USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1037 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: B 23 TYR OH : rot -15:sc= -2.73! USER MOD Set 1.2: B 27 GLN :FLIP amide:sc= -0.137 F(o=-3.9,f=-2.9) USER MOD Set 1.3: B 64 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 23 TYR OH : rot -15:sc= -2.75! USER MOD Set 2.2: A 27 GLN :FLIP amide:sc= -0.188 F(o=-3.9,f=-2.9) USER MOD Set 2.3: A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -4.03! C(o=-4!,f=-4.6!) USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= 1.23 (180deg=-0.154) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.6!) USER MOD Single : A 32 GLN : amide:sc= -1.21 X(o=-1.2,f=-1) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -61:sc= 0.794 USER MOD Single : A 43 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.1) USER MOD Single : A 45 SER OG : rot 140:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 52 CYS SG : rot 67:sc= 0.639 USER MOD Single : A 55 THR OG1 : rot 79:sc= 0.783 USER MOD Single : A 60 THR OG1 : rot 178:sc= 1.09 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 71 THR OG1 : rot -17:sc= 0.836 USER MOD Single : A 81 THR OG1 : rot 132:sc= 0.935 USER MOD Single : A 83 LYS NZ :NH3+ -150:sc= -0.742 (180deg=-1.97!) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -3.91! C(o=-3.9!,f=-4.7!) USER MOD Single : B 18 LYS NZ :NH3+ -121:sc= 1.23 (180deg=-0.107) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 HIS : no HE2:sc= 1.25 K(o=1.2,f=-4.5!) USER MOD Single : B 32 GLN : amide:sc= -1.25 X(o=-1.2,f=-0.98) USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot -63:sc= 0.775 USER MOD Single : B 43 GLN : amide:sc= -1.08 X(o=-1.1,f=-1) USER MOD Single : B 45 SER OG : rot -103:sc=-0.00357 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 52 CYS SG : rot 67:sc= 0.623 USER MOD Single : B 55 THR OG1 : rot 79:sc= 0.75 USER MOD Single : B 60 THR OG1 : rot 179:sc= 1.11 USER MOD Single : B 70 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 71 THR OG1 : rot -11:sc= 0.834 USER MOD Single : B 81 THR OG1 : rot 134:sc= 1.1 USER MOD Single : B 83 LYS NZ :NH3+ -149:sc= -0.771 (180deg=-2.08!) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 16 14.079 5.696 -3.510 1.00 1.26 N ATOM 21 CA ASP A 16 13.112 4.620 -3.371 1.00 1.13 C ATOM 22 C ASP A 16 12.116 4.928 -2.265 1.00 0.92 C ATOM 23 O ASP A 16 12.190 4.371 -1.170 1.00 1.01 O ATOM 24 CB ASP A 16 13.810 3.287 -3.089 1.00 1.39 C ATOM 25 CG ASP A 16 14.692 2.834 -4.231 1.00 1.84 C ATOM 26 OD1 ASP A 16 14.164 2.264 -5.207 1.00 2.28 O ATOM 27 OD2 ASP A 16 15.920 3.053 -4.163 1.00 2.40 O ATOM 0 HA ASP A 16 12.573 4.536 -4.315 1.00 1.13 H new ATOM 0 HB2 ASP A 16 14.413 3.382 -2.186 1.00 1.39 H new ATOM 0 HB3 ASP A 16 13.058 2.523 -2.892 1.00 1.39 H new ATOM 32 N ASN A 17 11.176 5.814 -2.561 1.00 0.78 N ATOM 33 CA ASN A 17 10.119 6.147 -1.614 1.00 0.74 C ATOM 34 C ASN A 17 9.166 4.970 -1.482 1.00 0.61 C ATOM 35 O ASN A 17 8.431 4.853 -0.503 1.00 0.65 O ATOM 36 CB ASN A 17 9.325 7.377 -2.067 1.00 0.92 C ATOM 37 CG ASN A 17 8.443 7.092 -3.272 1.00 1.56 C ATOM 38 OD1 ASN A 17 8.853 6.420 -4.218 1.00 2.52 O ATOM 39 ND2 ASN A 17 7.213 7.572 -3.233 1.00 1.71 N ATOM 0 H ASN A 17 11.123 6.315 -3.448 1.00 0.78 H new ATOM 0 HA ASN A 17 10.588 6.370 -0.656 1.00 0.74 H new ATOM 0 HB2 ASN A 17 8.705 7.728 -1.242 1.00 0.92 H new ATOM 0 HB3 ASN A 17 10.018 8.183 -2.311 1.00 0.92 H new ATOM 0 HD21 ASN A 17 6.570 7.389 -4.003 1.00 1.71 H new ATOM 0 HD22 ASN A 17 6.907 8.125 -2.433 1.00 1.71 H new ATOM 46 N LYS A 18 9.195 4.101 -2.484 1.00 0.59 N ATOM 47 CA LYS A 18 8.316 2.948 -2.542 1.00 0.62 C ATOM 48 C LYS A 18 8.587 1.990 -1.385 1.00 0.53 C ATOM 49 O LYS A 18 7.689 1.277 -0.944 1.00 0.48 O ATOM 50 CB LYS A 18 8.473 2.243 -3.892 1.00 0.82 C ATOM 51 CG LYS A 18 8.082 3.127 -5.071 1.00 1.09 C ATOM 52 CD LYS A 18 8.248 2.413 -6.404 1.00 1.04 C ATOM 53 CE LYS A 18 7.807 3.292 -7.568 1.00 1.44 C ATOM 54 NZ LYS A 18 8.688 4.479 -7.747 1.00 1.90 N ATOM 0 H LYS A 18 9.830 4.179 -3.278 1.00 0.59 H new ATOM 0 HA LYS A 18 7.285 3.289 -2.445 1.00 0.62 H new ATOM 0 HB2 LYS A 18 9.508 1.924 -4.011 1.00 0.82 H new ATOM 0 HB3 LYS A 18 7.859 1.343 -3.900 1.00 0.82 H new ATOM 0 HG2 LYS A 18 7.045 3.444 -4.957 1.00 1.09 H new ATOM 0 HG3 LYS A 18 8.694 4.029 -5.065 1.00 1.09 H new ATOM 0 HD2 LYS A 18 9.291 2.128 -6.537 1.00 1.04 H new ATOM 0 HD3 LYS A 18 7.664 1.493 -6.400 1.00 1.04 H new ATOM 0 HE2 LYS A 18 7.805 2.702 -8.485 1.00 1.44 H new ATOM 0 HE3 LYS A 18 6.783 3.625 -7.401 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 8.114 5.346 -7.712 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 9.398 4.502 -6.987 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 9.168 4.419 -8.667 1.00 1.90 H new ATOM 68 N LYS A 19 9.818 1.993 -0.879 1.00 0.60 N ATOM 69 CA LYS A 19 10.146 1.194 0.296 1.00 0.61 C ATOM 70 C LYS A 19 9.399 1.738 1.497 1.00 0.53 C ATOM 71 O LYS A 19 8.737 1.004 2.230 1.00 0.55 O ATOM 72 CB LYS A 19 11.641 1.231 0.605 1.00 0.77 C ATOM 73 CG LYS A 19 12.536 0.967 -0.585 1.00 0.82 C ATOM 74 CD LYS A 19 13.787 0.204 -0.173 1.00 1.19 C ATOM 75 CE LYS A 19 14.499 0.879 0.990 1.00 1.06 C ATOM 76 NZ LYS A 19 15.632 0.063 1.495 1.00 1.49 N ATOM 0 H LYS A 19 10.595 2.533 -1.259 1.00 0.60 H new ATOM 0 HA LYS A 19 9.857 0.164 0.087 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.889 2.208 1.020 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.858 0.493 1.377 1.00 0.77 H new ATOM 0 HG2 LYS A 19 11.989 0.396 -1.335 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.819 1.913 -1.048 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.517 -0.814 0.107 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.466 0.131 -1.023 1.00 1.19 H new ATOM 0 HE2 LYS A 19 14.867 1.855 0.673 1.00 1.06 H new ATOM 0 HE3 LYS A 19 13.789 1.054 1.798 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 16.090 0.558 2.287 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 15.278 -0.859 1.821 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 16.323 -0.082 0.731 1.00 1.49 H new ATOM 90 N ARG A 20 9.508 3.047 1.664 1.00 0.54 N ATOM 91 CA ARG A 20 8.873 3.745 2.766 1.00 0.58 C ATOM 92 C ARG A 20 7.366 3.595 2.667 1.00 0.54 C ATOM 93 O ARG A 20 6.682 3.435 3.673 1.00 0.61 O ATOM 94 CB ARG A 20 9.260 5.224 2.736 1.00 0.70 C ATOM 95 CG ARG A 20 10.750 5.456 2.547 1.00 0.82 C ATOM 96 CD ARG A 20 11.070 6.938 2.448 1.00 1.01 C ATOM 97 NE ARG A 20 12.488 7.177 2.206 1.00 1.31 N ATOM 98 CZ ARG A 20 13.040 8.387 2.127 1.00 1.45 C ATOM 99 NH1 ARG A 20 12.296 9.478 2.272 1.00 1.32 N ATOM 100 NH2 ARG A 20 14.341 8.503 1.905 1.00 2.34 N ATOM 0 H ARG A 20 10.039 3.653 1.039 1.00 0.54 H new ATOM 0 HA ARG A 20 9.210 3.313 3.708 1.00 0.58 H new ATOM 0 HB2 ARG A 20 8.718 5.717 1.929 1.00 0.70 H new ATOM 0 HB3 ARG A 20 8.942 5.694 3.667 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.297 5.019 3.382 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.088 4.948 1.644 1.00 0.82 H new ATOM 0 HD2 ARG A 20 10.485 7.382 1.642 1.00 1.01 H new ATOM 0 HD3 ARG A 20 10.771 7.436 3.371 1.00 1.01 H new ATOM 0 HE ARG A 20 13.096 6.366 2.090 1.00 1.31 H new ATOM 0 HH11 ARG A 20 11.294 9.393 2.445 1.00 1.32 H new ATOM 0 HH12 ARG A 20 12.726 10.401 2.210 1.00 1.32 H new ATOM 0 HH21 ARG A 20 14.916 7.668 1.795 1.00 2.34 H new ATOM 0 HH22 ARG A 20 14.767 9.428 1.844 1.00 2.34 H new ATOM 114 N LEU A 21 6.866 3.650 1.438 1.00 0.54 N ATOM 115 CA LEU A 21 5.460 3.406 1.160 1.00 0.59 C ATOM 116 C LEU A 21 5.031 2.064 1.739 1.00 0.57 C ATOM 117 O LEU A 21 4.101 1.990 2.543 1.00 0.64 O ATOM 118 CB LEU A 21 5.219 3.429 -0.358 1.00 0.64 C ATOM 119 CG LEU A 21 3.849 2.925 -0.823 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.733 3.735 -0.185 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.745 2.994 -2.337 1.00 0.61 C ATOM 0 H LEU A 21 7.423 3.864 0.611 1.00 0.54 H new ATOM 0 HA LEU A 21 4.866 4.191 1.628 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.348 4.452 -0.712 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.989 2.826 -0.838 1.00 0.64 H new ATOM 0 HG LEU A 21 3.745 1.886 -0.510 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.769 3.360 -0.529 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.792 3.644 0.900 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.837 4.783 -0.467 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.766 2.632 -2.651 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.873 4.026 -2.664 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.522 2.373 -2.784 1.00 0.61 H new ATOM 133 N ALA A 22 5.739 1.015 1.346 1.00 0.56 N ATOM 134 CA ALA A 22 5.428 -0.332 1.787 1.00 0.63 C ATOM 135 C ALA A 22 5.545 -0.465 3.297 1.00 0.51 C ATOM 136 O ALA A 22 4.607 -0.904 3.959 1.00 0.44 O ATOM 137 CB ALA A 22 6.347 -1.330 1.109 1.00 0.83 C ATOM 0 H ALA A 22 6.539 1.075 0.717 1.00 0.56 H new ATOM 0 HA ALA A 22 4.395 -0.542 1.508 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.104 -2.337 1.448 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.216 -1.269 0.029 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.382 -1.102 1.363 1.00 0.83 H new ATOM 143 N TYR A 23 6.685 -0.069 3.842 1.00 0.62 N ATOM 144 CA TYR A 23 6.961 -0.292 5.252 1.00 0.76 C ATOM 145 C TYR A 23 6.052 0.541 6.156 1.00 0.67 C ATOM 146 O TYR A 23 5.603 0.060 7.197 1.00 0.67 O ATOM 147 CB TYR A 23 8.424 -0.016 5.584 1.00 1.11 C ATOM 148 CG TYR A 23 8.745 -0.346 7.019 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.841 -1.666 7.437 1.00 1.86 C ATOM 150 CD2 TYR A 23 8.913 0.658 7.960 1.00 1.46 C ATOM 151 CE1 TYR A 23 9.094 -1.978 8.756 1.00 2.48 C ATOM 152 CE2 TYR A 23 9.174 0.355 9.280 1.00 1.82 C ATOM 153 CZ TYR A 23 9.261 -0.964 9.673 1.00 2.23 C ATOM 154 OH TYR A 23 9.500 -1.272 10.994 1.00 2.99 O ATOM 0 H TYR A 23 7.430 0.406 3.332 1.00 0.62 H new ATOM 0 HA TYR A 23 6.752 -1.344 5.444 1.00 0.76 H new ATOM 0 HB2 TYR A 23 9.063 -0.603 4.924 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.648 1.034 5.394 1.00 1.11 H new ATOM 0 HD1 TYR A 23 8.716 -2.462 6.718 1.00 1.86 H new ATOM 0 HD2 TYR A 23 8.839 1.691 7.655 1.00 1.46 H new ATOM 0 HE1 TYR A 23 9.161 -3.010 9.068 1.00 2.48 H new ATOM 0 HE2 TYR A 23 9.310 1.147 10.002 1.00 1.82 H new ATOM 0 HH TYR A 23 9.285 -2.214 11.154 1.00 2.99 H new ATOM 164 N ALA A 24 5.776 1.781 5.771 1.00 0.72 N ATOM 165 CA ALA A 24 4.895 2.632 6.565 1.00 0.87 C ATOM 166 C ALA A 24 3.486 2.059 6.579 1.00 0.75 C ATOM 167 O ALA A 24 2.778 2.133 7.587 1.00 0.84 O ATOM 168 CB ALA A 24 4.887 4.055 6.036 1.00 1.14 C ATOM 0 H ALA A 24 6.143 2.217 4.925 1.00 0.72 H new ATOM 0 HA ALA A 24 5.274 2.658 7.587 1.00 0.87 H new ATOM 0 HB1 ALA A 24 4.222 4.666 6.646 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.896 4.464 6.077 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.536 4.058 5.004 1.00 1.14 H new ATOM 174 N ILE A 25 3.089 1.483 5.453 1.00 0.62 N ATOM 175 CA ILE A 25 1.823 0.782 5.360 1.00 0.71 C ATOM 176 C ILE A 25 1.870 -0.500 6.199 1.00 0.61 C ATOM 177 O ILE A 25 0.910 -0.829 6.890 1.00 0.66 O ATOM 178 CB ILE A 25 1.467 0.481 3.881 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.023 1.775 3.184 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.390 -0.585 3.770 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.633 1.594 1.730 1.00 0.89 C ATOM 0 H ILE A 25 3.631 1.490 4.589 1.00 0.62 H new ATOM 0 HA ILE A 25 1.036 1.421 5.760 1.00 0.71 H new ATOM 0 HB ILE A 25 2.357 0.093 3.387 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.176 2.195 3.726 1.00 0.97 H new ATOM 0 HG13 ILE A 25 1.832 2.503 3.244 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.167 -0.769 2.719 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.741 -1.507 4.233 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.512 -0.245 4.278 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.332 2.555 1.312 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.484 1.205 1.171 1.00 0.89 H new ATOM 0 HD13 ILE A 25 -0.198 0.892 1.661 1.00 0.89 H new ATOM 193 N ILE A 26 3.012 -1.188 6.160 1.00 0.53 N ATOM 194 CA ILE A 26 3.249 -2.362 7.005 1.00 0.53 C ATOM 195 C ILE A 26 2.998 -2.038 8.479 1.00 0.51 C ATOM 196 O ILE A 26 2.311 -2.778 9.176 1.00 0.53 O ATOM 197 CB ILE A 26 4.698 -2.897 6.831 1.00 0.58 C ATOM 198 CG1 ILE A 26 4.846 -3.601 5.478 1.00 0.67 C ATOM 199 CG2 ILE A 26 5.095 -3.834 7.972 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.238 -4.141 5.218 1.00 0.78 C ATOM 0 H ILE A 26 3.793 -0.951 5.548 1.00 0.53 H new