 5.633 1.00 0.47 C ATOM 865 C ILE A 54 -3.637 -11.147 4.745 1.00 0.46 C ATOM 866 O ILE A 54 -3.942 -12.139 4.088 1.00 0.54 O ATOM 867 CB ILE A 54 -5.476 -9.366 4.887 1.00 0.53 C ATOM 868 CG1 ILE A 54 -6.628 -8.808 5.741 1.00 0.58 C ATOM 869 CG2 ILE A 54 -6.006 -9.846 3.527 1.00 0.65 C ATOM 870 CD1 ILE A 54 -7.834 -9.736 5.767 1.00 1.34 C ATOM 0 H ILE A 54 -4.140 -8.888 6.929 1.00 0.43 H new ATOM 0 HA ILE A 54 -5.397 -11.223 5.928 1.00 0.47 H new ATOM 0 HB ILE A 54 -4.767 -8.560 4.699 1.00 0.53 H new ATOM 0 HG12 ILE A 54 -6.276 -8.646 6.760 1.00 0.58 H new ATOM 0 HG13 ILE A 54 -6.929 -7.836 5.349 1.00 0.58 H new ATOM 0 HG21 ILE A 54 -6.558 -9.039 3.046 1.00 0.65 H new ATOM 0 HG22 ILE A 54 -5.169 -10.141 2.894 1.00 0.65 H new ATOM 0 HG23 ILE A 54 -6.667 -10.700 3.675 1.00 0.65 H new ATOM 0 HD11 ILE A 54 -8.618 -9.296 6.383 1.00 1.34 H new ATOM 0 HD12 ILE A 54 -8.206 -9.878 4.752 1.00 1.34 H new ATOM 0 HD13 ILE A 54 -7.543 -10.700 6.184 1.00 1.34 H new ATOM 882 N SER A 55 -2.402 -10.645 4.726 1.00 0.40 N ATOM 883 CA SER A 55 -1.328 -11.272 3.968 1.00 0.41 C ATOM 884 C SER A 55 -0.761 -12.481 4.689 1.00 0.44 C ATOM 885 O SER A 55 -0.308 -13.415 4.037 1.00 0.50 O ATOM 886 CB SER A 55 -0.203 -10.275 3.693 1.00 0.37 C ATOM 887 OG SER A 55 -0.711 -9.168 2.987 1.00 1.89 O ATOM 0 H SER A 55 -2.124 -9.803 5.230 1.00 0.40 H new ATOM 0 HA SER A 55 -1.759 -11.604 3.023 1.00 0.41 H new ATOM 0 HB2 SER A 55 0.242 -9.946 4.632 1.00 0.37 H new ATOM 0 HB3 SER A 55 0.588 -10.755 3.116 1.00 0.37 H new ATOM 0 HG SER A 55 -1.083 -8.519 3.620 1.00 1.89 H new ATOM 893 N THR A 56 -0.692 -12.432 6.018 1.00 0.44 N ATOM 894 CA THR A 56 -0.030 -13.422 6.856 1.00 0.53 C ATOM 895 C THR A 56 1.489 -13.528 6.603 1.00 0.54 C ATOM 896 O THR A 56 2.193 -14.125 7.412 1.00 0.73 O ATOM 897 CB THR A 56 -0.812 -14.742 6.738 1.00 0.65 C ATOM 898 OG1 THR A 56 -2.098 -14.543 7.292 1.00 0.71 O ATOM 899 CG2 THR A 56 -0.189 -15.921 7.485 1.00 0.86 C ATOM 0 H THR A 56 -1.111 -11.674 6.557 1.00 0.44 H new ATOM 0 HA THR A 56 -0.057 -13.107 7.899 1.00 0.53 H new ATOM 0 HB THR A 56 -0.819 -14.994 5.677 1.00 0.65 H new ATOM 0 HG1 THR A 56 -2.315 -13.587 7.280 1.00 0.71 H new ATOM 0 HG21 THR A 56 -0.807 -16.808 7.346 1.00 0.86 H new ATOM 0 HG22 THR A 56 0.811 -16.111 7.095 1.00 0.86 H new ATOM 0 HG23 THR A 56 -0.126 -15.686 8.547 1.00 0.86 H new ATOM 907 N ASP A 57 2.036 -12.919 5.544 1.00 0.46 N ATOM 908 CA ASP A 57 3.416 -13.074 5.141 1.00 0.47 C ATOM 909 C ASP A 57 3.822 -11.807 4.386 1.00 0.42 C ATOM 910 O ASP A 57 3.045 -11.262 3.598 1.00 0.40 O ATOM 911 CB ASP A 57 3.525 -14.314 4.244 1.00 0.57 C ATOM 912 CG ASP A 57 4.969 -14.674 3.910 1.00 0.66 C ATOM 913 OD1 ASP A 57 5.861 -13.865 4.254 1.00 1.44 O ATOM 914 OD2 ASP A 57 5.157 -15.725 3.266 1.00 1.82 O ATOM 0 H ASP A 57 1.508 -12.292 4.937 1.00 0.46 H new ATOM 0 HA ASP A 57 4.077 -13.210 5.997 1.00 0.47 H new ATOM 0 HB2 ASP A 57 3.050 -15.160 4.741 1.00 0.57 H new ATOM 0 HB3 ASP A 57 2.976 -14.138 3.319 1.00 0.57 H new ATOM 919 N LEU A 58 5.049 -11.345 4.615 1.00 0.46 N ATOM 920 CA LEU A 58 5.680 -10.262 3.872 1.00 0.47 C ATOM 921 C LEU A 58 5.739 -10.581 2.386 1.00 0.44 C ATOM 922 O LEU A 58 5.644 -9.685 1.566 1.00 0.50 O ATOM 923 CB LEU A 58 7.089 -9.990 4.426 1.00 0.63 C ATOM 924 CG LEU A 58 7.063 -8.926 5.531 1.00 0.57 C ATOM 925 CD1 LEU A 58 8.238 -9.116 6.491 1.00 1.28 C ATOM 926 CD2 LEU A 58 7.149 -7.527 4.915 1.00 1.17 C ATOM 0 H LEU A 58 5.649 -11.727 5.346 1.00 0.46 H new ATOM 0 HA LEU A 58 5.076 -9.363 3.996 1.00 0.47 H new ATOM 0 HB2 LEU A 58 7.511 -10.915 4.820 1.00 0.63 H new ATOM 0 HB3 LEU A 58 7.742 -9.661 3.618 1.00 0.63 H new ATOM 0 HG LEU A 58 6.128 -9.033 6.081 1.00 0.57 H new ATOM 0 HD11 LEU A 58 8.201 -8.351 7.267 1.00 1.28 H new ATOM 0 HD12 LEU A 58 8.177 -10.103 6.950 1.00 1.28 H new ATOM 0 HD13 LEU A 58 9.175 -9.030 5.941 1.00 1.28 H new ATOM 0 HD21 LEU A 58 7.130 -6.779 5.707 1.00 1.17 H new ATOM 0 HD22 LEU A 58 8.077 -7.434 4.351 1.00 1.17 H new ATOM 0 HD23 LEU A 58 6.301 -7.371 4.248 1.00 1.17 H new ATOM 938 N GLN A 59 5.859 -11.850 2.028 1.00 0.42 N ATOM 939 CA GLN A 59 5.918 -12.335 0.663 1.00 0.43 C ATOM 940 C GLN A 59 4.635 -11.952 -0.059 1.00 0.39 C ATOM 941 O GLN A 59 4.670 -11.447 -1.175 1.00 0.43 O ATOM 942 CB GLN A 59 6.076 -13.856 0.713 1.00 0.51 C ATOM 943 CG GLN A 59 6.280 -14.497 -0.666 1.00 0.57 C ATOM 944 CD GLN A 59 7.574 -14.045 -1.336 1.00 1.44 C ATOM 945 OE1 GLN A 59 8.584 -13.814 -0.684 1.00 2.58 O ATOM 946 NE2 GLN A 59 7.578 -13.907 -2.655 1.00 2.37 N ATOM 0 H GLN A 59 5.920 -12.602 2.714 1.00 0.42 H new ATOM 0 HA GLN A 59 6.758 -11.896 0.125 1.00 0.43 H new ATOM 0 HB2 GLN A 59 6.926 -14.104 1.349 1.00 0.51 H new ATOM 0 HB3 GLN A 59 5.191 -14.290 1.179 1.00 0.51 H new ATOM 0 HG2 GLN A 59 6.289 -15.582 -0.561 1.00 0.57 H new ATOM 0 HG3 GLN A 59 5.436 -14.246 -1.308 1.00 0.57 H new ATOM 0 HE21 GLN A 59 6.732 -14.102 -3.191 1.00 2.37 H new ATOM 0 HE22 GLN A 59 8.427 -13.606 -3.134 1.00 2.37 H new ATOM 955 N LEU A 60 3.495 -12.199 0.584 1.00 0.40 N ATOM 956 CA LEU A 60 2.184 -11.861 0.065 1.00 0.46 C ATOM 957 C LEU A 60 2.000 -10.354 0.011 1.00 0.39 C ATOM 958 O LEU A 60 1.340 -9.858 -0.897 1.00 0.40 O ATOM 959 CB LEU A 60 1.129 -12.556 0.938 1.00 0.57 C ATOM 960 CG LEU A 60 0.681 -13.849 0.247 1.00 0.75 C ATOM 961 CD1 LEU A 60 0.079 -14.836 1.249 1.00 2.83 C ATOM 962 CD2 LEU A 60 -0.325 -13.524 -0.867 1.00 1.99 C ATOM 0 H LEU A 60 3.463 -12.649 1.499 1.00 0.40 H new ATOM 0 HA LEU A 60 2.073 -12.214 -0.960 1.00 0.46 H new ATOM 0 HB2 LEU A 60 1.542 -12.779 1.922 1.00 0.57 H new ATOM 0 HB3 LEU A 60 0.275 -11.897 1.093 1.00 0.57 H new ATOM 0 HG LEU A 60 1.557 -14.324 -0.194 1.00 0.75 H new ATOM 0 HD11 LEU A 60 -0.229 -15.742 0.727 1.00 2.83 H new ATOM 0 HD12 LEU A 60 0.824 -15.087 2.004 1.00 2.83 H new ATOM 0 HD13 LEU A 60 -0.788 -14.383 1.730 1.00 2.83 H new ATOM 0 HD21 LEU A 60 -0.639 -14.447 -1.354 1.00 1.99 H new ATOM 0 HD22 LEU A 60 -1.194 -13.026 -0.438 1.00 1.99 H new ATOM 0 HD23 LEU A 60 0.144 -12.868 -1.601 1.00 1.99 H new ATOM 974 N ILE A 61 2.607 -9.608 0.935 1.00 0.33 N ATOM 975 CA ILE A 61 2.538 -8.153 0.849 1.00 0.31 C ATOM 976 C ILE A 61 3.360 -7.670 -0.352 1.00 0.29 C ATOM 977 O ILE A 61 2.956 -6.763 -1.081 1.00 0.31 O ATOM 978 CB ILE A 61 2.935 -7.514 2.202 1.00 0.38 C ATOM 979 CG1 ILE A 61 1.799 -6.600 2.678 1.00 0.49 C ATOM 980 CG2 ILE A 61 4.250 -6.724 2.214 1.00 0.50 C ATOM 981 CD1 ILE A 61 1.643 -5.359 1.798 1.00 0.82 C ATOM 0 H ILE A 61 3.135 -9.974 1.727 1.00 0.33 H new ATOM 0 HA ILE A 61 1.515 -7.825 0.667 1.00 0.31 H new ATOM 0 HB ILE A 61 3.104 -8.356 2.873 1.00 0.38 H new ATOM 0 HG12 ILE A 61 0.863 -7.159 2.682 1.00 0.49 H new ATOM 0 HG13 ILE A 61 1.991 -6.292 3.706 1.00 0.49 H new ATOM 0 HG21 ILE A 61 4.425 -6.323 3.212 1.00 0.50 H new ATOM 0 HG22 ILE A 61 5.073 -7.383 1.939 1.00 0.50 H new ATOM 0 HG23 ILE A 61 4.188 -5.903 1.499 1.00 0.50 H new ATOM 0 HD11 ILE A 61 0.826 -4.745 2.177 1.00 0.82 H new ATOM 0 HD12 ILE A 61 2.568 -4.783 1.814 1.00 0.82 H new ATOM 0 HD13 ILE A 61 1.424 -5.664 0.775 1.00 0.82 H new ATOM 993 N THR A 62 4.513 -8.291 -0.585 1.00 0.33 N ATOM 994 CA THR A 62 5.409 -7.896 -1.656 1.00 0.46 C ATOM 995 C THR A 62 4.740 -8.200 -2.982 1.00 0.42 C ATOM 996 O THR A 62 4.783 -7.384 -3.895 1.00 0.44 O ATOM 997 CB THR A 62 6.761 -8.610 -1.517 1.00 0.70 C ATOM 998 OG1 THR A 62 7.416 -8.162 -0.351 1.00 1.29 O ATOM 999 CG2 THR A 62 7.689 -8.340 -2.703 1.00 1.05 C ATOM 0 H THR A 62 4.848 -9.081 -0.034 1.00 0.33 H new ATOM 0 HA THR A 62 5.612 -6.826 -1.603 1.00 0.46 H new ATOM 0 HB THR A 62 6.549 -9.678 -1.474 1.00 0.70 H new ATOM 0 HG1 THR A 62 6.983 -8.551 0.437 1.00 1.29 H new ATOM 0 HG21 THR A 62 8.631 -8.868 -2.555 1.00 1.05 H new ATOM 0 HG22 THR A 62 7.217 -8.690 -3.621 1.00 1.05 H new ATOM 0 HG23 THR A 62 7.881 -7.270 -2.779 1.00 1.05 H new ATOM 1007 N GLU A 63 4.107 -9.365 -3.093 1.00 0.42 N ATOM 1008 CA GLU A 63 3.410 -9.741 -4.303 1.00 0.50 C ATOM 1009 C GLU A 63 2.260 -8.782 -4.540 1.00 0.39 C ATOM 1010 O GLU A 63 2.066 -8.338 -5.670 1.00 0.39 O ATOM 1011 CB GLU A 63 2.922 -11.189 -4.210 1.00 0.71 C ATOM 1012 CG GLU A 63 2.267 -11.604 -5.532 1.00 0.92 C ATOM 1013 CD GLU A 63 1.712 -13.026 -5.458 1.00 1.36 C ATOM 1014 OE1 GLU A 63 0.628 -13.189 -4.846 1.00 2.51 O ATOM 1015 OE2 GLU A 63 2.369 -13.926 -6.025 1.00 1.68 O ATOM 0 H GLU A 63 4.067 -10.063 -2.351 1.00 0.42 H new ATOM 0 HA GLU A 63 4.092 -9.680 -5.151 1.00 0.50 H new ATOM 0 HB2 GLU A 63 3.759 -11.850 -3.985 1.00 0.71 H new ATOM 0 HB3 GLU A 63 2.208 -11.290 -3.393 1.00 0.71 H new ATOM 0 HG2 GLU A 63 1.462 -10.910 -5.774 1.00 0.92 