ATOM 0 HA ILE A 26 2.548 -3.134 6.687 1.00 0.53 H new ATOM 0 HB ILE A 26 5.374 -2.042 6.860 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.132 -4.423 5.427 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.584 -2.901 4.684 1.00 0.67 H new ATOM 0 HG21 ILE A 26 6.114 -4.187 7.815 1.00 0.62 H new ATOM 0 HG22 ILE A 26 5.039 -3.298 8.919 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.415 -4.686 7.996 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.264 -4.625 4.242 1.00 0.78 H new ATOM 0 HD12 ILE A 26 6.956 -3.321 5.236 1.00 0.78 H new ATOM 0 HD13 ILE A 26 6.497 -4.866 5.989 1.00 0.78 H new ATOM 212 N GLN A 27 3.545 -0.917 8.937 1.00 0.54 N ATOM 213 CA GLN A 27 3.413 -0.511 10.334 1.00 0.62 C ATOM 214 C GLN A 27 1.961 -0.228 10.695 1.00 0.55 C ATOM 215 O GLN A 27 1.448 -0.739 11.694 1.00 0.57 O ATOM 216 CB GLN A 27 4.268 0.724 10.610 1.00 0.79 C ATOM 217 CG GLN A 27 5.752 0.485 10.414 1.00 0.89 C ATOM 218 CD GLN A 27 6.294 -0.590 11.333 1.00 1.10 C ATOM 219 OE1 GLN A 27 6.259 -1.832 10.878 1.00 1.58 O flip ATOM 220 NE2 GLN A 27 6.743 -0.306 12.442 1.00 1.34 N flip ATOM 0 H GLN A 27 4.085 -0.271 8.361 1.00 0.54 H new ATOM 0 HA GLN A 27 3.762 -1.336 10.954 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.948 1.533 9.953 1.00 0.79 H new ATOM 0 HB3 GLN A 27 4.093 1.057 11.633 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.937 0.200 9.378 1.00 0.89 H new ATOM 0 HG3 GLN A 27 6.293 1.415 10.590 1.00 0.89 H new ATOM 0 HE21 GLN A 27 6.752 0.665 12.755 1.00 1.34 H new ATOM 0 HE22 GLN A 27 7.107 -1.041 13.049 1.00 1.34 H new ATOM 229 N PHE A 28 1.299 0.577 9.875 1.00 0.52 N ATOM 230 CA PHE A 28 -0.086 0.946 10.127 1.00 0.51 C ATOM 231 C PHE A 28 -0.990 -0.281 10.068 1.00 0.43 C ATOM 232 O PHE A 28 -1.842 -0.475 10.932 1.00 0.42 O ATOM 233 CB PHE A 28 -0.548 2.001 9.121 1.00 0.60 C ATOM 234 CG PHE A 28 -1.984 2.419 9.289 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.391 3.109 10.419 1.00 1.60 C ATOM 236 CD2 PHE A 28 -2.923 2.125 8.313 1.00 1.62 C ATOM 237 CE1 PHE A 28 -3.710 3.496 10.573 1.00 1.98 C ATOM 238 CE2 PHE A 28 -4.240 2.509 8.462 1.00 1.95 C ATOM 239 CZ PHE A 28 -4.635 3.194 9.593 1.00 1.83 C ATOM 0 H PHE A 28 1.699 0.986 9.031 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.152 1.370 11.129 1.00 0.51 H new ATOM 0 HB2 PHE A 28 0.089 2.881 9.214 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.409 1.612 8.112 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -1.671 3.347 11.188 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -2.620 1.589 7.425 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -4.016 4.034 11.458 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -4.961 2.274 7.694 1.00 1.95 H new ATOM 0 HZ PHE A 28 -5.666 3.493 9.712 1.00 1.83 H new ATOM 249 N LEU A 29 -0.785 -1.115 9.056 1.00 0.45 N ATOM 250 CA LEU A 29 -1.578 -2.326 8.882 1.00 0.45 C ATOM 251 C LEU A 29 -1.300 -3.328 9.999 1.00 0.45 C ATOM 252 O LEU A 29 -2.188 -4.073 10.401 1.00 0.48 O ATOM 253 CB LEU A 29 -1.299 -2.957 7.516 1.00 0.53 C ATOM 254 CG LEU A 29 -2.191 -2.477 6.360 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.247 -0.957 6.286 1.00 0.57 C ATOM 256 CD2 LEU A 29 -1.684 -3.047 5.047 1.00 0.70 C ATOM 0 H LEU A 29 -0.073 -0.974 8.340 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.631 -2.050 8.930 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.260 -2.761 7.253 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.407 -4.038 7.608 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.204 -2.835 6.546 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.887 -0.656 5.456 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.651 -0.562 7.218 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.243 -0.563 6.130 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.320 -2.703 4.231 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -0.661 -2.712 4.876 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -1.706 -4.136 5.090 1.00 0.70 H new ATOM 268 N HIS A 30 -0.068 -3.331 10.496 1.00 0.47 N ATOM 269 CA HIS A 30 0.314 -4.182 11.623 1.00 0.53 C ATOM 270 C HIS A 30 -0.582 -3.917 12.829 1.00 0.47 C ATOM 271 O HIS A 30 -1.194 -4.830 13.382 1.00 0.49 O ATOM 272 CB HIS A 30 1.784 -3.928 11.995 1.00 0.67 C ATOM 273 CG HIS A 30 2.228 -4.582 13.270 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.294 -3.914 14.477 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.641 -5.847 13.523 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.730 -4.737 15.410 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.946 -5.914 14.857 1.00 1.41 N ATOM 0 H HIS A 30 0.689 -2.751 10.135 1.00 0.47 H new ATOM 0 HA HIS A 30 0.192 -5.224 11.326 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.417 -4.281 11.181 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.943 -2.853 12.079 1.00 0.67 H new ATOM 0 HD1 HIS A 30 2.044 -2.936 14.624 1.00 1.11 H new ATOM 0 HD2 HIS A 30 2.716 -6.652 12.807 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.884 -4.489 16.450 1.00 1.37 H new ATOM 286 N ASP A 31 -0.662 -2.659 13.224 1.00 0.48 N ATOM 287 CA ASP A 31 -1.433 -2.283 14.400 1.00 0.51 C ATOM 288 C ASP A 31 -2.920 -2.200 14.080 1.00 0.45 C ATOM 289 O ASP A 31 -3.759 -2.330 14.968 1.00 0.49 O ATOM 290 CB ASP A 31 -0.920 -0.966 14.975 1.00 0.63 C ATOM 291 CG ASP A 31 0.398 -1.141 15.706 1.00 1.24 C ATOM 292 OD1 ASP A 31 1.429 -1.404 15.044 1.00 1.98 O ATOM 293 OD2 ASP A 31 0.406 -1.032 16.949 1.00 1.79 O ATOM 0 H ASP A 31 -0.204 -1.880 12.750 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.303 -3.059 15.155 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -0.795 -0.243 14.169 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.662 -0.555 15.659 1.00 0.63 H new ATOM 298 N GLN A 32 -3.242 -1.991 12.811 1.00 0.42 N ATOM 299 CA GLN A 32 -4.628 -2.023 12.359 1.00 0.43 C ATOM 300 C GLN A 32 -5.158 -3.445 12.480 1.00 0.38 C ATOM 301 O GLN A 32 -6.316 -3.670 12.835 1.00 0.43 O ATOM 302 CB GLN A 32 -4.725 -1.565 10.905 1.00 0.52 C ATOM 303 CG GLN A 32 -6.102 -1.067 10.500 1.00 0.57 C ATOM 304 CD GLN A 32 -6.216 -0.847 9.006 1.00 1.17 C ATOM 305 OE1 GLN A 32 -7.305 -0.880 8.443 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.085 -0.653 8.346 1.00 1.31 N ATOM 0 H GLN A 32 -2.563 -1.797 12.075 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.221 -1.349 12.978 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -3.999 -0.769 10.737 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.445 -2.394 10.255 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.855 -1.788 10.817 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.316 -0.133 11.020 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.198 -0.632 8.849 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.101 -0.525 7.334 1.00 1.31 H new ATOM 315 N LEU A 33 -4.283 -4.397 12.175 1.00 0.36 N ATOM 316 CA LEU A 33 -4.582 -5.812 12.316 1.00 0.42 C ATOM 317 C LEU A 33 -4.879 -6.126 13.774 1.00 0.46 C ATOM 318 O LEU A 33 -5.866 -6.784 14.093 1.00 0.54 O ATOM 319 CB LEU A 33 -3.380 -6.641 11.841 1.00 0.53 C ATOM 320 CG LEU A 33 -3.705 -7.857 10.971 1.00 0.80 C ATOM 321 CD1 LEU A 33 -4.557 -8.864 11.729 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.399 -7.415 9.695 1.00 0.83 C ATOM 0 H LEU A 33 -3.345 -4.206 11.822 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.453 -6.062 11.710 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.711 -5.987 11.281 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.831 -6.983 12.718 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.769 -8.350 10.708 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.772 -9.717 11.085 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -4.018 -9.204 12.614 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -5.492 -8.394 12.032 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.626 -8.288 9.083 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.325 -6.897 9.945 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -3.745 -6.742 9.140 1.00 0.83 H new ATOM 334 N ARG A 34 -4.017 -5.628 14.650 1.00 0.47 N ATOM 335 CA ARG A 34 -4.162 -5.835 16.082 1.00 0.58 C ATOM 336 C ARG A 34 -5.433 -5.171 16.598 1.00 0.58 C ATOM 337 O ARG A 34 -6.143 -5.729 17.434 1.00 0.69 O ATOM 338 CB ARG A 34 -2.943 -5.271 16.816 1.00 0.69 C ATOM 339 CG ARG A 34 -2.900 -5.610 18.297 1.00 1.40 C ATOM 340 CD ARG A 34 -2.880 -7.115 18.523 1.00 1.45 C ATOM 341 NE ARG A 34 -1.826 -7.768 17.748 1.00 2.17 N ATOM 342 CZ ARG A 34 -1.858 -9.045 17.367 1.00 2.52 C ATOM 343 NH1 ARG A 34 -2.869 -9.828 17.729 1.00 2.19 N ATOM 344 NH2 ARG A 34 -0.875 -9.538 16.626 1.00 3.49 N ATOM 0 H ARG A 34 -3.202 -5.072 14.389 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.232 -6.906 16.271 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.038 -5.650 16.341 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -2.933 -4.187 16.702 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -2.015 -5.161 18.749 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -3.767 -5.177 18.796 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -2.732 -7.321 19.583 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -3.847 -7.536 18.248 1.00 1.45 H new ATOM 0 HE ARG A 34 -1.014 -7.211 17.482 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -3.625 -9.452 18.301 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -2.889 -10.804 17.435 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -0.096 -8.940 16.349 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -0.898 -10.515 16.333 1.00 3.49 H new ATOM 358 N HIS A 35 -5.720 -3.981 16.085 1.00 0.53 N ATOM 359 CA HIS A 35 -6.888 -3.224 16.515 1.00 0.58 C ATOM 360 C HIS A 35 -8.175 -3.843 15.978 1.00 0.58 C ATOM 361 O HIS A 35 -9.255 -3.627 16.523 1.00 0.74 O ATOM 362 CB HIS A 35 -6.775 -1.764 16.065 1.00 0.59 C ATOM 363 CG HIS A 35 -7.846 -0.880 16.622 1.00 1.15 C ATOM 364 ND1 HIS A 35 -8.857 -0.347 15.856 1.00 1.98 N ATOM 365 CD2 HIS A 35 -8.058 -0.439 17.883 1.00 1.61 C ATOM 366 CE1 HIS A 35 -9.646 0.381 16.620 1.00 2.68 C ATOM 367 NE2 HIS A 35 -9.184 0.339 17.852 1.00 2.42 N ATOM 0 H HIS A 35 -5.159 -3.519 15.370 1.00 0.53 H new ATOM 0 HA HIS A 35 -6.925 -3.256 17.604 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -5.802 -1.375 16.365 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -6.813 -1.724 14.976 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -7.453 -0.659 18.750 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -10.522 0.920 16.292 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -9.599 0.811 18.655 1.00 2.42 H new ATOM 376 N GLY A 36 -8.048 -4.612 14.903 1.00 0.49 N ATOM 377 CA GLY A 36 -9.195 -5.282 14.322 1.00 0.51 C ATOM 378 C GLY A 36 -10.023 -4.356 13.457 1.00 0.47 C ATOM 379 O GLY A 36 -11.252 -4.421 13.471 1.00 0.53 O ATOM 0 H GLY A 36 -7.165 -4.784 14.421 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -8.855 -6.127 13.724 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -9.819 -5.686 15.119 1.00 0.51 H new ATOM 383 N GLY A 37 -9.344 -3.488 12.712 1.00 0.41 N ATOM 384 CA GLY A 37 -10.030 -2.541 11.851 1.00 0.40 C ATOM 385 C GLY A 37 -10.885 -3.223 10.801 1.00 0.39 C ATOM 386 O GLY A 37 -12.054 -2.879 10.620 1.00 0.52 O ATOM 0 H GLY A 37 -8.326 -3.424 12.690 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.658 -1.891 12.460 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -9.295 -1.904 11.359 1.00 0.40 H new ATOM 390 N LEU A 38 -10.303 -4.195 10.115 1.00 0.36 N ATOM 391 CA LEU A 38 -11.025 -4.954 9.102 1.00 0.41 C ATOM 392 C LEU A 38 -11.771 -6.121 9.742 1.00 0.49 C ATOM 393 O LEU A 38 -11.774 -6.275 10.965 1.00 0.83 O ATOM 394 CB LEU A 38 -10.069 -5.489 8.021 1.00 0.44 C ATOM 395 CG LEU A 38 -9.363 -4.444 7.146 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.360 -3.467 6.546 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.291 -3.708 7.931 1.00 0.47 C ATOM 0 H LEU A 38 -9.331 -4.478 10.241 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.741 -4.279 8.632 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.306 -6.094 8.511 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.633 -6.155 7.368 1.00 0.44 H new ATOM 0 HG LEU A 38 -8.877 -4.973 6.326 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -9.831 -2.739 5.931 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.076 -4.010 5.929 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -10.889 -2.950 7.346 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -7.807 -2.974 7.286 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -8.747 -3.200 8.781 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.549 -4.421 8.290 1.00 0.47 H new ATOM 409 N SER A 39 -12.405 -6.935 8.913 1.00 0.47 N ATOM 410 CA SER A 39 -13.079 -8.133 9.385 1.00 0.54 C ATOM 411 C SER A 39 -12.076 -9.278 9.533 1.00 0.48 C ATOM 412 O SER A 39 -10.918 -9.135 9.144 1.00 0.46 O ATOM 413 CB SER A 39 -14.197 -8.506 8.415 1.00 0.67 C ATOM 414 OG SER A 39 -15.085 -7.416 8.232 1.00 1.42 O ATOM 0 H SER A 39 -12.467 -6.786 7.906 1.00 0.47 H new ATOM 0 HA SER A 39 -13.518 -7.942 10.364 1.00 0.54 H new ATOM 0 HB2 SER A 39 -13.770 -8.799 7.456 1.00 0.67 H new ATOM 0 HB3 SER A 39 -14.745 -9.368 8.797 1.00 0.67 H new ATOM 0 HG SER A 39 -15.794 -7.673 7.606 1.00 1.42 H new ATOM 420 N SER A 40 -12.518 -10.406 10.080 1.00 0.60 N ATOM 421 CA SER A 40 -11.625 -11.521 10.391 1.00 0.61 C ATOM 422 C SER A 40 -10.867 -12.001 9.155 1.00 0.53 C ATOM 423 O SER A 40 -9.635 -11.969 9.126 1.00 0.50 O ATOM 424 CB SER A 40 -12.414 -12.683 10.999 1.00 0.77 C ATOM 425 OG SER A 40 -11.552 -13.716 11.455 1.00 1.63 O ATOM 0 H SER A 40 -13.495 -10.574 10.319 1.00 0.60 H new ATOM 0 HA SER A 40 -10.895 -11.161 11.115 1.00 0.61 H new ATOM 0 HB2 SER A 40 -13.018 -12.319 11.830 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.103 -13.084 10.256 1.00 0.77 H new ATOM 0 HG SER A 40 -11.040 -14.072 10.699 1.00 1.63 H new ATOM 431 N ASP A 41 -11.603 -12.434 8.135 1.00 0.57 N ATOM 432 CA ASP A 41 -10.991 -12.969 6.921 1.00 0.58 C ATOM 433 C ASP A 41 -10.157 -11.900 6.232 1.00 0.53 C ATOM 434 O ASP A 41 -9.090 -12.182 5.685 1.00 0.56 O ATOM 435 CB ASP A 41 -12.062 -13.496 5.963 1.00 0.71 C ATOM 436 CG ASP A 41 -11.472 -14.088 4.700 1.00 1.25 C ATOM 437 OD1 ASP A 41 -11.030 -15.255 4.735 1.00 2.20 O ATOM 438 OD2 ASP A 41 -11.459 -13.393 3.662 1.00 1.69 O ATOM 0 H ASP A 41 -12.623 -12.425 8.124 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.340 -13.796 7.204 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.658 -14.254 6.471 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.739 -12.684 5.698 1.00 0.71 H new ATOM 443 N ALA A 42 -10.649 -10.669 6.282 1.00 0.51 N ATOM 444 CA ALA A 42 -9.942 -9.530 5.720 1.00 0.51 C ATOM 445 C ALA A 42 -8.602 -9.328 6.422 1.00 0.47 C ATOM 446 O ALA A 42 -7.572 -9.184 5.775 1.00 0.52 O ATOM 447 CB ALA A 42 -10.800 -8.281 5.835 1.00 0.54 C ATOM 0 H ALA A 42 -11.544 -10.435 6.711 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.744 -9.725 4.666 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.264 -7.431 5.412 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.733 -8.429 5.291 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -11.019 -8.086 6.885 1.00 0.54 H new ATOM 453 N GLN A 43 -8.637 -9.327 7.751 1.00 0.44 N ATOM 454 CA GLN A 43 -7.437 -9.218 8.583 1.00 0.45 C ATOM 455 C GLN A 43 -6.424 -10.297 8.246 1.00 0.45 C ATOM 456 O GLN A 43 -5.276 -10.010 7.932 1.00 0.48 O ATOM 457 CB GLN A 43 -7.820 -9.364 10.051 1.00 0.49 C ATOM 458 CG GLN A 43 -8.328 -8.095 10.702 1.00 0.82 C ATOM 459 CD GLN A 43 -8.952 -8.370 12.052 1.00 0.85 C ATOM 460 OE1 GLN A 43 -10.160 -8.567 12.167 1.00 1.56 O ATOM 461 NE2 GLN A 43 -8.124 -8.427 13.075 1.00 1.12 N ATOM 0 H GLN A 43 -9.502 -9.402 8.287 1.00 0.44 H new ATOM 0 HA GLN A 43 -6.990 -8.242 8.391 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.588 -10.133 10.137 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -6.951 -9.718 10.606 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -7.504 -7.391 10.819 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -9.063 -7.621 10.051 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -7.128 -8.257 12.935 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -8.479 -8.641 14.007 1.00 1.12 H new ATOM 470 N GLU A 44 -6.856 -11.536 8.369 1.00 0.49 N ATOM 471 CA GLU A 44 -6.030 -12.696 8.036 1.00 0.54 C ATOM 472 C GLU A 44 -5.372 -12.554 6.658 1.00 0.51 C ATOM 473 O GLU A 44 -4.169 -12.780 6.515 1.00 0.50 O ATOM 474 CB GLU A 44 -6.882 -13.959 8.095 1.00 0.68 C ATOM 475 CG GLU A 44 -7.407 -14.253 9.491 1.00 1.20 C ATOM 476 CD GLU A 44 -8.473 -15.326 9.505 1.00 1.65 C ATOM 477 OE1 GLU A 44 -8.164 -16.480 9.147 1.00 2.20 O ATOM 478 OE2 GLU A 44 -9.619 -15.024 9.895 1.00 2.36 O ATOM 0 H GLU A 44 -7.790 -11.775 8.702 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.225 -12.762 8.768 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.724 -13.856 7.410 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.291 -14.807 7.748 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -6.578 -14.563 10.128 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -7.814 -13.338 9.921 1.00 1.20 H new ATOM 485 N SER A 45 -6.151 -12.159 5.656 1.00 0.54 N ATOM 486 CA SER A 45 -5.619 -11.945 4.313 1.00 0.59 C ATOM 487 C SER A 45 -4.667 -10.748 4.310 1.00 0.55 C ATOM 488 O SER A 45 -3.635 -10.749 3.637 1.00 0.58 O ATOM 489 CB SER A 45 -6.766 -11.715 3.321 1.00 0.71 C ATOM 490 OG SER A 45 -6.301 -11.694 1.981 1.00 1.04 O ATOM 0 H SER A 45 -7.151 -11.981 5.747 1.00 0.54 H new ATOM 0 HA SER A 45 -5.066 -12.833 4.007 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.511 -12.503 3.436 1.00 0.71 H new ATOM 0 HB3 SER A 45 -7.262 -10.772 3.550 1.00 0.71 H new ATOM 0 HG SER A 45 -6.938 -12.167 1.406 1.00 1.04 H new ATOM 496 N LEU A 46 -5.021 -9.740 5.092 1.00 0.56 N ATOM 497 CA LEU A 46 -4.241 -8.523 5.218 1.00 0.60 C ATOM 498 C LEU A 46 -2.878 -8.812 5.845 1.00 0.50 C ATOM 499 O LEU A 46 -1.868 -8.228 5.455 1.00 0.48 O ATOM 500 CB LEU A 46 -5.029 -7.518 6.062 1.00 0.74 C ATOM 501 CG LEU A 46 -4.341 -6.189 6.324 1.00 0.75 C ATOM 502 CD1 LEU A 46 -3.870 -5.563 5.022 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.274 -5.241 7.056 1.00 1.14 C ATOM 0 H LEU A 46 -5.867 -9.746 5.662 1.00 0.56 H new ATOM 0 HA LEU A 46 -4.060 -8.103 4.229 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -5.979 -7.322 5.565 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -5.260 -7.981 7.021 1.00 0.74 H new ATOM 0 HG LEU A 46 -3.470 -6.375 6.953 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -3.380 -4.612 5.232 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -3.165 -6.233 4.530 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.726 -5.394 4.369 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -4.764 -4.294 7.235 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -6.163 -5.065 6.450 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.566 -5.682 8.009 1.00 1.14 H new ATOM 515 N GLU A 47 -2.861 -9.722 6.809 1.00 0.49 N ATOM 516 CA GLU A 47 -1.625 -10.147 7.450 1.00 0.48 C ATOM 517 C GLU A 47 -0.690 -10.770 6.420 1.00 0.43 C ATOM 518 O GLU A 47 0.514 -10.504 6.409 1.00 0.45 O ATOM 519 CB GLU A 47 -1.933 -11.145 8.566 1.00 0.55 C ATOM 520 CG GLU A 47 -0.703 -11.627 9.313 1.00 0.81 C ATOM 521 CD GLU A 47 -1.042 -12.617 10.403 1.00 1.06 C ATOM 522 OE1 GLU A 47 -1.150 -13.825 10.105 1.00 1.76 O ATOM 523 OE2 GLU A 47 -1.202 -12.194 11.566 1.00 1.51 O ATOM 0 H GLU A 47 -3.697 -10.183 7.167 1.00 0.49 H new ATOM 0 HA GLU A 47 -1.132 -9.278 7.886 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -2.619 -10.682 9.275 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -2.448 -12.006 8.139 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -0.011 -12.089 8.609 1.00 0.81 H new ATOM 0 HG3 GLU A 47 -0.188 -10.771 9.750 1.00 0.81 H new ATOM 530 N VAL A 48 -1.261 -11.590 5.542 1.00 0.41 N ATOM 531 CA VAL A 48 -0.508 -12.184 4.449 1.00 0.42 C ATOM 532 C VAL A 48 0.006 -11.088 3.522 1.00 0.41 C ATOM 533 O VAL A 48 1.163 -11.107 3.102 1.00 0.43 O ATOM 534 CB VAL A 48 -1.368 -13.182 3.641 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.552 -13.831 2.533 1.00 0.49 C ATOM 536 CG2 VAL A 48 -1.959 -14.245 4.554 1.00 0.49 C ATOM 0 H VAL A 48 -2.245 -11.857 5.569 1.00 0.41 H new ATOM 0 HA VAL A 48 0.330 -12.732 4.880 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.185 -12.625 3.183 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.180 -14.529 1.979 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.181 -13.062 1.856 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.290 -14.368 2.969 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.561 -14.937 3.965 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.154 -14.792 5.045 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.587 -13.769 5.308 1.00 0.49 H new ATOM 546 N ALA A 49 -0.862 -10.121 3.233 1.00 0.41 N ATOM 547 CA ALA A 49 -0.510 -8.987 2.386 1.00 0.43 C ATOM 548 C ALA A 49 0.701 -8.244 2.934 1.00 0.43 C ATOM 549 O ALA A 49 1.606 -7.895 2.184 1.00 0.48 O ATOM 550 CB ALA A 49 -1.689 -8.037 2.250 1.00 0.44 C ATOM 0 H ALA A 49 -1.822 -10.102 3.577 1.00 0.41 H new ATOM 0 HA ALA A 49 -0.253 -9.375 1.400 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -1.408 -7.197 1.615 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.531 -8.564 1.803 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.974 -7.667 3.235 1.00 0.44 H new ATOM 556 N ILE A 50 0.710 -8.014 4.244 1.00 0.40 N ATOM 557 CA ILE A 50 1.822 -7.337 4.909 1.00 0.40 C ATOM 558 C ILE A 50 3.145 -8.039 4.616 1.00 0.38 C ATOM 559 O ILE A 50 4.096 -7.426 4.126 1.00 0.41 O ATOM 560 CB ILE A 50 1.614 -7.291 6.439 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.393 -6.438 6.792 1.00 0.53 C ATOM 562 CG2 ILE A 50 2.861 -6.763 7.139 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.057 -6.440 8.269 1.00 0.61 C ATOM 0 H ILE A 50 -0.046 -8.289 4.871 1.00 0.40 H new ATOM 0 HA ILE A 50 1.854 -6.320 4.518 1.00 0.40 H new ATOM 0 HB ILE A 50 1.434 -8.308 6.789 1.00 0.43 H new ATOM 0 HG12 ILE A 50 0.572 -5.412 6.470 1.00 0.53 H new ATOM 0 HG13 ILE A 50 -0.468 -6.802 6.232 1.00 0.53 H new ATOM 0 HG21 ILE A 50 2.691 -6.739 8.215 1.00 0.47 H new ATOM 0 HG22 ILE A 50 3.706 -7.416 6.919 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.079 -5.756 6.784 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.819 -5.815 8.444 1.00 0.61 H new ATOM 0 HD12 ILE A 50 -0.154 -7.459 8.593 1.00 0.61 H new ATOM 0 HD13 ILE A 50 0.902 -6.047 8.835 1.00 0.61 H new ATOM 575 N GLN A 51 3.184 -9.332 4.901 1.00 0.39 N ATOM 576 CA GLN A 51 4.400 -10.119 4.749 1.00 0.43 C ATOM 577 C GLN A 51 4.797 -10.246 3.280 1.00 0.43 C ATOM 578 O GLN A 51 5.981 -10.378 2.953 1.00 0.47 O ATOM 579 CB GLN A 51 4.197 -11.491 5.384 1.00 0.50 C ATOM 580 CG GLN A 51 3.875 -11.399 6.867 1.00 0.78 C ATOM 581 CD GLN A 51 3.513 -12.729 7.488 1.00 1.02 C ATOM 582 OE1 GLN A 51 3.989 -13.784 7.064 1.00 1.84 O ATOM 583 NE2 GLN A 51 2.671 -12.685 8.505 1.00 1.35 N ATOM 0 H GLN A 51 2.382 -9.862 5.241 1.00 0.39 H new ATOM 0 HA GLN A 51 5.217 -9.609 5.258 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.388 -12.010 4.870 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.098 -12.089 5.247 1.00 0.50 H new ATOM 0 HG2 GLN A 51 4.735 -10.983 7.392 1.00 0.78 H new ATOM 0 HG3 GLN A 51 3.048 -10.703 7.009 1.00 0.78 H new ATOM 0 HE21 GLN A 51 2.302 -11.789 8.823 1.00 1.35 H new ATOM 0 HE22 GLN A 51 2.390 -13.547 8.972 1.00 1.35 H new ATOM 592 N CYS A 52 3.812 -10.190 2.398 1.00 0.45 N ATOM 593 CA CYS A 52 4.075 -10.213 0.971 1.00 0.53 C ATOM 594 C CYS A 52 4.628 -8.867 0.508 1.00 0.53 C ATOM 595 O CYS A 52 5.571 -8.823 -0.269 1.00 0.60 O ATOM 596 CB CYS A 52 2.811 -10.571 0.191 1.00 0.59 C ATOM 597 SG CYS A 52 2.148 -12.204 0.579 1.00 0.69 S ATOM 0 H CYS A 52 2.825 -10.128 2.646 1.00 0.45 H new ATOM 0 HA CYS A 52 4.823 -10.981 0.775 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.046 -9.822 0.395 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.029 -10.522 -0.876 1.00 0.59 H new ATOM 0 HG CYS A 52 1.715 -12.217 1.805 1.00 0.69 H new ATOM 603 N LEU A 53 4.055 -7.771 1.009 1.00 0.50 N ATOM 604 CA LEU A 53 4.533 -6.428 0.671 1.00 0.54 C ATOM 605 C LEU A 53 5.974 -6.240 1.132 1.00 0.51 C ATOM 606 O LEU A 53 6.790 -5.643 0.424 1.00 0.58 O ATOM 607 CB LEU A 53 3.644 -5.351 1.308 1.00 0.63 C ATOM 608 CG LEU A 53 2.229 -5.237 0.734 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.423 -4.209 1.513 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.276 -4.860 -0.740 1.00 0.61 C ATOM 0 H LEU A 53 3.261 -7.786 1.649 1.00 0.50 H new ATOM 0 HA LEU A 53 4.488 -6.323 -0.413 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.568 -5.553 2.376 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.139 -4.386 1.200 1.00 0.63 H new ATOM 0 HG LEU A 53 1.743 -6.208 0.827 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.420 -4.139 1.093 