H new ATOM 0 HG3 GLU A 63 2.998 -11.539 -6.338 1.00 0.92 H new ATOM 1022 N ALA A 64 1.513 -8.434 -3.490 1.00 0.35 N ATOM 1023 CA ALA A 64 0.365 -7.555 -3.685 1.00 0.35 C ATOM 1024 C ALA A 64 0.813 -6.231 -4.310 1.00 0.33 C ATOM 1025 O ALA A 64 0.183 -5.695 -5.221 1.00 0.41 O ATOM 1026 CB ALA A 64 -0.346 -7.281 -2.365 1.00 0.39 C ATOM 0 H ALA A 64 1.675 -8.736 -2.529 1.00 0.35 H new ATOM 0 HA ALA A 64 -0.331 -8.057 -4.357 1.00 0.35 H new ATOM 0 HB1 ALA A 64 -1.197 -6.623 -2.540 1.00 0.39 H new ATOM 0 HB2 ALA A 64 -0.695 -8.221 -1.938 1.00 0.39 H new ATOM 0 HB3 ALA A 64 0.346 -6.802 -1.672 1.00 0.39 H new ATOM 1032 N LEU A 65 1.922 -5.682 -3.817 1.00 0.31 N ATOM 1033 CA LEU A 65 2.454 -4.444 -4.357 1.00 0.35 C ATOM 1034 C LEU A 65 2.934 -4.672 -5.786 1.00 0.35 C ATOM 1035 O LEU A 65 2.627 -3.885 -6.679 1.00 0.38 O ATOM 1036 CB LEU A 65 3.565 -3.928 -3.442 1.00 0.40 C ATOM 1037 CG LEU A 65 2.964 -3.345 -2.154 1.00 0.41 C ATOM 1038 CD1 LEU A 65 4.049 -3.180 -1.091 1.00 0.52 C ATOM 1039 CD2 LEU A 65 2.327 -1.977 -2.410 1.00 0.47 C ATOM 0 H LEU A 65 2.463 -6.077 -3.048 1.00 0.31 H new ATOM 0 HA LEU A 65 1.678 -3.680 -4.395 1.00 0.35 H new ATOM 0 HB2 LEU A 65 4.251 -4.739 -3.197 1.00 0.40 H new ATOM 0 HB3 LEU A 65 4.146 -3.164 -3.959 1.00 0.40 H new ATOM 0 HG LEU A 65 2.199 -4.040 -1.808 1.00 0.41 H new ATOM 0 HD11 LEU A 65 3.609 -2.766 -0.184 1.00 0.52 H new ATOM 0 HD12 LEU A 65 4.492 -4.151 -0.869 1.00 0.52 H new ATOM 0 HD13 LEU A 65 4.821 -2.505 -1.461 1.00 0.52 H new ATOM 0 HD21 LEU A 65 1.910 -1.590 -1.480 1.00 0.47 H new ATOM 0 HD22 LEU A 65 3.084 -1.287 -2.783 1.00 0.47 H new ATOM 0 HD23 LEU A 65 1.532 -2.078 -3.149 1.00 0.47 H new ATOM 1051 N LYS A 66 3.634 -5.783 -6.020 1.00 0.36 N ATOM 1052 CA LYS A 66 4.177 -6.134 -7.327 1.00 0.44 C ATOM 1053 C LYS A 66 3.077 -6.137 -8.381 1.00 0.39 C ATOM 1054 O LYS A 66 3.298 -5.743 -9.522 1.00 0.46 O ATOM 1055 CB LYS A 66 4.897 -7.489 -7.268 1.00 0.57 C ATOM 1056 CG LYS A 66 5.787 -7.663 -8.504 1.00 0.92 C ATOM 1057 CD LYS A 66 6.226 -9.117 -8.687 1.00 1.54 C ATOM 1058 CE LYS A 66 6.990 -9.213 -10.012 1.00 1.96 C ATOM 1059 NZ LYS A 66 7.208 -10.613 -10.428 1.00 3.22 N ATOM 0 H LYS A 66 3.841 -6.471 -5.296 1.00 0.36 H new ATOM 0 HA LYS A 66 4.910 -5.379 -7.612 1.00 0.44 H new ATOM 0 HB2 LYS A 66 5.501 -7.550 -6.363 1.00 0.57 H new ATOM 0 HB3 LYS A 66 4.167 -8.297 -7.219 1.00 0.57 H new ATOM 0 HG2 LYS A 66 5.246 -7.332 -9.391 1.00 0.92 H new ATOM 0 HG3 LYS A 66 6.667 -7.026 -8.411 1.00 0.92 H new ATOM 0 HD2 LYS A 66 6.859 -9.432 -7.857 1.00 1.54 H new ATOM 0 HD3 LYS A 66 5.360 -9.779 -8.697 1.00 1.54 H new ATOM 0 HE2 LYS A 66 6.435 -8.687 -10.789 1.00 1.96 H new ATOM 0 HE3 LYS A 66 7.952 -8.711 -9.912 1.00 1.96 H new ATOM 0 HZ1 LYS A 66 7.728 -10.631 -11.328 1.00 3.22 H new ATOM 0 HZ2 LYS A 66 7.760 -11.110 -9.700 1.00 3.22 H new ATOM 0 HZ3 LYS A 66 6.290 -11.086 -10.549 1.00 3.22 H new ATOM 1073 N LYS A 67 1.897 -6.620 -8.005 1.00 0.37 N ATOM 1074 CA LYS A 67 0.802 -6.883 -8.914 1.00 0.42 C ATOM 1075 C LYS A 67 -0.308 -5.845 -8.749 1.00 0.40 C ATOM 1076 O LYS A 67 -1.456 -6.150 -9.055 1.00 0.58 O ATOM 1077 CB LYS A 67 0.318 -8.310 -8.615 1.00 0.51 C ATOM 1078 CG LYS A 67 -0.085 -9.048 -9.887 1.00 1.03 C ATOM 1079 CD LYS A 67 -0.392 -10.501 -9.526 1.00 1.01 C ATOM 1080 CE LYS A 67 -0.876 -11.224 -10.777 1.00 2.08 C ATOM 1081 NZ LYS A 67 -1.106 -12.653 -10.504 1.00 2.01 N ATOM 0 H LYS A 67 1.677 -6.843 -7.034 1.00 0.37 H new ATOM 0 HA LYS A 67 1.120 -6.807 -9.954 1.00 0.42 H new ATOM 0 HB2 LYS A 67 1.109 -8.864 -8.108 1.00 0.51 H new ATOM 0 HB3 LYS A 67 -0.531 -8.271 -7.933 1.00 0.51 H new ATOM 0 HG2 LYS A 67 -0.958 -8.577 -10.338 1.00 1.03 H new ATOM 0 HG3 LYS A 67 0.718 -9.002 -10.623 1.00 1.03 H new ATOM 0 HD2 LYS A 67 0.499 -10.988 -9.129 1.00 1.01 H new ATOM 0 HD3 LYS A 67 -1.153 -10.544 -8.747 1.00 1.01 H new ATOM 0 HE2 LYS A 67 -1.798 -10.765 -11.133 1.00 2.08 H new ATOM 0 HE3 LYS A 67 -0.138 -11.116 -11.572 1.00 2.08 H new ATOM 0 HZ1 LYS A 67 -0.611 -13.227 -11.217 1.00 2.01 H new ATOM 0 HZ2 LYS A 67 -0.744 -12.888 -9.558 1.00 2.01 H new ATOM 0 HZ3 LYS A 67 -2.126 -12.854 -10.544 1.00 2.01 H new ATOM 1095 N SER A 68 0.001 -4.655 -8.223 1.00 0.40 N ATOM 1096 CA SER A 68 -1.018 -3.685 -7.849 1.00 0.43 C ATOM 1097 C SER A 68 -1.891 -3.242 -9.023 1.00 0.40 C ATOM 1098 O SER A 68 -1.511 -3.342 -10.185 1.00 0.57 O ATOM 1099 CB SER A 68 -0.355 -2.487 -7.177 1.00 0.62 C ATOM 1100 OG SER A 68 -0.051 -2.838 -5.846 1.00 2.24 O ATOM 0 H SER A 68 0.957 -4.345 -8.048 1.00 0.40 H new ATOM 0 HA SER A 68 -1.694 -4.175 -7.148 1.00 0.43 H new ATOM 0 HB2 SER A 68 0.552 -2.206 -7.712 1.00 0.62 H new ATOM 0 HB3 SER A 68 -1.019 -1.623 -7.200 1.00 0.62 H new ATOM 0 HG SER A 68 -0.003 -3.814 -5.768 1.00 2.24 H new ATOM 1106 N THR A 69 -3.077 -2.739 -8.670 1.00 0.39 N ATOM 1107 CA THR A 69 -4.155 -2.398 -9.588 1.00 0.42 C ATOM 1108 C THR A 69 -4.226 -0.873 -9.710 1.00 0.51 C ATOM 1109 O THR A 69 -3.744 -0.297 -10.681 1.00 0.83 O ATOM 1110 CB THR A 69 -5.465 -3.099 -9.145 1.00 0.47 C ATOM 1111 OG1 THR A 69 -6.584 -2.497 -9.761 1.00 0.68 O ATOM 1112 CG2 THR A 69 -5.725 -3.132 -7.620 1.00 0.61 C ATOM 0 H THR A 69 -3.317 -2.553 -7.696 1.00 0.39 H new ATOM 0 HA THR A 69 -3.973 -2.771 -10.596 1.00 0.42 H new ATOM 0 HB THR A 69 -5.326 -4.132 -9.463 1.00 0.47 H new ATOM 0 HG1 THR A 69 -7.402 -2.953 -9.471 1.00 0.68 H new ATOM 0 HG21 THR A 69 -6.666 -3.645 -7.422 1.00 0.61 H new ATOM 0 HG22 THR A 69 -4.912 -3.662 -7.124 1.00 0.61 H new ATOM 0 HG23 THR A 69 -5.780 -2.113 -7.238 1.00 0.61 H new ATOM 1120 N ARG A 70 -4.737 -0.181 -8.690 1.00 0.47 N ATOM 1121 CA ARG A 70 -4.863 1.271 -8.719 1.00 0.58 C ATOM 1122 C ARG A 70 -3.562 1.966 -8.312 1.00 0.51 C ATOM 1123 O ARG A 70 -3.521 3.195 -8.259 1.00 0.59 O ATOM 1124 CB ARG A 70 -6.016 1.696 -7.791 1.00 0.75 C ATOM 1125 CG ARG A 70 -7.284 2.031 -8.579 1.00 1.18 C ATOM 1126 CD ARG A 70 -8.118 0.801 -8.944 1.00 2.32 C ATOM 1127 NE ARG A 70 -9.185 0.541 -7.966 1.00 3.57 N ATOM 1128 CZ ARG A 70 -10.243 1.325 -7.712 1.00 4.58 C ATOM 1129 NH1 ARG A 70 -10.439 2.430 -8.429 1.00 4.58 N ATOM 1130 NH2 ARG A 70 -11.099 1.031 -6.736 1.00 6.25 N ATOM 0 H ARG A 70 -5.072 -0.611 -7.828 1.00 0.47 H new ATOM 0 HA ARG A 70 -5.079 1.577 -9.742 1.00 0.58 H new ATOM 0 HB2 ARG A 70 -6.228 0.894 -7.084 1.00 0.75 H new ATOM 0 HB3 ARG A 70 -5.711 2.564 -7.206 1.00 0.75 H new ATOM 0 HG2 ARG A 70 -7.897 2.715 -7.992 1.00 1.18 H new ATOM 0 HG3 ARG A 70 -7.006 2.556 -9.493 1.00 1.18 H new ATOM 0 HD2 ARG A 70 -8.559 0.943 -9.931 1.00 2.32 H new ATOM 0 HD3 ARG A 70 -7.467 -0.071 -9.009 1.00 2.32 H new ATOM 0 HE ARG A 70 -9.113 -0.322 -7.427 1.00 3.57 H new ATOM 0 HH11 ARG A 70 -9.785 2.679 -9.171 1.00 4.58 H new ATOM 0 HH12 ARG A 70 -11.243 3.027 -8.237 1.00 4.58 H new ATOM 0 HH21 ARG A 70 -10.956 0.197 -6.166 1.00 6.25 H new ATOM 0 HH22 ARG A 70 -11.898 1.640 -6.558 1.00 6.25 H new ATOM 1144 N LEU A 71 -2.506 1.214 -7.991 1.00 0.45 N ATOM 1145 CA LEU A 71 -1.246 1.757 -7.556 1.00 0.42 C ATOM 1146 C LEU A 71 -0.156 1.127 -8.418 1.00 0.38 C ATOM 1147 O LEU A 71 -0.334 0.024 -8.931 1.00 0.58 O ATOM 1148 CB LEU A 71 -0.970 1.463 -6.070 1.00 0.48 C ATOM 1149 CG LEU A 71 -2.099 1.462 -5.022 1.00 0.68 C ATOM 1150 CD1 LEU A 71 -2.776 2.814 -4.825 1.00 2.10 C ATOM 1151 CD2 LEU A 71 -3.169 0.405 -5.275 1.00 2.42 C ATOM 0 H LEU A 71 -2.517 0.195 -8.032 1.00 0.45 H new ATOM 0 HA LEU A 71 -1.266 2.841 -7.664 1.00 0.42 H new ATOM 0 HB2 LEU A 71 -0.496 0.482 -6.025 1.00 0.48 H new ATOM 0 HB3 LEU A 71 -0.230 2.190 -5.736 1.00 0.48 H new ATOM 0 HG LEU A 71 -1.570 1.213 -4.102 1.00 0.68 H new ATOM 0 HD11 LEU A 71 -3.558 2.723 -4.071 1.00 2.10 H new ATOM 0 HD12 LEU A 71 -2.038 3.546 -4.497 1.00 2.10 H new ATOM 0 HD13 LEU A 71 -3.217 3.141 -5.767 1.00 2.10 H new ATOM 0 HD21 LEU A 71 -3.930 0.465 -4.497 1.00 2.42 H new ATOM 0 HD22 LEU A 71 -3.629 0.579 -6.248 1.00 2.42 H new ATOM 0 HD23 LEU A 71 -2.713 -0.585 -5.261 1.00 2.42 H new ATOM 1163 N GLN A 72 0.988 1.795 -8.529 1.00 0.32 N ATOM 1164 CA GLN A 72 2.151 1.356 -9.276 1.00 0.36 C ATOM 1165 C GLN A 72 3.320 1.324 -8.309 1.00 0.29 C ATOM 1166 O GLN A 72 3.592 2.311 -7.631 1.00 0.28 O ATOM 1167 CB GLN A 72 2.422 2.341 -10.419 1.00 0.49 C ATOM 1168 CG GLN A 72 1.707 1.903 -11.696 1.00 1.18 C ATOM 1169 CD GLN A 72 1.745 3.019 -12.733 1.00 2.33 C ATOM 1170 OE1 GLN A 72 2.679 3.128 -13.515 1.00 3.18 O ATOM 1171 NE2 GLN A 72 0.743 3.888 -12.736 1.00 3.56 N ATOM 0 H GLN A 72 1.131 2.699 -8.078 1.00 0.32 H new ATOM 0 HA GLN A 72 1.996 0.369 -9.711 1.00 0.36 H new ATOM 0 HB2 GLN A 72 2.086 3.338 -10.133 1.00 0.49 H new ATOM 0 