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.359 -4.513 2.558 1.00 0.76 H new ATOM 0 HD13 LEU A 53 1.912 -3.237 1.447 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.260 -4.784 -1.129 1.00 0.61 H new ATOM 0 HD22 LEU A 53 2.781 -3.901 -0.854 1.00 0.61 H new ATOM 0 HD23 LEU A 53 2.820 -5.625 -1.294 1.00 0.61 H new ATOM 622 N GLU A 54 6.273 -6.761 2.316 1.00 0.47 N ATOM 623 CA GLU A 54 7.625 -6.724 2.862 1.00 0.51 C ATOM 624 C GLU A 54 8.608 -7.374 1.891 1.00 0.56 C ATOM 625 O GLU A 54 9.659 -6.816 1.572 1.00 0.65 O ATOM 626 CB GLU A 54 7.663 -7.454 4.208 1.00 0.56 C ATOM 627 CG GLU A 54 9.027 -7.447 4.878 1.00 0.73 C ATOM 628 CD GLU A 54 9.095 -8.377 6.070 1.00 1.05 C ATOM 629 OE1 GLU A 54 9.400 -9.576 5.876 1.00 1.62 O ATOM 630 OE2 GLU A 54 8.847 -7.921 7.206 1.00 1.65 O ATOM 0 H GLU A 54 5.591 -7.218 2.921 1.00 0.47 H new ATOM 0 HA GLU A 54 7.915 -5.684 3.009 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.938 -6.994 4.879 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.349 -8.487 4.058 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.786 -7.737 4.152 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.265 -6.433 5.199 1.00 0.73 H new ATOM 637 N THR A 55 8.244 -8.551 1.408 1.00 0.61 N ATOM 638 CA THR A 55 9.093 -9.312 0.506 1.00 0.78 C ATOM 639 C THR A 55 9.062 -8.730 -0.911 1.00 0.83 C ATOM 640 O THR A 55 10.048 -8.798 -1.646 1.00 0.98 O ATOM 641 CB THR A 55 8.642 -10.783 0.477 1.00 0.95 C ATOM 642 OG1 THR A 55 8.493 -11.262 1.822 1.00 1.00 O ATOM 643 CG2 THR A 55 9.643 -11.651 -0.268 1.00 1.16 C ATOM 0 H THR A 55 7.357 -9.004 1.629 1.00 0.61 H new ATOM 0 HA THR A 55 10.117 -9.252 0.875 1.00 0.78 H new ATOM 0 HB THR A 55 7.688 -10.841 -0.047 1.00 0.95 H new ATOM 0 HG1 THR A 55 7.638 -10.951 2.187 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.297 -12.685 -0.271 1.00 1.16 H new ATOM 0 HG22 THR A 55 9.739 -11.297 -1.294 1.00 1.16 H new ATOM 0 HG23 THR A 55 10.613 -11.595 0.227 1.00 1.16 H new ATOM 651 N ALA A 56 7.924 -8.149 -1.272 1.00 0.77 N ATOM 652 CA ALA A 56 7.722 -7.568 -2.594 1.00 0.88 C ATOM 653 C ALA A 56 8.662 -6.401 -2.849 1.00 0.88 C ATOM 654 O ALA A 56 9.448 -6.418 -3.789 1.00 1.15 O ATOM 655 CB ALA A 56 6.287 -7.103 -2.739 1.00 0.90 C ATOM 0 H ALA A 56 7.115 -8.067 -0.656 1.00 0.77 H new ATOM 0 HA ALA A 56 7.939 -8.342 -3.330 1.00 0.88 H new ATOM 0 HB1 ALA A 56 6.143 -6.670 -3.729 1.00 0.90 H new ATOM 0 HB2 ALA A 56 5.615 -7.952 -2.613 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.069 -6.352 -1.979 1.00 0.90 H new ATOM 661 N PHE A 57 8.574 -5.385 -2.007 1.00 0.76 N ATOM 662 CA PHE A 57 9.392 -4.200 -2.166 1.00 1.05 C ATOM 663 C PHE A 57 10.815 -4.454 -1.677 1.00 1.56 C ATOM 664 O PHE A 57 11.702 -3.619 -1.846 1.00 2.05 O ATOM 665 CB PHE A 57 8.777 -3.035 -1.396 1.00 1.04 C ATOM 666 CG PHE A 57 7.490 -2.508 -1.971 1.00 0.93 C ATOM 667 CD1 PHE A 57 6.287 -3.158 -1.738 1.00 1.50 C ATOM 668 CD2 PHE A 57 7.479 -1.343 -2.721 1.00 1.47 C ATOM 669 CE1 PHE A 57 5.103 -2.658 -2.245 1.00 1.50 C ATOM 670 CE2 PHE A 57 6.297 -0.835 -3.224 1.00 1.46 C ATOM 671 CZ PHE A 57 5.108 -1.493 -2.987 1.00 0.92 C ATOM 0 H PHE A 57 7.943 -5.359 -1.206 1.00 0.76 H new ATOM 0 HA PHE A 57 9.432 -3.949 -3.226 1.00 1.05 H new ATOM 0 HB2 PHE A 57 8.597 -3.352 -0.369 1.00 1.04 H new ATOM 0 HB3 PHE A 57 9.501 -2.221 -1.357 1.00 1.04 H new ATOM 0 HD1 PHE A 57 6.276 -4.066 -1.153 1.00 1.50 H new ATOM 0 HD2 PHE A 57 8.407 -0.825 -2.915 1.00 1.47 H new ATOM 0 HE1 PHE A 57 4.174 -3.178 -2.061 1.00 1.50 H new ATOM 0 HE2 PHE A 57 6.304 0.077 -3.803 1.00 1.46 H new ATOM 0 HZ PHE A 57 4.183 -1.098 -3.381 1.00 0.92 H new ATOM 681 N GLY A 58 11.017 -5.619 -1.066 1.00 1.71 N ATOM 682 CA GLY A 58 12.317 -5.969 -0.533 1.00 2.29 C ATOM 683 C GLY A 58 12.684 -5.120 0.665 1.00 2.05 C ATOM 684 O GLY A 58 13.859 -4.838 0.902 1.00 2.60 O ATOM 0 H GLY A 58 10.297 -6.329 -0.932 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.321 -7.021 -0.247 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.072 -5.847 -1.309 1.00 2.29 H new ATOM 688 N VAL A 59 11.675 -4.724 1.426 1.00 1.35 N ATOM 689 CA VAL A 59 11.879 -3.842 2.564 1.00 1.13 C ATOM 690 C VAL A 59 12.027 -4.644 3.847 1.00 1.04 C ATOM 691 O VAL A 59 11.680 -5.826 3.896 1.00 1.22 O ATOM 692 CB VAL A 59 10.725 -2.830 2.716 1.00 0.93 C ATOM 693 CG1 VAL A 59 10.621 -1.970 1.475 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.401 -3.527 2.981 1.00 1.00 C ATOM 0 H VAL A 59 10.705 -5.000 1.275 1.00 1.35 H new ATOM 0 HA VAL A 59 12.798 -3.287 2.378 1.00 1.13 H new ATOM 0 HB VAL A 59 10.947 -2.198 3.576 1.00 0.93 H new ATOM 0 HG11 VAL A 59 9.803 -1.259 1.593 1.00 1.23 H new ATOM 0 HG12 VAL A 59 11.555 -1.428 1.329 1.00 1.23 H new ATOM 0 HG13 VAL A 59 10.430 -2.603 0.609 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.612 -2.782 3.082 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.167 -4.192 2.150 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.473 -4.107 3.901 1.00 1.00 H new ATOM 704 N THR A 60 12.554 -4.001 4.871 1.00 1.18 N ATOM 705 CA THR A 60 12.772 -4.646 6.150 1.00 1.30 C ATOM 706 C THR A 60 12.483 -3.674 7.288 1.00 1.16 C ATOM 707 O THR A 60 11.994 -2.568 7.060 1.00 1.15 O ATOM 708 CB THR A 60 14.222 -5.162 6.280 1.00 1.94 C ATOM 709 OG1 THR A 60 15.147 -4.112 5.963 1.00 2.24 O ATOM 710 CG2 THR A 60 14.473 -6.356 5.369 1.00 2.38 C ATOM 0 H THR A 60 12.841 -3.023 4.840 1.00 1.18 H new ATOM 0 HA THR A 60 12.092 -5.496 6.209 1.00 1.30 H new ATOM 0 HB THR A 60 14.370 -5.484 7.311 1.00 1.94 H new ATOM 0 HG1 THR A 60 16.064 -4.438 6.079 1.00 2.24 H new ATOM 0 HG21 THR A 60 15.503 -6.693 5.486 1.00 2.38 H new ATOM 0 HG22 THR A 60 13.794 -7.166 5.635 1.00 2.38 H new ATOM 0 HG23 THR A 60 14.302 -6.065 4.333 1.00 2.38 H new ATOM 718 N VAL A 61 12.794 -4.071 8.513 1.00 1.41 N ATOM 719 CA VAL A 61 12.647 -3.179 9.654 1.00 1.59 C ATOM 720 C VAL A 61 13.771 -2.131 9.653 1.00 1.83 C ATOM 721 O VAL A 61 13.773 -1.176 10.438 1.00 2.11 O ATOM 722 CB VAL A 61 12.617 -3.975 10.981 1.00 1.81 C ATOM 723 CG1 VAL A 61 13.939 -4.688 11.218 1.00 2.21 C ATOM 724 CG2 VAL A 61 12.264 -3.078 12.156 1.00 1.95 C ATOM 0 H VAL A 61 13.148 -5.000 8.742 1.00 1.41 H new ATOM 0 HA VAL A 61 11.694 -2.657 9.568 1.00 1.59 H new ATOM 0 HB VAL A 61 11.836 -4.731 10.896 1.00 1.81 H new ATOM 0 HG11 VAL A 61 13.892 -5.240 12.157 1.00 2.21 H new ATOM 0 HG12 VAL A 61 14.130 -5.381 10.399 1.00 2.21 H new ATOM 0 HG13 VAL A 61 14.744 -3.955 11.268 1.00 2.21 H new ATOM 0 HG21 VAL A 61 12.251 -3.667 13.073 1.00 1.95 H new ATOM 0 HG22 VAL A 61 13.007 -2.285 12.245 1.00 1.95 H new ATOM 0 HG23 VAL A 61 11.280 -2.637 11.995 1.00 1.95 H new ATOM 734 N GLU A 62 14.717 -2.288 8.735 1.00 1.89 N ATOM 735 CA GLU A 62 15.742 -1.275 8.522 1.00 2.16 C ATOM 736 C GLU A 62 15.085 -0.004 7.998 1.00 1.64 C ATOM 737 O GLU A 62 15.587 1.103 8.188 1.00 1.65 O ATOM 738 CB GLU A 62 16.791 -1.775 7.534 1.00 2.87 C ATOM 739 CG GLU A 62 17.494 -3.039 7.990 1.00 3.13 C ATOM 740 CD GLU A 62 18.384 -3.623 6.918 1.00 3.57 C ATOM 741 OE1 GLU A 62 17.882 -4.416 6.094 1.00 3.98 O ATOM 742 OE2 GLU A 62 19.590 -3.302 6.899 1.00 4.01 O ATOM 0 H GLU A 62 14.795 -3.104 8.128 1.00 1.89 H new ATOM 0 HA GLU A 62 16.242 -1.064 9.467 1.00 2.16 H new ATOM 0 HB2 GLU A 62 16.314 -1.961 6.572 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.533 -0.992 7.376 1.00 2.87 H new ATOM 0 HG2 GLU A 62 18.092 -2.820 8.875 1.00 3.13 H new ATOM 0 HG3 GLU A 62 16.750 -3.779 8.283 1.00 3.13 H new ATOM 749 N ASP A 63 13.936 -0.182 7.358 1.00 1.38 N ATOM 750 CA ASP A 63 13.140 0.934 6.877 1.00 1.61 C ATOM 751 C ASP A 63 12.465 1.647 8.049 1.00 1.60 C ATOM 752 O ASP A 63 11.907 2.731 7.892 1.00 1.95 O ATOM 753 CB ASP A 63 12.101 0.449 5.865 1.00 1.89 C ATOM 754 CG ASP A 63 12.736 -0.083 4.592 1.00 2.88 C ATOM 755 OD1 ASP A 63 13.041 -1.296 4.535 1.00 3.62 O ATOM 756 OD2 ASP A 63 12.944 0.709 3.651 1.00 3.35 O ATOM 0 H ASP A 63 13.534 -1.098 7.160 1.00 1.38 H new ATOM 0 HA ASP A 63 13.798 1.645 6.377 1.00 1.61 H new ATOM 0 HB2 ASP A 63 11.493 -0.334 6.319 1.00 1.89 H new ATOM 0 HB3 ASP A 63 11.429 1.270 5.617 1.00 1.89 H new ATOM 761 N SER A 64 12.527 1.033 9.230 1.00 1.54 N ATOM 762 CA SER A 64 12.052 1.673 10.449 1.00 1.81 C ATOM 763 C SER A 64 13.116 2.627 10.958 1.00 1.74 C ATOM 764 O SER A 64 12.814 3.670 11.536 1.00 1.93 O ATOM 765 CB SER A 64 11.732 0.637 11.529 1.00 2.41 C ATOM 766 OG SER A 64 11.130 1.241 12.661 1.00 2.91 O ATOM 0 H SER A 64 12.902 0.094 9.365 1.00 1.54 H new ATOM 0 HA SER A 64 11.136 2.218 10.220 1.00 1.81 H new ATOM 0 HB2 SER A 64 11.064 -0.122 11.121 1.00 2.41 H new ATOM 0 HB3 SER A 64 12.648 0.128 11.830 1.00 2.41 H new ATOM 0 HG SER A 64 10.936 0.555 13.333 1.00 2.91 H new ATOM 772 N ASP A 65 14.370 2.262 10.736 1.00 1.69 N ATOM 773 CA ASP A 65 15.486 3.127 11.095 1.00 2.03 C ATOM 774 C ASP A 65 15.422 4.428 10.301 1.00 1.90 C ATOM 775 O ASP A 65 15.750 5.501 10.810 1.00 2.28 O ATOM 776 CB ASP A 65 16.820 2.422 10.847 1.00 2.26 C ATOM 777 CG ASP A 65 18.007 3.298 11.189 1.00 2.89 C ATOM 778 OD1 ASP A 65 18.271 3.501 12.394 1.00 3.35 O ATOM 779 OD2 ASP A 65 18.686 3.779 10.260 1.00 3.46 O ATOM 0 H ASP A 65 14.641 1.376 10.310 1.00 1.69 H new ATOM 0 HA ASP A 65 15.412 3.358 12.158 1.00 2.03 H new ATOM 0 HB2 ASP A 65 16.862 1.509 11.442 1.00 2.26 H new ATOM 0 HB3 ASP A 65 16.881 2.124 9.800 1.00 2.26 H new ATOM 784 N LEU A 66 14.975 4.329 9.055 1.00 1.52 N ATOM 785 CA LEU A 66 14.810 5.501 8.205 1.00 1.61 C ATOM 786 C LEU A 66 13.334 5.885 8.082 1.00 1.45 C ATOM 787 O LEU A 66 12.930 6.540 7.123 1.00 1.72 O ATOM 788 CB LEU A 66 15.438 5.250 6.821 1.00 1.77 C ATOM 789 CG LEU A 66 15.003 3.962 6.104 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.677 4.145 5.380 1.00 1.87 C ATOM 791 CD2 LEU A 66 16.072 3.505 5.129 1.00 1.57 C ATOM 0 H LEU A 66 14.720 3.447 8.610 1.00 1.52 H new ATOM 0 HA LEU A 66 15.330 6.340 8.668 1.00 1.61 H new ATOM 0 HB2 LEU A 66 15.201 6.097 6.178 1.00 1.77 H new ATOM 0 HB3 LEU A 66 16.522 5.230 6.935 1.00 1.77 H new ATOM 0 HG LEU A 66 14.867 3.194 6.866 1.00 1.59 H new ATOM 0 HD11 LEU A 66 13.401 3.214 4.885 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.904 4.416 6.099 1.00 1.87 H new ATOM 0 HD13 LEU A 66 13.774 4.936 4.637 1.00 1.87 H new ATOM 0 HD21 LEU A 66 15.745 2.592 4.632 1.00 1.57 H new ATOM 0 HD22 LEU A 66 16.242 4.283 4.384 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.999 3.312 5.669 1.00 1.57 H new ATOM 803 N ALA A 67 12.536 5.481 9.068 1.00 1.30 N ATOM 804 CA ALA A 67 11.106 5.767 9.066 1.00 1.26 C ATOM 805 C ALA A 67 10.847 7.267 9.074 1.00 1.27 C ATOM 806 O ALA A 67 11.593 8.037 9.683 1.00 1.53 O ATOM 807 CB ALA A 67 10.432 5.123 10.263 1.00 1.48 C ATOM 0 H ALA A 67 12.858 4.954 9.880 1.00 1.30 H new ATOM 0 HA ALA A 67 10.685 5.348 8.152 1.00 1.26 H new ATOM 0 HB1 ALA A 67 9.366 5.347 10.244 1.00 1.48 H new ATOM 0 HB2 ALA A 67 10.576 4.043 10.225 1.00 1.48 H new ATOM 0 HB3 ALA A 67 10.869 5.515 11.181 1.00 1.48 H new ATOM 813 N LEU A 68 9.796 7.674 8.386 1.00 1.15 N ATOM 814 CA LEU A 68 9.413 9.074 8.327 1.00 1.28 C ATOM 815 C LEU A 68 8.666 9.469 9.598 1.00 1.55 C ATOM 816 O LEU A 68 8.025 8.621 10.220 1.00 1.55 O ATOM 817 CB LEU A 68 8.553 9.325 7.084 1.00 1.24 C ATOM 818 CG LEU A 68 9.287 9.136 5.751 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.312 9.173 4.587 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.356 10.203 5.578 1.00 1.18 C ATOM 0 H LEU A 68 9.188 7.050 7.856 1.00 1.15 H new ATOM 0 HA LEU A 68 10.309 9.690 8.256 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.695 8.653 7.110 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.163 10.342 7.128 1.00 1.24 H new ATOM 0 HG LEU A 68 9.768 8.158 5.764 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.856 9.037 3.652 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.580 8.374 4.700 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.800 10.135 4.572 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.868 10.055 4.627 1.00 1.18 H new ATOM 0 HD22 LEU A 68 9.891 11.189 5.590 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.077 10.132 6.393 1.00 1.18 H new ATOM 832 N PRO A 69 8.772 10.751 10.009 1.00 1.93 N ATOM 833 CA PRO A 69 8.167 11.270 11.249 1.00 2.35 C ATOM 834 C PRO A 69 6.769 10.722 11.526 1.00 2.24 C ATOM 835 O PRO A 69 6.487 10.225 12.620 1.00 2.61 O ATOM 836 CB PRO A 69 8.106 12.767 10.975 1.00 2.74 C ATOM 837 CG PRO A 69 9.324 13.029 10.163 1.00 2.56 C ATOM 838 CD PRO A 69 9.511 11.814 9.292 1.00 2.06 C ATOM 0 HA PRO A 69 8.740 10.984 12.131 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.199 13.038 10.435 1.00 2.74 H new ATOM 0 HB3 PRO A 69 8.110 13.344 11.900 1.00 2.74 H new ATOM 0 HG2 PRO A 69 9.204 13.928 9.558 1.00 2.56 H new ATOM 0 HG3 PRO A 69 10.192 13.188 10.802 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.111 11.974 8.291 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.565 11.562 9.178 1.00 2.06 H new ATOM 846 N GLN A 70 5.903 10.810 10.533 1.00 1.83 N ATOM 847 CA GLN A 70 4.559 10.278 10.648 1.00 1.81 C ATOM 848 C GLN A 70 4.399 9.119 9.681 1.00 1.42 C ATOM 849 O GLN A 70 5.112 9.038 8.679 1.00 1.30 O ATOM 850 CB GLN A 70 3.520 11.364 10.353 1.00 1.92 C ATOM 851 CG GLN A 70 3.506 11.834 8.906 1.00 1.65 C ATOM 852 CD GLN A 70 2.508 12.948 8.676 1.00 2.17 C ATOM 853 OE1 GLN A 70 1.337 12.700 8.388 1.00 2.65 O ATOM 854 NE2 GLN A 70 2.963 14.182 8.793 1.00 2.75 N ATOM 0 H GLN A 70 6.108 11.247 9.635 1.00 1.83 H new ATOM 0 HA GLN A 70 4.398 9.928 11.668 1.00 1.81 H new ATOM 0 HB2 GLN A 70 2.531 10.985 10.610 1.00 1.92 H new ATOM 0 HB3 GLN A 70 3.711 12.220 11.000 1.00 1.92 H new ATOM 0 HG2 GLN A 70 4.502 12.178 8.628 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.266 10.993 8.255 1.00 1.65 H new ATOM 0 HE21 GLN A 70 3.941 14.344 9.033 1.00 2.75 H new ATOM 0 HE22 GLN A 70 2.337 14.973 8.643 1.00 2.75 H new ATOM 863 N THR A 71 3.486 8.215 9.984 1.00 1.36 N ATOM 864 CA THR A 71 3.215 7.114 9.084 1.00 1.13 C ATOM 865 C THR A 71 2.482 7.634 7.857 1.00 0.86 C ATOM 866 O THR A 71 1.617 8.504 7.947 1.00 0.83 O ATOM 867 CB THR A 71 2.392 5.999 9.762 1.00 1.23 C ATOM 868 OG1 THR A 71 1.201 6.535 10.354 1.00 1.53 O ATOM 869 CG2 THR A 71 3.217 5.287 10.824 1.00 1.55 C ATOM 0 H THR A 71 2.926 8.222 10.837 1.00 1.36 H new ATOM 0 HA THR A 71 4.169 6.676 8.791 1.00 1.13 H new ATOM 0 HB THR A 71 2.111 5.279 8.993 1.00 1.23 H new ATOM 0 HG1 THR A 71 1.289 7.507 10.442 1.00 1.53 H new ATOM 0 HG21 THR A 71 2.616 4.505 11.288 1.00 1.55 H new ATOM 0 HG22 THR A 71 4.098 4.841 10.362 1.00 1.55 H new ATOM 0 HG23 THR A 71 3.529 6.004 11.584 1.00 1.55 H new ATOM 877 N LEU A 72 2.858 7.094 6.710 1.00 0.80 N ATOM 878 CA LEU A 72 2.389 7.589 5.426 1.00 0.65 C ATOM 879 C LEU A 72 0.880 7.442 5.229 1.00 0.65 C ATOM 880 O LEU A 72 0.279 8.316 4.619 1.00 0.66 O ATOM 881 CB LEU A 72 3.159 6.921 4.291 1.00 0.78 C ATOM 882 CG LEU A 72 4.649 7.259 4.256 1.00 0.97 C ATOM 883 CD1 LEU A 72 5.306 6.658 3.027 1.00 1.47 C ATOM 884 CD2 LEU A 72 4.851 8.768 4.296 1.00 1.79 C ATOM 0 H LEU A 72 3.496 6.301 6.642 1.00 0.80 H new ATOM 0 HA LEU A 72 2.585 8.661 5.413 1.00 0.65 H new ATOM 0 HB2 LEU A 72 3.046 5.840 4.378 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.710 7.213 3.342 1.00 0.78 H new ATOM 0 HG LEU A 72 5.123 6.826 5.137 1.00 0.97 H new ATOM 0 HD11 LEU A 72 6.366 6.910 3.021 1.00 1.47 H new ATOM 0 HD12 LEU A 72 5.191 5.574 3.046 1.00 1.47 H new ATOM 0 HD13 LEU A 72 4.833 7.057 2.130 1.00 1.47 H new ATOM 0 HD21 LEU A 72 5.917 8.993 4.270 1.00 1.79 H new ATOM 0 HD22 LEU A 72 4.363 9.223 3.434 1.00 1.79 H new ATOM 0 HD23 LEU A 72 4.417 9.169 5.212 1.00 1.79 H new ATOM 896 N PRO A 73 0.237 6.342 5.697 1.00 0.75 N ATOM 897 CA PRO A 73 -1.229 6.237 5.695 1.00 0.84 C ATOM 898 C PRO A 73 -1.924 7.505 6.200 1.00 0.80 C ATOM 899 O PRO A 73 -2.961 7.897 5.668 1.00 0.82 O ATOM 900 CB PRO A 73 -1.481 5.065 6.635 1.00 1.03 C ATOM 901 CG PRO A 73 -0.310 4.177 6.416 1.00 1.07 C ATOM 902 CD PRO A 73 0.862 5.092 6.186 1.00 0.84 C ATOM 0 HA PRO A 73 -1.630 6.099 4.691 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -1.547 5.392 7.673 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.417 4.558 6.400 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.140 3.534 7.280 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -0.470 3.524 5.558 1.00 1.07 H new ATOM 0 HD2 PRO A 73 1.427 5.258 7.103 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.556 4.678 5.455 1.00 0.84 H new ATOM 910 N GLU A 74 -1.341 8.154 7.208 1.00 0.78 N ATOM 911 CA GLU A 74 -1.879 9.409 7.725 1.00 0.78 C ATOM 912 C GLU A 74 -1.860 10.479 6.638 1.00 0.64 C ATOM 913 O GLU A 74 -2.861 11.160 6.394 1.00 0.64 O ATOM 914 CB GLU A 74 -1.070 9.887 8.929 1.00 0.87 C ATOM 915 CG GLU A 74 -1.078 8.922 10.100 1.00 1.22 C ATOM 916 CD GLU A 74 -0.220 9.404 11.250 1.00 1.48 C ATOM 917 OE1 GLU A 74 -0.704 10.230 12.053 1.00 1.67 O ATOM 918 OE2 GLU A 74 0.945 8.966 11.352 1.00 2.28 O ATOM 0 H GLU A 74 -0.497 7.831 7.681 1.00 0.78 H new ATOM 0 HA GLU A 74 -2.908 9.234 8.040 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -0.039 10.056 8.617 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -1.464 10.848 9.260 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -2.102 8.784 10.447 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -0.721 7.948 9.767 1.00 1.22 H new ATOM 925 N ILE A 75 -0.712 10.611 5.979 1.00 0.58 N ATOM 926 CA ILE A 75 -0.563 11.527 4.855 1.00 0.53 C ATOM 927 C ILE A 75 -1.562 11.181 3.758 1.00 0.49 C ATOM 928 O ILE A 75 -2.136 12.062 3.123 1.00 0.53 O ATOM 929 CB ILE A 75 0.870 11.477 4.272 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.881 11.977 5.305 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.969 12.296 2.989 1.00 0.68 C ATOM 932 CD1 ILE A 75 3.312 11.958 4.815 1.00 1.38 C ATOM 0 H ILE A 75 0.134 10.090 6.208 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.754 12.535 5.224 1.00 0.53 H new ATOM 0 HB ILE A 75 1.101 10.440 4.028 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.619 12.995 5.594 1.00 0.73 H new ATOM 0 HG13 ILE A 75 1.805 11.362 6.202 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.986 12.243 2.601 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.277 11.896 2.248 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.715 13.335 3.200 1.00 0.68 H new ATOM 0 HD11 ILE A 75 3.971 12.326 5.602 1.00 1.38 H new ATOM 0 HD12 ILE A 75 3.594 10.938 4.554 1.00 1.38 H new ATOM 0 HD13 ILE A 75 3.404 12.596 3.936 1.00 1.38 H new ATOM 944 N PHE A 76 -1.782 9.889 3.559 1.00 0.50 N ATOM 945 CA PHE A 76 -2.694 9.418 2.527 1.00 0.56 C ATOM 946 C PHE A 76 -4.128 9.823 2.851 1.00 0.60 C ATOM 947 O PHE A 76 -4.899 10.167 1.959 1.00 0.72 O ATOM 948 CB PHE A 76 -2.603 7.896 2.367 1.00 0.65 C ATOM 949 CG PHE A 76 -1.217 7.386 2.058 1.00 2.05 C ATOM 950 CD1 PHE A 76 -0.225 8.240 1.596 1.00 2.34 C ATOM 951 CD2 PHE A 76 -0.910 6.047 2.233 1.00 2.12 C ATOM 952 CE1 PHE A 76 1.042 7.767 1.320 1.00 2.34 C ATOM 953 CE2 PHE A 76 0.354 5.569 1.956 1.00 2.24 C ATOM 954 CZ PHE A 76 1.332 6.431 1.499 1.00 2.36 C ATOM 0 H PHE A 76 -1.340 9.146 4.101 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.401 9.883 1.586 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.955 7.424 3.284 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.278 7.585 1.570 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.447 9.287 1.451 1.00 2.34 H new ATOM 0 HD2 PHE A 76 -1.670 5.368 2.591 1.00 2.12 H new ATOM 0 HE1 PHE A 76 1.806 8.443 0.964 1.00 2.34 H new ATOM 0 HE2 PHE A 76 0.579 4.522 2.096 1.00 2.24 H new ATOM 0 HZ PHE A 76 2.322 6.059 1.282 1.00 2.36 H new ATOM 964 N GLU A 77 -4.480 9.805 4.130 1.00 0.63 N ATOM 965 CA GLU A 77 -5.814 10.213 4.556 1.00 0.73 C ATOM 966 C GLU A 77 -6.031 11.701 4.316 1.00 0.69 C ATOM 967 O GLU A 77 -7.166 12.168 4.243 1.00 0.80 O ATOM 968 CB GLU A 77 -6.047 9.868 6.026 1.00 0.90 C ATOM 969 CG GLU A 77 -5.962 8.378 6.318 1.00 1.56 C ATOM 970 CD GLU A 77 -6.419 8.028 7.716 1.00 1.94 C ATOM 971 OE1 GLU A 77 -5.640 8.213 8.676 1.00 2.52 O ATOM 972 OE2 GLU A 77 -7.567 7.565 7.865 1.00 2.41 O ATOM 0 H GLU A 77 -3.864 9.514 4.889 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.538 9.662 3.957 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.311 10.393 6.636 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -7.029 10.234 6.326 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -6.571 7.835 5.595 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -4.933 8.044 6.183 1.00 1.56 H new ATOM 979 N ALA A 78 -4.942 12.440 4.190 1.00 0.61 N ATOM 980 CA ALA A 78 -5.019 13.852 3.856 1.00 0.62 C ATOM 981 C ALA A 78 -4.965 14.065 2.342 1.00 0.60 C ATOM 982 O ALA A 78 -5.906 14.589 1.744 1.00 0.65 O ATOM 983 CB ALA A 78 -3.895 14.616 4.542 1.00 0.64 C ATOM 0 H ALA A 78 -3.994 12.086 4.314 1.00 0.61 H new ATOM 0 HA ALA A 78 -5.975 14.234 4.214 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.963 15.673 4.284 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -3.982 14.500 5.622 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -2.933 14.223 4.211 1.00 0.64 H new ATOM 989 N ALA A 79 -3.874 13.619 1.731 1.00 0.65 N ATOM 990 CA ALA A 79 -3.591 13.893 0.324 1.00 0.75 C ATOM 991 C ALA A 79 -4.494 13.115 -0.631 1.00 0.86 C ATOM 992 O ALA A 79 -4.934 13.652 -1.649 1.00 0.99 O ATOM 993 CB ALA A 79 -2.135 13.577 0.022 1.00 0.83 C ATOM 0 H ALA A 79 -3.160 13.057 2.195 1.00 0.65 H new ATOM 0 HA ALA A 79 -3.793 14.952 0.161 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -1.928 13.783 -1.028 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.491 14.196 0.647 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -1.940 12.525 0.231 1.00 0.83 H new ATOM 999 N ALA A 80 -4.763 11.855 -0.316 1.00 0.91 N ATOM 1000 CA ALA A 80 -5.526 10.996 -1.215 1.00 1.12 C ATOM 1001 C ALA A 80 -7.022 11.275 -1.107 1.00 1.27 C ATOM 1002 O ALA A 80 -7.766 11.111 -2.072 1.00 1.56 O ATOM 1003 CB ALA A 80 -5.228 9.530 -0.933 1.00 1.25 C ATOM 0 H ALA A 80 -4.467 11.406 0.550 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.219 11.220 -2.237 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -5.806 8.904 -1.613 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -4.165 9.340 -1.080 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -5.500 9.295 0.096 1.00 1.25 H new ATOM 1009 N THR A 81 -7.459 11.694 0.071 1.00 1.23 N ATOM 1010 CA THR A 81 -8.853 12.028 0.291 1.00 1.46 C ATOM 1011 C THR A 81 -9.158 13.434 -0.225 1.00 1.63 C ATOM 1012 O THR A 81 -10.278 13.733 -0.642 1.00 1.89 O ATOM 1013 CB THR A 81 -9.192 11.945 1.785 1.00 1.60 C ATOM 1014 OG1 THR A 81 -8.551 10.801 2.359 1.00 2.33 O ATOM 1015 CG2 THR A 81 -10.689 11.838 1.997 1.00 1.65 C ATOM 0 H THR A 81 -6.863 11.810 0.891 1.00 1.23 H new ATOM 0 HA THR A 81 -9.464 11.310 -0.256 1.00 1.46 H new ATOM 0 HB THR A 81 -8.836 12.855 2.268 1.00 1.60 H new ATOM 0 HG1 THR A 81 -8.101 11.061 3.190 1.00 2.33 H new ATOM 0 HG21 THR A 81 -10.902 11.781 3.064 1.00 1.65 H new ATOM 0 HG22 THR A 81 -11.180 12.715 1.576 1.00 1.65 H new ATOM 0 HG23 THR A 81 -11.063 10.941 1.504 1.00 1.65 H new ATOM 1023 N GLY A 82 -8.147 14.289 -0.203 1.00 1.69 N ATOM 1024 CA GLY A 82 -8.312 15.650 -0.667 1.00 2.14 C ATOM 1025 C GLY A 82 -7.264 16.029 -1.689 1.00 2.00 C ATOM 1026 O GLY A 82 -6.132 16.366 -1.335 1.00 2.59 O ATOM 0 H GLY A 82 -7.210 14.062 0.130 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -9.304 15.767 -1.104 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -8.255 16.332 0.181 1.00 2.14 H new ATOM 1030 N LYS A 83 -7.631 15.957 -2.954 1.00 1.89 N ATOM 1031 CA LYS A 83 -6.727 16.301 -4.037 1.00 2.11 C ATOM 1032 C LYS A 83 -7.479 17.072 -5.115 1.00 2.84 C ATOM 1033 O LYS A 83 -8.213 16.439 -5.902 1.00 3.20 O ATOM 1034 CB LYS A 83 -6.086 15.034 -4.618 1.00 2.31 C ATOM 1035 CG LYS A 83 -5.104 15.294 -5.756 1.00 2.78 C ATOM 1036 CD LYS A 83 -3.982 16.260 -5.370 1.00 3.44 C ATOM 1037 CE LYS A 83 -3.075 15.712 -4.271 1.00 3.93 C ATOM 1038 NZ LYS A 83 -3.641 15.906 -2.907 1.00 4.41 N ATOM 1039 OXT LYS A 83 -7.341 18.311 -5.162 1.00 3.62 O ATOM 0 H LYS A 83 -8.558 15.661 -3.260 1.00 1.89 H new ATOM 0 HA LYS A 83 -5.931 16.936 -3.649 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -5.567 14.504 -3.819 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -6.875 14.374 -4.978 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -4.667 14.348 -6.075 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -5.646 15.699 -6.611 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -3.381 16.482 -6.252 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -4.419 17.201 -5.037 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -2.906 14.649 -4.442 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -2.103 16.202 -4.330 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -2.866 16.009 -2.221 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -4.231 16.763 -2.894 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -4.222 15.082 -2.652 1.00 4.41 H new ATOM 