HB3 GLN A 72 3.495 2.406 -10.602 1.00 0.49 H new ATOM 0 HG2 GLN A 72 2.182 1.008 -12.098 1.00 1.18 H new ATOM 0 HG3 GLN A 72 0.673 1.642 -11.471 1.00 1.18 H new ATOM 0 HE21 GLN A 72 -0.027 3.780 -12.076 1.00 3.56 H new ATOM 0 HE22 GLN A 72 0.743 4.664 -13.398 1.00 3.56 H new ATOM 1180 N VAL A 73 4.011 0.195 -8.233 1.00 0.39 N ATOM 1181 CA VAL A 73 5.149 0.021 -7.355 1.00 0.33 C ATOM 1182 C VAL A 73 6.395 0.423 -8.139 1.00 0.41 C ATOM 1183 O VAL A 73 6.490 0.162 -9.336 1.00 0.60 O ATOM 1184 CB VAL A 73 5.176 -1.435 -6.861 1.00 0.58 C ATOM 1185 CG1 VAL A 73 5.543 -2.427 -7.968 1.00 1.08 C ATOM 1186 CG2 VAL A 73 6.135 -1.622 -5.686 1.00 1.00 C ATOM 0 H VAL A 73 3.791 -0.632 -8.787 1.00 0.39 H new ATOM 0 HA VAL A 73 5.095 0.648 -6.465 1.00 0.33 H new ATOM 0 HB VAL A 73 4.159 -1.646 -6.531 1.00 0.58 H new ATOM 0 HG11 VAL A 73 5.547 -3.439 -7.563 1.00 1.08 H new ATOM 0 HG12 VAL A 73 4.811 -2.361 -8.773 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.533 -2.188 -8.357 1.00 1.08 H new ATOM 0 HG21 VAL A 73 6.123 -2.665 -5.369 1.00 1.00 H new ATOM 0 HG22 VAL A 73 7.144 -1.348 -5.993 1.00 1.00 H new ATOM 0 HG23 VAL A 73 5.823 -0.987 -4.857 1.00 1.00 H new ATOM 1196 N SER A 74 7.334 1.089 -7.474 1.00 0.40 N ATOM 1197 CA SER A 74 8.651 1.341 -8.032 1.00 0.61 C ATOM 1198 C SER A 74 9.390 0.019 -8.194 1.00 0.79 C ATOM 1199 O SER A 74 9.091 -0.952 -7.502 1.00 0.94 O ATOM 1200 CB SER A 74 9.423 2.307 -7.128 1.00 1.00 C ATOM 1201 OG SER A 74 10.633 2.685 -7.749 1.00 1.46 O ATOM 0 H SER A 74 7.200 1.467 -6.536 1.00 0.40 H new ATOM 0 HA SER A 74 8.558 1.806 -9.014 1.00 0.61 H new ATOM 0 HB2 SER A 74 8.818 3.190 -6.924 1.00 1.00 H new ATOM 0 HB3 SER A 74 9.629 1.834 -6.168 1.00 1.00 H new ATOM 0 HG SER A 74 11.120 3.304 -7.166 1.00 1.46 H new ATOM 1207 N GLU A 75 10.402 -0.001 -9.058 1.00 1.06 N ATOM 1208 CA GLU A 75 11.254 -1.160 -9.265 1.00 1.56 C ATOM 1209 C GLU A 75 11.959 -1.553 -7.961 1.00 1.23 C ATOM 1210 O GLU A 75 12.330 -2.710 -7.787 1.00 1.46 O ATOM 1211 CB GLU A 75 12.268 -0.897 -10.392 1.00 2.19 C ATOM 1212 CG GLU A 75 11.609 -0.748 -11.775 1.00 2.91 C ATOM 1213 CD GLU A 75 11.385 0.710 -12.199 1.00 3.40 C ATOM 1214 OE1 GLU A 75 10.718 1.445 -11.436 1.00 3.95 O ATOM 1215 OE2 GLU A 75 11.876 1.069 -13.292 1.00 4.02 O ATOM 0 H GLU A 75 10.653 0.799 -9.639 1.00 1.06 H new ATOM 0 HA GLU A 75 10.628 -1.998 -9.571 1.00 1.56 H new ATOM 0 HB2 GLU A 75 12.829 0.009 -10.164 1.00 2.19 H new ATOM 0 HB3 GLU A 75 12.986 -1.716 -10.425 1.00 2.19 H new ATOM 0 HG2 GLU A 75 12.233 -1.242 -12.520 1.00 2.91 H new ATOM 0 HG3 GLU A 75 10.650 -1.266 -11.768 1.00 2.91 H new ATOM 1222 N ASP A 76 12.119 -0.612 -7.023 1.00 0.88 N ATOM 1223 CA ASP A 76 12.699 -0.895 -5.714 1.00 0.72 C ATOM 1224 C ASP A 76 11.810 -1.831 -4.902 1.00 0.62 C ATOM 1225 O ASP A 76 12.305 -2.612 -4.087 1.00 0.71 O ATOM 1226 CB ASP A 76 12.876 0.408 -4.923 1.00 0.88 C ATOM 1227 CG ASP A 76 14.232 1.039 -5.198 1.00 1.87 C ATOM 1228 OD1 ASP A 76 15.221 0.468 -4.687 1.00 2.07 O ATOM 1229 OD2 ASP A 76 14.245 2.076 -5.896 1.00 3.35 O ATOM 0 H ASP A 76 11.849 0.363 -7.154 1.00 0.88 H new ATOM 0 HA ASP A 76 13.664 -1.374 -5.882 1.00 0.72 H new ATOM 0 HB2 ASP A 76 12.085 1.109 -5.190 1.00 0.88 H new ATOM 0 HB3 ASP A 76 12.776 0.206 -3.857 1.00 0.88 H new ATOM 1234 N GLY A 77 10.488 -1.663 -5.023 1.00 0.55 N ATOM 1235 CA GLY A 77 9.541 -2.326 -4.131 1.00 0.51 C ATOM 1236 C GLY A 77 9.519 -1.711 -2.731 1.00 0.48 C ATOM 1237 O GLY A 77 8.844 -2.234 -1.849 1.00 0.82 O ATOM 0 H GLY A 77 10.053 -1.072 -5.732 1.00 0.55 H new ATOM 0 HA2 GLY A 77 8.542 -2.271 -4.563 1.00 0.51 H new ATOM 0 HA3 GLY A 77 9.798 -3.383 -4.055 1.00 0.51 H new ATOM 1241 N LYS A 78 10.205 -0.580 -2.519 1.00 0.41 N ATOM 1242 CA LYS A 78 10.090 0.191 -1.283 1.00 0.35 C ATOM 1243 C LYS A 78 9.231 1.427 -1.508 1.00 0.28 C ATOM 1244 O LYS A 78 9.064 2.207 -0.582 1.00 0.29 O ATOM 1245 CB LYS A 78 11.461 0.597 -0.710 1.00 0.48 C ATOM 1246 CG LYS A 78 12.228 -0.568 -0.074 1.00 0.77 C ATOM 1247 CD LYS A 78 13.087 -1.290 -1.106 1.00 1.62 C ATOM 1248 CE LYS A 78 13.761 -2.513 -0.492 1.00 2.30 C ATOM 1249 NZ LYS A 78 14.550 -3.226 -1.518 1.00 3.63 N ATOM 0 H LYS A 78 10.851 -0.179 -3.199 1.00 0.41 H new ATOM 0 HA LYS A 78 9.612 -0.457 -0.548 1.00 0.35 H new ATOM 0 HB2 LYS A 78 12.066 1.027 -1.508 1.00 