1054 N MET B 15 -14.738 9.225 5.228 1.00 2.24 N ATOM 1055 CA MET B 15 -14.827 8.459 3.963 1.00 1.67 C ATOM 1056 C MET B 15 -13.738 7.405 3.900 1.00 1.40 C ATOM 1057 O MET B 15 -12.639 7.598 4.422 1.00 1.55 O ATOM 1058 CB MET B 15 -14.713 9.389 2.753 1.00 1.81 C ATOM 1059 CG MET B 15 -15.950 10.236 2.517 1.00 2.21 C ATOM 1060 SD MET B 15 -17.432 9.236 2.276 1.00 3.03 S ATOM 1061 CE MET B 15 -18.653 10.511 1.984 1.00 3.68 C ATOM 0 HA MET B 15 -15.800 7.968 3.938 1.00 1.67 H new ATOM 0 HB2 MET B 15 -13.854 10.046 2.890 1.00 1.81 H new ATOM 0 HB3 MET B 15 -14.518 8.791 1.863 1.00 1.81 H new ATOM 0 HG2 MET B 15 -16.099 10.902 3.367 1.00 2.21 H new ATOM 0 HG3 MET B 15 -15.794 10.866 1.642 1.00 2.21 H new ATOM 0 HE1 MET B 15 -19.627 10.051 1.817 1.00 3.68 H new ATOM 0 HE2 MET B 15 -18.707 11.169 2.851 1.00 3.68 H new ATOM 0 HE3 MET B 15 -18.370 11.091 1.106 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.041 6.290 3.254 1.00 1.24 N ATOM 1074 CA ASP B 16 -13.102 5.185 3.168 1.00 1.13 C ATOM 1075 C ASP B 16 -12.098 5.417 2.052 1.00 0.91 C ATOM 1076 O ASP B 16 -12.188 4.818 0.979 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.838 3.862 2.943 1.00 1.39 C ATOM 1078 CG ASP B 16 -14.742 3.493 4.098 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -14.238 2.952 5.101 1.00 2.27 O ATOM 1080 OD2 ASP B 16 -15.962 3.742 4.006 1.00 2.42 O ATOM 0 H ASP B 16 -14.930 6.127 2.782 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.565 5.129 4.115 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -14.431 3.931 2.031 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -13.109 3.067 2.789 1.00 1.39 H new ATOM 1085 N ASN B 17 -11.125 6.279 2.316 1.00 0.78 N ATOM 1086 CA ASN B 17 -10.057 6.538 1.360 1.00 0.75 C ATOM 1087 C ASN B 17 -9.139 5.331 1.282 1.00 0.62 C ATOM 1088 O ASN B 17 -8.402 5.152 0.313 1.00 0.65 O ATOM 1089 CB ASN B 17 -9.231 7.764 1.761 1.00 0.93 C ATOM 1090 CG ASN B 17 -8.361 7.505 2.981 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -8.794 6.888 3.955 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -7.118 7.945 2.925 1.00 1.71 N ATOM 0 H ASN B 17 -11.053 6.810 3.184 1.00 0.78 H new ATOM 0 HA ASN B 17 -10.516 6.731 0.390 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.599 8.062 0.924 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -9.901 8.598 1.967 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -6.482 7.777 3.705 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -6.793 8.453 2.102 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.199 4.507 2.321 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.355 3.332 2.432 1.00 0.62 C ATOM 1101 C LYS B 18 -8.651 2.334 1.317 1.00 0.54 C ATOM 1102 O LYS B 18 -7.773 1.577 0.909 1.00 0.48 O ATOM 1103 CB LYS B 18 -8.537 2.692 3.812 1.00 0.82 C ATOM 1104 CG LYS B 18 -8.122 3.614 4.953 1.00 1.09 C ATOM 1105 CD LYS B 18 -8.313 2.962 6.315 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.850 3.879 7.443 1.00 1.43 C ATOM 1107 NZ LYS B 18 -8.699 5.095 7.567 1.00 1.89 N ATOM 0 H LYS B 18 -9.835 4.638 3.108 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.314 3.637 2.323 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -9.582 2.410 3.941 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -7.951 1.774 3.862 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -7.076 3.895 4.829 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -8.706 4.533 4.906 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -9.365 2.712 6.456 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -7.755 2.026 6.353 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -7.866 3.330 8.384 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -6.817 4.177 7.265 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -8.110 5.943 7.445 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -9.438 5.079 6.835 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -9.143 5.114 8.507 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.881 2.351 0.807 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.229 1.512 -0.333 1.00 0.61 C ATOM 1123 C LYS B 19 -9.463 1.979 -1.553 1.00 0.53 C ATOM 1124 O LYS B 19 -8.822 1.195 -2.253 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.721 1.578 -0.648 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.629 1.395 0.548 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.900 0.652 0.163 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.590 1.296 -1.031 1.00 1.06 C ATOM 1129 NZ LYS B 19 -15.746 0.493 -1.505 1.00 1.49 N ATOM 0 H LYS B 19 -10.643 2.929 1.161 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.971 0.484 -0.078 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.939 2.542 -1.108 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -11.957 0.812 -1.386 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.103 0.843 1.327 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.886 2.368 0.966 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.658 -0.385 -0.072 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.583 0.635 1.012 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -14.930 2.295 -0.758 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -13.873 1.414 -1.844 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -16.187 0.967 -2.319 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -15.419 -0.452 -1.790 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -16.443 0.401 -0.738 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.532 3.282 -1.779 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.872 3.911 -2.907 1.00 0.59 C ATOM 1145 C ARG B 20 -7.371 3.722 -2.796 1.00 0.55 C ATOM 1146 O ARG B 20 -6.690 3.499 -3.792 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.215 5.401 -2.944 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.699 5.686 -2.772 1.00 0.82 C ATOM 1149 CD ARG B 20 -10.973 7.180 -2.740 1.00 1.01 C ATOM 1150 NE ARG B 20 -12.384 7.472 -2.514 1.00 1.31 N ATOM 1151 CZ ARG B 20 -12.901 8.700 -2.493 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -12.122 9.760 -2.682 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -14.198 8.864 -2.279 1.00 2.34 N ATOM 0 H ARG B 20 -10.048 3.931 -1.184 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.218 3.446 -3.830 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -8.661 5.913 -2.157 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -8.880 5.819 -3.893 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.257 5.229 -3.590 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.055 5.229 -1.849 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.377 7.641 -1.953 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -10.657 7.627 -3.683 1.00 1.01 H new ATOM 0 HE ARG B 20 -13.016 6.686 -2.362 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -11.123 9.636 -2.844 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -12.523 10.698 -2.665 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -14.797 8.052 -2.131 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -14.597 9.802 -2.262 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.873 3.815 -1.569 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.476 3.542 -1.274 1.00 0.58 C ATOM 1169 C LEU B 21 -5.086 2.163 -1.792 1.00 0.57 C ATOM 1170 O LEU B 21 -4.157 2.027 -2.588 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.238 3.625 0.242 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.886 3.101 0.735 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.745 3.849 0.067 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.785 3.233 2.245 1.00 0.61 C ATOM 0 H LEU B 21 -7.426 4.081 -0.754 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.857 4.288 -1.773 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.337 4.666 0.550 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -6.028 3.068 0.746 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.811 2.047 0.469 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.793 3.462 0.431 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.803 3.712 -1.013 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.818 4.911 0.303 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.818 2.856 2.579 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.883 4.282 2.526 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.582 2.656 2.715 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.828 1.155 -1.356 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.556 -0.219 -1.736 1.00 0.63 C ATOM 1188 C ALA B 22 -5.672 -0.413 -3.240 1.00 0.51 C ATOM 1189 O ALA B 22 -4.746 -0.908 -3.877 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.507 -1.159 -1.020 1.00 0.83 C ATOM 0 H ALA B 22 -6.629 1.267 -0.734 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.532 -0.448 -1.443 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.293 -2.187 -1.314 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.379 -1.055 0.057 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.534 -0.912 -1.289 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.798 -0.008 -3.807 1.00 0.62 N ATOM 1197 CA TYR B 23 -7.075 -0.285 -5.207 1.00 0.75 C ATOM 1198 C TYR B 23 -6.139 0.479 -6.143 1.00 0.66 C ATOM 1199 O TYR B 23 -5.702 -0.061 -7.160 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.529 0.020 -5.557 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.856 -0.363 -6.977 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.992 -1.697 -7.337 1.00 1.86 C ATOM 1203 CD2 TYR B 23 -8.991 0.602 -7.963 1.00 1.46 C ATOM 1204 CE1 TYR B 23 -9.251 -2.059 -8.641 1.00 2.48 C ATOM 1205 CE2 TYR B 23 -9.258 0.250 -9.268 1.00 1.83 C ATOM 1206 CZ TYR B 23 -9.385 -1.084 -9.603 1.00 2.22 C ATOM 1207 OH TYR B 23 -9.631 -1.442 -10.909 1.00 2.99 O ATOM 0 H TYR B 23 -7.531 0.511 -3.322 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.896 -1.350 -5.352 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -9.187 -0.518 -4.875 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -8.722 1.083 -5.414 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -8.893 -2.463 -6.583 1.00 1.86 H new ATOM 0 HD2 TYR B 23 -8.885 1.645 -7.704 1.00 1.46 H new ATOM 0 HE1 TYR B 23 -9.348 -3.101 -8.907 1.00 2.48 H new ATOM 0 HE2 TYR B 23 -9.367 1.013 -10.025 1.00 1.83 H new ATOM 0 HH TYR B 23 -9.445 -2.397 -11.027 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.828 1.726 -5.811 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.920 2.514 -6.638 1.00 0.87 C ATOM 1219 C ALA B 24 -3.528 1.899 -6.622 1.00 0.75 C ATOM 1220 O ALA B 24 -2.816 1.909 -7.628 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.871 3.958 -6.170 1.00 1.14 C ATOM 0 H ALA B 24 -6.185 2.209 -4.987 1.00 0.72 H new ATOM 0 HA ALA B 24 -5.295 2.506 -7.661 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -4.187 4.523 -6.803 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.868 4.395 -6.232 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.523 3.994 -5.138 1.00 1.14 H new ATOM 1227 N ILE B 25 -3.154 1.361 -5.470 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.908 0.628 -5.339 1.00 0.71 C ATOM 1229 C ILE B 25 -1.993 -0.686 -6.121 1.00 0.61 C ATOM 1230 O ILE B 25 -1.040 -1.074 -6.796 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.566 0.383 -3.847 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.084 1.693 -3.206 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.522 -0.709 -3.686 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.704 1.566 -1.743 1.00 0.89 C ATOM 0 H ILE B 25 -3.700 1.420 -4.610 1.00 0.63 H new ATOM 0 HA ILE B 25 -1.099 1.224 -5.761 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.469 0.045 -3.339 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.223 2.062 -3.763 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -1.870 2.442 -3.302 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.307 -0.854 -2.627 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.900 -1.639 -4.110 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.391 -0.419 -4.205 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.375 2.535 -1.367 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.568 1.229 -1.171 1.00 0.89 H new ATOM 0 HD13 ILE B 25 0.105 0.843 -1.639 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.155 -1.338 -6.057 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.424 -2.540 -6.851 1.00 0.53 C ATOM 1248 C ILE B 26 -3.159 -2.288 -8.337 1.00 0.51 C ATOM 1249 O ILE B 26 -2.491 -3.080 -8.997 