0.48 H new ATOM 0 HB3 LYS A 78 11.317 1.377 0.037 1.00 0.48 H new ATOM 0 HG2 LYS A 78 12.860 -0.194 0.732 1.00 0.77 H new ATOM 0 HG3 LYS A 78 11.524 -1.270 0.372 1.00 0.77 H new ATOM 0 HD2 LYS A 78 12.469 -1.596 -1.950 1.00 1.62 H new ATOM 0 HD3 LYS A 78 13.844 -0.609 -1.495 1.00 1.62 H new ATOM 0 HE2 LYS A 78 14.409 -2.207 0.329 1.00 2.30 H new ATOM 0 HE3 LYS A 78 13.008 -3.180 -0.072 1.00 2.30 H new ATOM 0 HZ1 LYS A 78 15.005 -4.057 -1.090 1.00 3.63 H new ATOM 0 HZ2 LYS A 78 13.922 -3.533 -2.288 1.00 3.63 H new ATOM 0 HZ3 LYS A 78 15.279 -2.590 -1.899 1.00 3.63 H new ATOM 1263 N MET A 79 8.663 1.625 -2.697 1.00 0.28 N ATOM 1264 CA MET A 79 7.707 2.700 -2.877 1.00 0.25 C ATOM 1265 C MET A 79 6.600 2.237 -3.798 1.00 0.30 C ATOM 1266 O MET A 79 6.798 1.328 -4.601 1.00 0.43 O ATOM 1267 CB MET A 79 8.392 3.960 -3.430 1.00 0.34 C ATOM 1268 CG MET A 79 9.204 4.703 -2.365 1.00 1.45 C ATOM 1269 SD MET A 79 10.916 4.159 -2.114 1.00 2.12 S ATOM 1270 CE MET A 79 11.127 4.736 -0.406 1.00 3.09 C ATOM 0 H MET A 79 8.847 1.065 -3.529 1.00 0.28 H new ATOM 0 HA MET A 79 7.279 2.961 -1.909 1.00 0.25 H new ATOM 0 HB2 MET A 79 9.049 3.680 -4.253 1.00 0.34 H new ATOM 0 HB3 MET A 79 7.636 4.630 -3.839 1.00 0.34 H new ATOM 0 HG2 MET A 79 9.219 5.761 -2.626 1.00 1.45 H new ATOM 0 HG3 MET A 79 8.677 4.616 -1.415 1.00 1.45 H new ATOM 0 HE1 MET A 79 12.132 4.492 -0.061 1.00 3.09 H new ATOM 0 HE2 MET A 79 10.981 5.815 -0.366 1.00 3.09 H new ATOM 0 HE3 MET A 79 10.395 4.247 0.236 1.00 3.09 H new ATOM 1280 N VAL A 80 5.439 2.874 -3.683 1.00 0.30 N ATOM 1281 CA VAL A 80 4.281 2.639 -4.517 1.00 0.30 C ATOM 1282 C VAL A 80 3.504 3.951 -4.568 1.00 0.36 C ATOM 1283 O VAL A 80 3.664 4.795 -3.687 1.00 0.38 O ATOM 1284 CB VAL A 80 3.479 1.441 -3.967 1.00 0.45 C ATOM 1285 CG1 VAL A 80 3.229 1.564 -2.463 1.00 1.23 C ATOM 1286 CG2 VAL A 80 2.119 1.262 -4.642 1.00 1.34 C ATOM 0 H VAL A 80 5.280 3.594 -2.978 1.00 0.30 H new ATOM 0 HA VAL A 80 4.540 2.360 -5.538 1.00 0.30 H new ATOM 0 HB VAL A 80 4.104 0.575 -4.184 1.00 0.45 H new ATOM 0 HG11 VAL A 80 2.661 0.700 -2.117 1.00 1.23 H new ATOM 0 HG12 VAL A 80 4.183 1.606 -1.938 1.00 1.23 H new ATOM 0 HG13 VAL A 80 2.664 2.474 -2.261 1.00 1.23 H new ATOM 0 HG21 VAL A 80 1.608 0.403 -4.208 1.00 1.34 H new ATOM 0 HG22 VAL A 80 1.516 2.157 -4.490 1.00 1.34 H new ATOM 0 HG23 VAL A 80 2.262 1.098 -5.710 1.00 1.34 H new ATOM 1296 N ARG A 81 2.690 4.143 -5.606 1.00 0.49 N ATOM 1297 CA ARG A 81 2.010 5.408 -5.852 1.00 0.47 C ATOM 1298 C ARG A 81 0.612 5.136 -6.382 1.00 0.41 C ATOM 1299 O ARG A 81 0.457 4.361 -7.320 1.00 0.38 O ATOM 1300 CB ARG A 81 2.838 6.241 -6.846 1.00 0.51 C ATOM 1301 CG ARG A 81 2.923 5.619 -8.249 1.00 1.29 C ATOM 1302 CD ARG A 81 4.296 5.840 -8.886 1.00 1.62 C ATOM 1303 NE ARG A 81 4.576 7.263 -9.126 1.00 2.55 N ATOM 1304 CZ ARG A 81 5.762 7.736 -9.529 1.00 3.31 C ATOM 1305 NH1 ARG A 81 6.785 6.901 -9.718 1.00 3.51 N ATOM 1306 NH2 ARG A 81 5.921 9.043 -9.743 1.00 4.53 N ATOM 0 H ARG A 81 2.485 3.423 -6.299 1.00 0.49 H new ATOM 0 HA ARG A 81 1.915 5.975 -4.926 1.00 0.47 H new ATOM 0 HB2 ARG A 81 2.401 7.237 -6.925 1.00 0.51 H new ATOM 0 HB3 ARG A 81 3.846 6.366 -6.451 1.00 0.51 H new ATOM 0 HG2 ARG A 81 2.720 4.550 -8.186 1.00 1.29 H new ATOM 0 HG3 ARG A 81 2.153 6.053 -8.886 1.00 1.29 H new ATOM 0 HD2 ARG A 81 5.067 5.425 -8.237 1.00 1.62 H new ATOM 0 HD3 ARG A 81 4.348 5.297 -9.830 1.00 1.62 H new ATOM 0 HE ARG A 81 3.820 7.931 -8.976 1.00 2.55 H new ATOM 0 HH11 ARG A 81 6.664 5.901 -9.556 1.00 3.51 H new ATOM 0 HH12 ARG A 81 7.688 7.262 -10.025 1.00 3.51 H new ATOM 0 HH21 ARG A 81 5.139 9.682 -9.600 1.00 4.53 H new ATOM 0 HH22 ARG A 81 6.825 9.403 -10.050 1.00 4.53 H new ATOM 1320 N ARG A 82 -0.412 5.734 -5.782 1.00 0.67 N ATOM 1321 CA ARG A 82 -1.765 5.690 -6.323 1.00 0.60 C ATOM 1322 C ARG A 82 -1.859 6.456 -7.643 1.00 0.50 C ATOM 1323 O ARG A 82 -0.873 6.995 -8.142 1.00 0.67 O ATOM 1324 CB ARG A 82 -2.734 6.253 -5.271 1.00 0.82 C ATOM 1325 CG ARG A 82 -2.517 7.761 -5.104 1.00 1.02 C ATOM 1326 CD ARG A 82 -3.096 8.276 -3.797 1.00 1.51 C ATOM 1327 NE ARG A 82 -4.564 8.211 -3.731 1.00 2.22 N ATOM 1328 CZ ARG A 82 -5.285 9.044 -2.975 1.00 2.93 C ATOM 1329 NH1 ARG A 82 -4.673 9.955 -2.223 1.00 3.64 N ATOM 1330 NH2 ARG A 82 -6.616 8.965 -2.956 1.00 4.01 N ATOM 0 H ARG A 82 -0.328 6.260 -4.912 1.00 0.67 H new ATOM 0 HA ARG A 82 -2.037 4.658 -6.544 1.00 0.60 H new ATOM 0 HB2 ARG A 82 -3.763 6.058 -5.573 1.00 0.82 H new ATOM 0 HB3 ARG A 82 -2.580 5.748 -4.317 1.00 0.82 H new ATOM 0 HG2 ARG A 82 -1.450 7.980 -5.140 1.00 1.02 H new ATOM 0 HG3 ARG A 82 -2.979 8.289 -5.938 1.00 1.02 H new ATOM 0 HD2 ARG A 82 -2.679 7.698 -2.973 1.00 1.51 H new ATOM 0 HD3 ARG A 82 -2.781 9.309 -3.653 1.00 1.51 H new ATOM 0 HE ARG A 82 -5.050 7.504 -4.283 1.00 2.22 H new ATOM 0 HH11 ARG A 82 -3.655 10.017 -2.224 1.00 3.64 H new ATOM 0 HH12 ARG A 82 -5.222 10.592 -1.645 1.00 3.64 H new ATOM 0 HH21 ARG A 82 -7.093 8.264 -3.522 1.00 4.01 H new ATOM 0 HH22 ARG A 82 -7.157 9.606 -2.375 1.00 4.01 H new ATOM 1344 N LEU A 83 -3.079 6.536 -8.168 1.00 0.58 N ATOM 1345 CA LEU A 83 -3.433 7.312 -9.338 1.00 0.62 C ATOM 1346 C LEU A 83 -3.850 8.718 -8.909 1.00 0.81 C ATOM 1347 O LEU A 83 -4.327 8.907 -7.794 1.00 1.25 O ATOM 1348 CB LEU A 83 -4.579 6.626 -10.101 1.00 1.01 C ATOM 1349 CG LEU A 83 -5.899 6.469 -9.310 1.00 2.65 C ATOM 1350 CD1 LEU A 83 -7.073 6.505 -10.285 1.00 3.12 C ATOM 1351 CD2 LEU A 83 -6.002 5.138 -8.560 1.00 4.15 C ATOM 0 H LEU A 83 -3.875 6.039 -7.769 1.00 0.58 H new ATOM 0 HA LEU A 83 -2.570 7.381 -10.000 1.00 0.62 H new ATOM 0 HB2 LEU A 83 -4.783 7.197 -11.007 1.00 1.01 H new ATOM 0 HB3 LEU A 83 -4.244 5.638 -10.416 1.00 1.01 H new ATOM 0 HG LEU A 83 -5.918 7.284 -8.587 1.00 2.65 H new ATOM 0 HD11 LEU A 83 -8.007 6.395 -9.734 1.00 3.12 H new ATOM 0 HD12 LEU A 83 -7.075 7.457 -10.817 1.00 3.12 H new ATOM 0 HD13 LEU A 83 -6.976 5.689 -11.002 1.00 3.12 H new ATOM 0 HD21 LEU A 83 -6.952 5.093 -8.027 1.00 4.15 H new ATOM 0 HD22 LEU A 83 -5.946 4.314 -9.272 1.00 4.15 H new ATOM 0 HD23 LEU A 83 -5.181 5.058 -7.847 1.00 4.15 H new ATOM 1363 N ASP A 84 -3.677 9.695 -9.799 1.00 1.04 N ATOM 1364 CA ASP A 84 -4.014 11.092 -9.533 1.00 1.52 C ATOM 1365 C ASP A 84 -5.518 11.291 -9.302 1.00 1.68 C ATOM 1366 O ASP A 84 -5.899 11.797 -8.248 1.00 2.02 O ATOM 1367 CB ASP A 84 -3.485 12.001 -10.656 1.00 1.90 C ATOM 1368 CG ASP A 84 -2.188 12.698 -10.247 1.00 2.17 C ATOM 1369 OD1 ASP A 84 -1.274 11.976 -9.794 1.00 2.72 O ATOM 1370 OD2 ASP A 84 -2.130 13.936 -10.401 1.00 2.73 O ATOM 0 H ASP A 84 -3.296 9.537 -10.732 1.00 1.04 H new ATOM 0 HA ASP A 84 -3.520 11.379 -8.605 1.00 1.52 H new ATOM 0 HB2 ASP A 84 -3.313 11.409 -11.555 1.00 1.90 H new ATOM 0 HB3 ASP A 84 -4.238 12.748 -10.906 1.00 1.90 H new ATOM 1375 N PRO A 85 -6.396 10.958 -10.264 1.00 1.84 N ATOM 1376 CA PRO A 85 -7.826 11.133 -10.071 1.00 2.21 C ATOM 1377 C PRO A 85 -8.360 10.125 -9.051 1.00 1.83 C ATOM 1378 O PRO A 85 -7.710 9.129 -8.738 1.00 1.53 O ATOM 1379 CB PRO A 85 -8.460 10.962 -11.454 1.00 2.78 C ATOM 1380 CG PRO A 85 -7.450 10.123 -12.238 1.00 2.74 C ATOM 1381 CD PRO A 85 -6.101 10.429 -11.585 1.00 2.14 C ATOM 0 HA PRO A 85 -8.069 12.114 -9.664 1.00 2.21 H new ATOM 0 HB2 PRO A 85 -9.426 10.461 -11.388 1.00 2.78 H new ATOM 0 HB3 PRO A 85 -8.632 11.926 -11.933 1.00 2.78 H new ATOM 0 HG2 PRO A 85 -7.687 9.061 -12.179 1.00 2.74 H new ATOM 0 HG3 PRO A 85 -7.448 10.391 -13.295 1.00 2.74 H new ATOM 0 HD2 PRO A 85 -5.490 9.529 -11.516 1.00 2.14 H new ATOM 0 HD3 PRO A 85 -5.538 11.152 -12.176 1.00 2.14 H new ATOM 1389 N LEU A 86 -9.558 10.376 -8.514 1.00 2.12 N ATOM 1390 CA LEU A 86 -10.109 9.512 -7.481 1.00 1.98 C ATOM 1391 C LEU A 86 -10.364 8.101 -8.023 1.00 1.98 C ATOM 1392 O LEU A 86 -10.719 7.931 -9.188 1.00 2.26 O ATOM 1393 CB LEU A 86 -11.376 10.115 -6.852 1.00 2.43 C ATOM 1394 CG LEU A 86 -12.652 10.087 -7.719 1.00 3.14 C ATOM 1395 CD1 LEU A 86 -13.843 10.450 -6.829 1.00 3.87 C ATOM 1396 CD2 LEU A 86 -12.586 11.081 -8.882 1.00 3.88 C ATOM 0 H LEU A 86 -10.154 11.161 -8.777 1.00 2.12 H new ATOM 0 HA LEU A 86 -9.367 9.433 -6.687 1.00 1.98 H new ATOM 0 HB2 LEU A 86 -11.582 9.584 -5.923 1.00 2.43 H new ATOM 0 HB3 LEU A 86 -11.166 11.151 -6.587 1.00 2.43 H new ATOM 0 HG LEU A 86 -12.754 9.088 -8.143 1.00 3.14 H new ATOM 0 HD11 LEU A 86 -14.758 10.437 -7.422 1.00 3.87 H new ATOM 0 HD12 LEU A 86 -13.925 9.726 -6.018 1.00 3.87 H new ATOM 0 HD13 LEU A 86 -13.695 11.446 -6.412 1.00 3.87 H new ATOM 0 HD21 LEU A 86 -13.507 11.024 -9.462 1.00 3.88 H new ATOM 0 HD22 LEU A 86 -12.466 12.091 -8.491 1.00 3.88 H new ATOM 0 HD23 LEU A 86 -11.738 10.837 -9.522 1.00 3.88 H new ATOM 1408 N PRO A 87 -10.197 7.071 -7.188 1.00 1.88 N ATOM 1409 CA PRO A 87 -10.421 5.694 -7.584 1.00 2.12 C ATOM 1410 C PRO A 87 -11.914 5.390 -7.727 1.00 2.37 C ATOM 1411 O PRO A 87 -12.643 5.371 -6.740 1.00 2.56 O ATOM 1412 CB PRO A 87 -9.784 4.848 -6.478 1.00 2.19 C ATOM 1413 CG PRO A 87 -9.763 5.763 -5.259 1.00 2.09 C ATOM 1414 CD PRO A 87 -9.655 7.163 -5.846 1.00 1.87 C ATOM 0 HA PRO A 87 -9.983 5.480 -8.559 1.00 2.12 H new ATOM 0 HB2 PRO A 87 -10.363 3.945 -6.286 1.00 2.19 H new ATOM 0 HB3 PRO A 87 -8.778 4.529 -6.752 1.00 2.19 H new ATOM 0 HG2 PRO A 87 -10.667 5.650 -4.661 1.00 2.09 H new ATOM 0 HG3 PRO A 87 -8.919 5.538 -4.607 1.00 2.09 H new ATOM 0 HD2 PRO A 87 -10.213 7.882 -5.247 1.00 1.87 H new ATOM 0 HD3 PRO A 87 -8.619 7.500 -5.865 1.00 1.87 H new ATOM 1422 N GLU A 88 -12.352 5.025 -8.934 1.00 2.77 N ATOM 1423 CA GLU A 88 -13.749 4.715 -9.222 1.00 3.08 C ATOM 1424 C GLU A 88 -13.827 3.468 -10.110 1.00 3.48 C ATOM 1425 O GLU A 88 -13.907 3.563 -11.327 1.00 3.70 O ATOM 1426 CB GLU A 88 -14.446 5.945 -9.832 1.00 3.23 C ATOM 1427 CG GLU A 88 -13.684 6.627 -10.986 1.00 4.71 C ATOM 1428 CD GLU A 88 -14.378 7.911 -11.450 1.00 5.28 C ATOM 1429 OE1 GLU A 88 -15.629 7.931 -11.444 1.00 5.09 O ATOM 1430 OE2 GLU A 88 -13.648 8.862 -11.811 1.00 6.51 O ATOM 0 H GLU A 88 -11.739 4.936 -9.745 1.00 2.77 H new ATOM 0 HA GLU A 88 -14.285 4.481 -8.302 1.00 3.08 H new ATOM 0 HB2 GLU A 88 -15.428 5.643 -10.195 1.00 3.23 H new ATOM 0 HB3 GLU A 88 -14.610 6.679 -9.043 1.00 3.23 H new ATOM 0 HG2 GLU A 88 -12.669 6.859 -10.663 1.00 4.71 H new ATOM 0 HG3 GLU A 88 -13.601 5.936 -11.825 1.00 4.71 H new ATOM 1437 N ASN A 89 -13.756 2.278 -9.497 1.00 4.04 N ATOM 1438 CA ASN A 89 -13.773 0.983 -10.186 1.00 4.85 C ATOM 1439 C ASN A 89 -12.824 0.944 -11.374 1.00 5.17 C ATOM 1440 O ASN A 89 -13.164 0.440 -12.443 1.00 5.64 O ATOM 1441 CB ASN A 89 -15.182 0.593 -10.632 1.00 5.07 C ATOM 1442 CG ASN A 89 -16.095 0.283 -9.457 1.00 5.31 C ATOM 1443 OD1 ASN A 89 -15.731 0.478 -8.302 1.00 5.52 O ATOM 1444 ND2 ASN A 89 -17.285 -0.236 -9.727 1.00 5.77 N ATOM 0 H ASN A 89 -13.683 2.189 -8.483 1.00 4.04 H new ATOM 0 HA ASN A 89 -13.426 0.253 -9.455 1.00 4.85 H new ATOM 0 HB2 ASN A 89 -15.612 1.404 -11.219 1.00 5.07 H new ATOM 0 HB3 ASN A 89 -15.126 -0.278 -11.285 1.00 5.07 H new ATOM 0 HD21 ASN A 89 -17.919 -0.482 -8.966 1.00 5.77 H new ATOM 0 HD22 ASN A 89 -17.567 -0.389 -10.695 1.00 5.77 H new ATOM 1451 N ILE A 90 -11.624 1.471 -11.181 1.00 5.17 N ATOM 1452 CA ILE A 90 -10.634 1.447 -12.231 1.00 5.79 C ATOM 1453 C ILE A 90 -9.950 0.086 -12.144 1.00 6.63 C ATOM 1454 O ILE A 90 -9.947 -0.526 -11.073 1.00 6.51 O ATOM 1455 CB ILE A 90 -9.680 2.650 -12.057 1.00 5.40 C ATOM 1456 CG1 ILE A 90 -10.491 3.937 -12.316 1.00 5.17 C ATOM 1457 CG2 ILE A 90 -8.467 2.594 -12.997 1.00 6.38 C ATOM 1458 CD1 ILE A 90 -9.785 5.210 -11.852 1.00 5.48 C ATOM 0 H ILE A 90 -11.320 1.915 -10.314 1.00 5.17 H new ATOM 0 HA ILE A 90 -11.057 1.555 -13.230 1.00 5.79 H new ATOM 0 HB ILE A 90 -9.279 2.628 -11.044 1.00 5.40 H new ATOM 0 HG12 ILE A 90 -10.700 4.016 -13.383 1.00 5.17 H new ATOM 0 HG13 ILE A 90 -11.452 3.859 -11.808 1.00 5.17 H new ATOM 0 HG21 ILE A 90 -7.835 3.466 -12.827 1.00 6.38 H new ATOM 0 HG22 ILE A 90 -7.895 1.687 -12.800 1.00 6.38 H new ATOM 0 HG23 ILE A 90 -8.809 2.590 -14.032 1.00 6.38 H new ATOM 0 HD11 ILE A 90 -10.414 6.074 -12.066 1.00 5.48 H new ATOM 0 HD12 ILE A 90 -9.600 5.153 -10.779 1.00 5.48 H new ATOM 0 HD13 ILE A 90 -8.836 5.313 -12.379 1.00 5.48 H new ATOM 1470 N ASP A 91 -9.388 -0.387 -13.252 1.00 7.63 N ATOM 1471 CA ASP A 91 -8.678 -1.652 -13.330 1.00 8.50 C ATOM 1472 C ASP A 91 -7.604 -1.514 -14.405 1.00 9.43 C ATOM 1473 O ASP A 91 -6.658 -2.325 -14.395 1.00 9.40 O ATOM 1474 CB ASP A 91 -9.660 -2.782 -13.668 1.00 9.32 C ATOM 1475 CG ASP A 91 -9.155 -4.138 -13.168 1.00 9.50 C ATOM 1476 OD1 ASP A 91 -8.690 -4.194 -12.001 1.00 9.36 O ATOM 1477 OD2 ASP A 91 -9.327 -5.125 -13.920 1.00 10.13 O ATOM 1478 OXT ASP A 91 -7.745 -0.558 -15.205 1.00 10.52 O ATOM 0 H ASP A 91 -9.416 0.114 -14.140 1.00 7.63 H new ATOM 0 HA ASP A 91 -8.213 -1.898 -12.376 1.00 8.50 H new ATOM 0 HB2 ASP A 91 -10.630 -2.567 -13.220 1.00 9.32 H new ATOM 0 HB3 ASP A 91 -9.809 -2.824 -14.747 1.00 9.32 H new TER 1483 ASP A 91