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.889 -3.024 -6.661 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.062 -3.663 -5.279 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.310 -3.998 -7.762 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.471 -4.150 -5.001 1.00 0.78 C ATOM 0 H ILE B 26 -3.930 -1.052 -5.459 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.748 -3.318 -6.496 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.540 -2.152 -6.731 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.373 -4.503 -5.189 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.781 -2.937 -4.516 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.340 -4.314 -7.594 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -5.235 -3.506 -8.732 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.656 -4.870 -7.746 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -6.514 -4.589 -4.004 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.164 -3.311 -5.058 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -6.749 -4.901 -5.741 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.670 -1.172 -8.846 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.522 -0.832 -10.259 1.00 0.62 C ATOM 1267 C GLN B 27 -2.061 -0.607 -10.629 1.00 0.55 C ATOM 1268 O GLN B 27 -1.563 -1.170 -11.605 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.340 0.414 -10.594 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.833 0.227 -10.393 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.405 -0.872 -11.267 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -6.411 -2.094 -10.759 1.00 1.58 O flip ATOM 1273 NE2 GLN B 27 -6.840 -0.625 -12.388 1.00 1.34 N flip ATOM 0 H GLN B 27 -4.192 -0.485 -8.301 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.894 -1.675 -10.842 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.998 1.242 -9.973 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -4.153 0.695 -11.630 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -6.029 -0.007 -9.347 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.346 1.164 -10.611 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -6.818 0.330 -12.745 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -7.224 -1.375 -12.963 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.379 0.211 -9.841 1.00 0.52 N ATOM 1283 CA PHE B 28 0.017 0.527 -10.104 1.00 0.51 C ATOM 1284 C PHE B 28 0.887 -0.721 -9.986 1.00 0.43 C ATOM 1285 O PHE B 28 1.739 -0.973 -10.835 1.00 0.42 O ATOM 1286 CB PHE B 28 0.507 1.610 -9.142 1.00 0.60 C ATOM 1287 CG PHE B 28 1.955 1.978 -9.321 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.387 2.608 -10.476 1.00 1.60 C ATOM 1289 CD2 PHE B 28 2.883 1.698 -8.330 1.00 1.62 C ATOM 1290 CE1 PHE B 28 3.716 2.947 -10.642 1.00 1.98 C ATOM 1291 CE2 PHE B 28 4.213 2.036 -8.490 1.00 1.96 C ATOM 1292 CZ PHE B 28 4.630 2.661 -9.648 1.00 1.83 C ATOM 0 H PHE B 28 -1.769 0.667 -9.016 1.00 0.52 H new ATOM 0 HA PHE B 28 0.096 0.903 -11.124 1.00 0.51 H new ATOM 0 HB2 PHE B 28 -0.103 2.503 -9.275 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.353 1.269 -8.118 1.00 0.60 H new ATOM 0 HD1 PHE B 28 1.676 2.837 -11.256 1.00 1.60 H new ATOM 0 HD2 PHE B 28 2.562 1.210 -7.422 1.00 1.62 H new ATOM 0 HE1 PHE B 28 4.040 3.436 -11.549 1.00 1.98 H new ATOM 0 HE2 PHE B 28 4.926 1.812 -7.710 1.00 1.96 H new ATOM 0 HZ PHE B 28 5.669 2.926 -9.776 1.00 1.83 H new ATOM 1302 N LEU B 29 0.652 -1.505 -8.942 1.00 0.45 N ATOM 1303 CA LEU B 29 1.408 -2.731 -8.710 1.00 0.45 C ATOM 1304 C LEU B 29 1.102 -3.772 -9.784 1.00 0.45 C ATOM 1305 O LEU B 29 1.969 -4.560 -10.150 1.00 0.48 O ATOM 1306 CB LEU B 29 1.106 -3.293 -7.319 1.00 0.53 C ATOM 1307 CG LEU B 29 2.008 -2.790 -6.181 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.109 -1.271 -6.172 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.482 -3.286 -4.846 1.00 0.70 C ATOM 0 H LEU B 29 -0.060 -1.313 -8.238 1.00 0.45 H new ATOM 0 HA LEU B 29 2.469 -2.489 -8.764 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.072 -3.055 -7.069 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.182 -4.379 -7.363 1.00 0.53 H new ATOM 0 HG LEU B 29 3.009 -3.187 -6.348 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.755 -0.954 -5.353 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.528 -0.929 -7.118 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.116 -0.841 -6.038 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.127 -2.925 -4.044 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.469 -2.913 -4.693 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.472 -4.376 -4.841 1.00 0.70 H new ATOM 1321 N HIS B 30 -0.129 -3.761 -10.286 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.533 -4.649 -11.375 1.00 0.53 C ATOM 1323 C HIS B 30 0.375 -4.465 -12.587 1.00 0.48 C ATOM 1324 O HIS B 30 0.958 -5.423 -13.100 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.993 -4.369 -11.763 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.451 -5.066 -13.011 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.498 -4.447 -14.243 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.895 -6.330 -13.212 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.951 -5.298 -15.142 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -3.198 -6.446 -14.544 1.00 1.41 N ATOM 0 H HIS B 30 -0.870 -3.143 -9.954 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.444 -5.680 -11.033 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.639 -4.668 -10.937 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -2.121 -3.295 -11.895 1.00 0.67 H new ATOM 0 HD1 HIS B 30 -2.225 -3.482 -14.429 1.00 1.11 H new ATOM 0 HD2 HIS B 30 -2.992 -7.102 -12.463 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.095 -5.089 -16.192 1.00 1.38 H new ATOM 1339 N ASP B 31 0.495 -3.229 -13.037 1.00 0.48 N ATOM 1340 CA ASP B 31 1.281 -2.927 -14.223 1.00 0.52 C ATOM 1341 C ASP B 31 2.767 -2.874 -13.903 1.00 0.45 C ATOM 1342 O ASP B 31 3.604 -3.074 -14.781 1.00 0.50 O ATOM 1343 CB ASP B 31 0.810 -1.619 -14.858 1.00 0.63 C ATOM 1344 CG ASP B 31 -0.511 -1.792 -15.579 1.00 1.24 C ATOM 1345 OD1 ASP B 31 -1.546 -1.988 -14.904 1.00 1.98 O ATOM 1346 OD2 ASP B 31 -0.519 -1.764 -16.825 1.00 1.79 O ATOM 0 H ASP B 31 0.059 -2.417 -12.600 1.00 0.48 H new ATOM 0 HA ASP B 31 1.130 -3.732 -14.942 1.00 0.52 H new ATOM 0 HB2 ASP B 31 0.707 -0.856 -14.086 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.564 -1.263 -15.560 1.00 0.63 H new ATOM 1351 N GLN B 32 3.092 -2.622 -12.641 1.00 0.42 N ATOM 1352 CA GLN B 32 4.476 -2.674 -12.182 1.00 0.44 C ATOM 1353 C GLN B 32 4.963 -4.114 -12.238 1.00 0.38 C ATOM 1354 O GLN B 32 6.114 -4.390 -12.578 1.00 0.43 O ATOM 1355 CB GLN B 32 4.582 -2.154 -10.750 1.00 0.52 C ATOM 1356 CG GLN B 32 5.973 -1.681 -10.362 1.00 0.57 C ATOM 1357 CD GLN B 32 6.093 -1.397 -8.878 1.00 1.17 C ATOM 1358 OE1 GLN B 32 7.182 -1.435 -8.312 1.00 1.93 O ATOM 1359 NE2 GLN B 32 4.966 -1.141 -8.232 1.00 1.31 N ATOM 0 H GLN B 32 2.416 -2.379 -11.916 1.00 0.42 H new ATOM 0 HA GLN B 32 5.091 -2.046 -12.827 1.00 0.44 H new ATOM 0 HB2 GLN B 32 3.881 -1.329 -10.622 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.274 -2.944 -10.065 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.704 -2.439 -10.644 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.217 -0.779 -10.923 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.081 -1.118 -8.739 1.00 1.31 H new ATOM 0 HE22 GLN B 32 4.982 -0.966 -7.227 1.00 1.31 H new ATOM 1368 N LEU B 33 4.057 -5.024 -11.897 1.00 0.37 N ATOM 1369 CA LEU B 33 4.314 -6.453 -11.975 1.00 0.42 C ATOM 1370 C LEU B 33 4.608 -6.841 -13.415 1.00 0.46 C ATOM 1371 O LEU B 33 5.578 -7.539 -13.700 1.00 0.53 O ATOM 1372 CB LEU B 33 3.088 -7.224 -11.469 1.00 0.53 C ATOM 1373 CG LEU B 33 3.373 -8.410 -10.545 1.00 0.80 C ATOM 1374 CD1 LEU B 33 4.198 -9.472 -11.253 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.076 -7.932 -9.286 1.00 0.83 C ATOM 0 H LEU B 33 3.124 -4.789 -11.559 1.00 0.37 H new ATOM 0 HA LEU B 33 5.175 -6.701 -11.354 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.438 -6.526 -10.941 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.531 -7.588 -12.332 1.00 0.53 H new ATOM 0 HG LEU B 33 2.422 -8.864 -10.265 1.00 0.80 H new ATOM 0 HD11 LEU B 33 4.385 -10.302 -10.572 1.00 1.22 H new ATOM 0 HD12 LEU B 33 3.654 -9.834 -12.125 1.00 1.22 H new ATOM 0 HD13 LEU B 33 5.148 -9.043 -11.571 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.275 -8.783 -8.635 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.018 -7.453 -9.555 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.441 -7.216 -8.764 1.00 0.83 H new ATOM 1387 N ARG B 34 3.766 -6.352 -14.317 1.00 0.47 N ATOM 1388 CA ARG B 34 3.906 -6.628 -15.739 1.00 0.59 C ATOM 1389 C ARG B 34 5.197 -6.023 -16.281 1.00 0.58 C ATOM 1390 O ARG B 34 5.885 -6.631 -17.098 1.00 0.69 O ATOM 1391 CB ARG B 34 2.705 -6.061 -16.500 1.00 0.70 C ATOM 1392 CG ARG B 34 2.656 -6.464 -17.967 1.00 1.41 C ATOM 1393 CD ARG B 34 2.591 -7.976 -18.126 1.00 1.46 C ATOM 1394 NE ARG B 34 1.517 -8.560 -17.325 1.00 2.18 N ATOM 1395 CZ ARG B 34 1.507 -9.821 -16.892 1.00 2.53 C ATOM 1396 NH1 ARG B 34 2.493 -10.649 -17.214 1.00 2.19 N ATOM 1397 NH2 ARG B 34 0.508 -10.254 -16.134 1.00 3.50 N ATOM 0 H ARG B 34 2.971 -5.756 -14.084 1.00 0.47 H new ATOM 0 HA ARG B 34 3.945 -7.708 -15.880 1.00 0.59 H new ATOM 0 HB2 ARG B 34 1.789 -6.393 -16.012 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.726 -4.973 -16.433 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.787 -6.009 -18.442 1.00 1.41 H new ATOM 0 HG3 ARG B 34 3.537 -6.080 -18.481 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.438 -8.225 -19.176 1.00 1.46 H new ATOM 0 HD3 ARG B 34 3.544 -8.414 -17.830 1.00 1.46 H new ATOM 0 HE ARG B 34 0.725 -7.965 -17.082 1.00 2.18 H new ATOM 0 HH11 ARG B 34 3.264 -10.322 -17.796 1.00 2.19 H new ATOM 0 HH12 ARG B 34 2.480 -11.613 -16.880 1.00 2.19 H new ATOM 0 HH21 ARG B 34 -0.252 -9.622 -15.883 1.00 3.50 H new ATOM 0 HH22 ARG B 34 0.500 -11.219 -15.803 1.00 3.50 H new ATOM 1411 N HIS B 35 5.520 -4.824 -15.815 1.00 0.53 N ATOM 1412 CA HIS B 35 6.711 -4.121 -16.275 1.00 0.59 C ATOM 1413 C HIS B 35 7.978 -4.754 -15.702 1.00 0.58 C ATOM 1414 O HIS B 35 9.069 -4.596 -16.251 1.00 0.74 O ATOM 1415 CB HIS B 35 6.642 -2.642 -15.888 1.00 0.59 C ATOM 1416 CG HIS B 35 7.740 -1.813 -16.478 1.00 1.17 C ATOM 1417 ND1 HIS B 35 8.767 -1.277 -15.731 1.00 1.99 N ATOM 1418 CD2 HIS B 35 7.968 -1.432 -17.755 1.00 1.62 C ATOM 1419 CE1 HIS B 35 9.578 -0.603 -16.523 1.00 2.69 C ATOM 1420 NE2 HIS B 35 9.115 -0.683 -17.754 1.00 2.43 N ATOM 0 H HIS B 35 4.974 -4.317 -15.118 1.00 0.53 H new ATOM 0 HA HIS B 35 6.749 -4.201 -17.361 1.00 0.59 H new ATOM 0 HB2 HIS B 35 5.682 -2.237 -16.207 1.00 0.59 H new ATOM 0 HB3 HIS B 35 6.679 -2.558 -14.802 1.00 0.59 H new ATOM 0 HD2 HIS B 35 7.360 -1.673 -18.614 1.00 1.62 H new ATOM 0 HE1 HIS B 35 10.469 -0.076 -16.215 1.00 2.69 H new ATOM 0 HE2 HIS B 35 9.543 -0.255 -18.575 1.00 2.43 H new ATOM 1429 N GLY B 36 7.823 -5.473 -14.598 1.00 0.49 N ATOM 1430 CA GLY B 36 8.947 -6.150 -13.982 1.00 0.51 C ATOM 1431 C GLY B 36 9.798 -5.214 -13.153 1.00 0.47 C ATOM 1432 O GLY B 36 11.024 -5.323 -13.152 1.00 0.53 O ATOM 0 H GLY B 36 6.933 -5.600 -14.116 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.579 -6.958 -13.350 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.563 -6.606 -14.757 1.00 0.51 H new ATOM 1436 N GLY B 37 9.144 -4.293 -12.453 1.00 0.41 N ATOM 1437 CA GLY B 37 9.858 -3.329 -11.632 1.00 0.40 C ATOM 1438 C GLY B 37 10.687 -3.989 -10.549 1.00 0.39 C ATOM 1439 O GLY B 37 11.862 -3.668 -10.371 1.00 0.53 O ATOM 0 H GLY B 37 8.129 -4.196 -12.439 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.508 -2.727 -12.267 1.00 0.40 H new ATOM 0 HA3 GLY B 37 9.142 -2.648 -11.172 1.00 0.40 H new ATOM 1443 N LEU B 38 10.075 -4.912 -9.824 1.00 0.36 N ATOM 1444 CA LEU B 38 10.771 -5.646 -8.775 1.00 0.41 C ATOM 1445 C LEU B 38 11.489 -6.860 -9.359 1.00 0.49 C ATOM 1446 O LEU B 38 11.502 -7.060 -10.576 1.00 0.83 O ATOM 1447 CB LEU B 38 9.798 -6.106 -7.675 1.00 0.44 C ATOM 1448 CG LEU B 38 9.119 -5.004 -6.849 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.144 -4.031 -6.289 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.075 -4.270 -7.669 1.00 0.47 C ATOM 0 H LEU B 38 9.096 -5.172 -9.942 1.00 0.36 H new ATOM 0 HA LEU B 38 11.503 -4.971 -8.332 1.00 0.41 H new ATOM 0 HB2 LEU B 38 9.020 -6.711 -8.141 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.341 -6.758 -6.991 1.00 0.44 H new ATOM 0 HG LEU B 38 8.614 -5.484 -6.011 1.00 0.44 H new ATOM 0 HD11 LEU B 38 9.636 -3.261 -5.708 1.00 0.51 H new ATOM 0 HD12 LEU B 38 10.842 -4.568 -5.647 1.00 0.51 H new ATOM 0 HD13 LEU B 38 10.690 -3.565 -7.110 1.00 0.51 H new ATOM 0 HD21 LEU B 38 7.611 -3.496 -7.058 1.00 0.47 H new ATOM 0 HD22 LEU B 38 8.550 -3.812 -8.537 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.313 -4.974 -8.002 1.00 0.47 H new ATOM 1462 N SER B 39 12.091 -7.658 -8.493 1.00 0.47 N ATOM 1463 CA SER B 39 12.734 -8.894 -8.910 1.00 0.54 C ATOM 1464 C SER B 39 11.697 -10.015 -9.012 1.00 0.48 C ATOM 1465 O SER B 39 10.544 -9.821 -8.634 1.00 0.45 O ATOM 1466 CB SER B 39 13.836 -9.258 -7.918 1.00 0.67 C ATOM 1467 OG SER B 39 14.756 -8.190 -7.774 1.00 1.42 O ATOM 0 H SER B 39 12.148 -7.471 -7.492 1.00 0.47 H new ATOM 0 HA SER B 39 13.184 -8.757 -9.893 1.00 0.54 H new ATOM 0 HB2 SER B 39 13.396 -9.498 -6.950 1.00 0.67 H new ATOM 0 HB3 SER B 39 14.359 -10.151 -8.260 1.00 0.67 H new ATOM 0 HG SER B 39 15.453 -8.443 -7.133 1.00 1.42 H new ATOM 1473 N SER B 40 12.108 -11.179 -9.508 1.00 0.59 N ATOM 1474 CA SER B 40 11.178 -12.278 -9.774 1.00 0.61 C ATOM 1475 C SER B 40 10.402 -12.681 -8.521 1.00 0.53 C ATOM 1476 O SER B 40 9.171 -12.612 -8.498 1.00 0.49 O ATOM 1477 CB SER B 40 11.933 -13.489 -10.328 1.00 0.77 C ATOM 1478 OG SER B 40 11.036 -14.505 -10.753 1.00 1.63 O ATOM 0 H SER B 40 13.080 -11.388 -9.735 1.00 0.59 H new ATOM 0 HA SER B 40 10.460 -11.926 -10.515 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.558 -13.179 -11.165 1.00 0.77 H new ATOM 0 HB3 SER B 40 12.600 -13.886 -9.563 1.00 0.77 H new ATOM 0 HG SER B 40 10.528 -14.836 -9.983 1.00 1.63 H new ATOM 1484 N ASP B 41 11.123 -13.090 -7.480 1.00 0.57 N ATOM 1485 CA ASP B 41 10.492 -13.553 -6.245 1.00 0.58 C ATOM 1486 C ASP B 41 9.686 -12.430 -5.608 1.00 0.53 C ATOM 1487 O ASP B 41 8.608 -12.658 -5.052 1.00 0.55 O ATOM 1488 CB ASP B 41 11.546 -14.065 -5.262 1.00 0.71 C ATOM 1489 CG ASP B 41 10.934 -14.574 -3.974 1.00 1.26 C ATOM 1490 OD1 ASP B 41 10.449 -15.726 -3.954 1.00 2.21 O ATOM 1491 OD2 ASP B 41 10.939 -13.826 -2.971 1.00 1.69 O ATOM 0 H ASP B 41 12.143 -13.111 -7.466 1.00 0.57 H new ATOM 0 HA ASP B 41 9.818 -14.373 -6.492 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.118 -14.866 -5.731 1.00 0.71 H new ATOM 0 HB3 ASP B 41 12.248 -13.263 -5.035 1.00 0.71 H new ATOM 1496 N ALA B 42 10.217 -11.219 -5.709 1.00 0.51 N ATOM 1497 CA ALA B 42 9.542 -10.035 -5.200 1.00 0.50 C ATOM 1498 C ALA B 42 8.210 -9.825 -5.917 1.00 0.47 C ATOM 1499 O ALA B 42 7.182 -9.628 -5.280 1.00 0.52 O ATOM 1500 CB ALA B 42 10.438 -8.821 -5.366 1.00 0.54 C ATOM 0 H ALA B 42 11.121 -11.031 -6.143 1.00 0.51 H new ATOM 0 HA ALA B 42 9.334 -10.176 -4.139 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.928 -7.937 -4.983 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.364 -8.974 -4.812 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.666 -8.679 -6.422 1.00 0.54 H new ATOM 1506 N GLN B 43 8.250 -9.882 -7.244 1.00 0.44 N ATOM 1507 CA GLN B 43 7.056 -9.774 -8.083 1.00 0.45 C ATOM 1508 C GLN B 43 6.010 -10.808 -7.703 1.00 0.45 C ATOM 1509 O GLN B 43 4.873 -10.473 -7.403 1.00 0.48 O ATOM 1510 CB GLN B 43 7.438 -9.997 -9.541 1.00 0.49 C ATOM 1511 CG GLN B 43 7.986 -8.774 -10.247 1.00 0.82 C ATOM 1512 CD GLN B 43 8.602 -9.131 -11.581 1.00 0.85 C ATOM 1513 OE1 GLN B 43 9.801 -9.375 -11.683 1.00 1.57 O ATOM 1514 NE2 GLN B 43 7.776 -9.204 -12.602 1.00 1.12 N ATOM 0 H GLN B 43 9.114 -10.005 -7.772 1.00 0.44 H new ATOM 0 HA GLN B 43 6.638 -8.778 -7.936 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.182 -10.792 -9.590 1.00 0.49 H new ATOM 0 HB3 GLN B 43 6.560 -10.349 -10.082 1.00 0.49 H new ATOM 0 HG2 GLN B 43 7.185 -8.050 -10.397 1.00 0.82 H new ATOM 0 HG3 GLN B 43 8.735 -8.294 -9.617 1.00 0.82 H new ATOM 0 HE21 GLN B 43 6.786 -8.993 -12.474 1.00 1.12 H new ATOM 0 HE22 GLN B 43 8.125 -9.472 -13.522 1.00 1.12 H new ATOM 1523 N GLU B 44 6.405 -12.064 -7.772 1.00 0.49 N ATOM 1524 CA GLU B 44 5.544 -13.183 -7.392 1.00 0.54 C ATOM 1525 C GLU B 44 4.884 -12.963 -6.027 1.00 0.51 C ATOM 1526 O GLU B 44 3.674 -13.154 -5.882 1.00 0.50 O ATOM 1527 CB GLU B 44 6.359 -14.472 -7.391 1.00 0.68 C ATOM 1528 CG GLU B 44 6.881 -14.845 -8.767 1.00 1.20 C ATOM 1529 CD GLU B 44 7.911 -15.949 -8.722 1.00 1.65 C ATOM 1530 OE1 GLU B 44 7.569 -17.068 -8.296 1.00 2.20 O ATOM 1531 OE2 GLU B 44 9.068 -15.703 -9.131 1.00 2.36 O ATOM 0 H GLU B 44 7.332 -12.345 -8.093 1.00 0.49 H new ATOM 0 HA GLU B 44 4.741 -13.257 -8.125 1.00 0.54 H new ATOM 0 HB2 GLU B 44 7.200 -14.363 -6.707 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.742 -15.285 -7.010 1.00 0.68 H new ATOM 0 HG2 GLU B 44 6.047 -15.158 -9.395 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.319 -13.964 -9.236 1.00 1.20 H new ATOM 1538 N SER B 45 5.673 -12.545 -5.039 1.00 0.54 N ATOM 1539 CA SER B 45 5.143 -12.256 -3.707 1.00 0.59 C ATOM 1540 C SER B 45 4.228 -11.033 -3.761 1.00 0.55 C ATOM 1541 O SER B 45 3.192 -10.975 -3.096 1.00 0.58 O ATOM 1542 CB SER B 45 6.294 -12.015 -2.721 1.00 0.71 C ATOM 1543 OG SER B 45 5.825 -11.917 -1.386 1.00 1.04 O ATOM 0 H SER B 45 6.678 -12.399 -5.134 1.00 0.54 H new ATOM 0 HA SER B 45 4.563 -13.113 -3.364 1.00 0.59 H new ATOM 0 HB2 SER B 45 7.014 -12.830 -2.795 1.00 0.71 H new ATOM 0 HB3 SER B 45 6.820 -11.099 -2.991 1.00 0.71 H new ATOM 0 HG SER B 45 5.807 -10.976 -1.114 1.00 1.04 H new ATOM 1549 N LEU B 46 4.616 -10.071 -4.585 1.00 0.56 N ATOM 1550 CA LEU B 46 3.873 -8.838 -4.768 1.00 0.60 C ATOM 1551 C LEU B 46 2.505 -9.113 -5.386 1.00 0.50 C ATOM 1552 O LEU B 46 1.511 -8.487 -5.024 1.00 0.48 O ATOM 1553 CB LEU B 46 4.694 -7.896 -5.651 1.00 0.74 C ATOM 1554 CG LEU B 46 4.047 -6.559 -5.974 1.00 0.75 C ATOM 1555 CD1 LEU B 46 3.590 -5.863 -4.703 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.009 -5.672 -6.742 1.00 1.14 C ATOM 0 H LEU B 46 5.464 -10.127 -5.150 1.00 0.56 H new ATOM 0 HA LEU B 46 3.701 -8.369 -3.799 1.00 0.60 H new ATOM 0 HB2 LEU B 46 5.648 -7.707 -5.159 1.00 0.74 H new ATOM 0 HB3 LEU B 46 4.914 -8.407 -6.588 1.00 0.74 H new ATOM 0 HG LEU B 46 3.174 -6.747 -6.599 1.00 0.75 H new ATOM 0 HD11 LEU B 46 3.130 -4.908 -4.956 1.00 1.28 H new ATOM 0 HD12 LEU B 46 2.864 -6.490 -4.186 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.448 -5.691 -4.054 1.00 1.28 H new ATOM 0 HD21 LEU B 46 4.528 -4.720 -6.964 1.00 1.14 H new ATOM 0 HD22 LEU B 46 5.901 -5.496 -6.141 1.00 1.14 H new ATOM 0 HD23 LEU B 46 5.291 -6.162 -7.674 1.00 1.14 H new ATOM 1568 N GLU B 47 2.463 -10.064 -6.309 1.00 0.49 N ATOM 1569 CA GLU B 47 1.217 -10.478 -6.935 1.00 0.48 C ATOM 1570 C GLU B 47 0.261 -11.029 -5.882 1.00 0.43 C ATOM 1571 O GLU B 47 -0.935 -10.728 -5.890 1.00 0.45 O ATOM 1572 CB GLU B 47 1.497 -11.532 -8.005 1.00 0.55 C ATOM 1573 CG GLU B 47 0.255 -12.008 -8.738 1.00 0.81 C ATOM 1574 CD GLU B 47 0.572 -13.050 -9.785 1.00 1.06 C ATOM 1575 OE1 GLU B 47 0.662 -14.247 -9.432 1.00 1.75 O ATOM 1576 OE2 GLU B 47 0.741 -12.679 -10.966 1.00 1.52 O ATOM 0 H GLU B 47 3.286 -10.566 -6.642 1.00 0.49 H new ATOM 0 HA GLU B 47 0.751 -9.614 -7.409 1.00 0.48 H new ATOM 0 HB2 GLU B 47 2.200 -11.122 -8.730 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.983 -12.389 -7.539 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -0.452 -12.422 -8.019 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -0.233 -11.157 -9.212 1.00 0.81 H new ATOM 1583 N VAL B 48 0.804 -11.825 -4.967 1.00 0.41 N ATOM 1584 CA VAL B 48 0.029 -12.348 -3.853 1.00 0.42 C ATOM 1585 C VAL B 48 -0.454 -11.198 -2.976 1.00 0.41 C ATOM 1586 O VAL B 48 -1.613 -11.165 -2.560 1.00 0.43 O ATOM 1587 CB VAL B 48 0.855 -13.336 -2.999 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.017 -13.912 -1.868 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.417 -14.454 -3.860 1.00 0.48 C ATOM 0 H VAL B 48 1.780 -12.121 -4.977 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.824 -12.887 -4.264 1.00 0.42 H new ATOM 0 HB VAL B 48 1.687 -12.783 -2.562 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.622 -14.604 -1.283 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.333 -13.103 -1.226 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.840 -14.442 -2.284 1.00 0.49 H new ATOM 0 HG21 VAL B 48 1.995 -15.137 -3.238 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.598 -14.997 -4.331 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.062 -14.031 -4.630 1.00 0.48 H new ATOM 1599 N ALA B 49 0.440 -10.246 -2.727 1.00 0.41 N ATOM 1600 CA ALA B 49 0.121 -9.067 -1.930 1.00 0.43 C ATOM 1601 C ALA B 49 -1.065 -8.311 -2.516 1.00 0.43 C ATOM 1602 O ALA B 49 -1.960 -7.900 -1.786 1.00 0.48 O ATOM 1603 CB ALA B 49 1.328 -8.149 -1.832 1.00 0.44 C ATOM 0 H ALA B 49 1.400 -10.270 -3.070 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.150 -9.404 -0.929 1.00 0.43 H new ATOM 0 HB1 ALA B 49 1.072 -7.274 -1.234 1.00 0.44 H new ATOM 0 HB2 ALA B 49 2.153 -8.682 -1.360 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.625 -7.831 -2.831 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.062 -8.139 -3.834 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.152 -7.459 -4.534 1.00 0.41 C ATOM 1611 C ILE B 50 -3.497 -8.107 -4.216 1.00 0.38 C ATOM 1612 O ILE B 50 -4.429 -7.445 -3.756 1.00 0.41 O ATOM 1613 CB ILE B 50 -1.939 -7.487 -6.063 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -0.691 -6.686 -6.448 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.168 -6.951 -6.787 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.352 -6.763 -7.922 1.00 0.62 C ATOM 0 H ILE B 50 -0.312 -8.463 -4.445 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.154 -6.425 -4.188 1.00 0.41 H new ATOM 0 HB ILE B 50 -1.788 -8.522 -6.369 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -0.840 -5.642 -6.172 1.00 0.53 H new ATOM 0 HG13 ILE B 50 0.157 -7.051 -5.869 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -2.997 -6.979 -7.863 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.033 -7.567 -6.540 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.354 -5.923 -6.476 1.00 0.47 H new ATOM 0 HD11 ILE B 50 0.542 -6.172 -8.121 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.171 -7.801 -8.200 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.183 -6.371 -8.508 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.574 -9.409 -4.444 1.00 0.39 N ATOM 1629 CA GLN B 51 -4.812 -10.154 -4.261 1.00 0.43 C ATOM 1630 C GLN B 51 -5.217 -10.201 -2.790 1.00 0.43 C ATOM 1631 O GLN B 51 -6.405 -10.277 -2.461 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.647 -11.559 -4.834 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.320 -11.541 -6.318 1.00 0.78 C ATOM 1634 CD GLN B 51 -3.996 -12.909 -6.877 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -4.500 -13.927 -6.404 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -3.147 -12.934 -7.890 1.00 1.35 N ATOM 0 H GLN B 51 -2.787 -9.976 -4.759 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.614 -9.645 -4.796 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -3.854 -12.078 -4.296 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.565 -12.125 -4.673 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -5.166 -11.124 -6.864 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -3.473 -10.877 -6.488 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -2.755 -12.063 -8.248 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -2.884 -13.824 -8.313 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.233 -10.137 -1.908 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.502 -10.091 -0.482 1.00 0.52 C ATOM 1647 C CYS B 52 -5.014 -8.709 -0.081 1.00 0.53 C ATOM 1648 O CYS B 52 -5.956 -8.603 0.690 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.252 -10.453 0.318 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.640 -12.124 0.002 1.00 0.69 S ATOM 0 H CYS B 52 -3.243 -10.116 -2.154 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.274 -10.826 -0.256 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.463 -9.738 0.085 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.471 -10.351 1.381 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.204 -12.203 -1.220 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.408 -7.655 -0.628 1.00 0.49 N ATOM 1657 CA LEU B 53 -4.846 -6.284 -0.352 1.00 0.53 C ATOM 1658 C LEU B 53 -6.279 -6.074 -0.824 1.00 0.50 C ATOM 1659 O LEU B 53 -7.079 -5.423 -0.148 1.00 0.57 O ATOM 1660 CB LEU B 53 -3.924 -5.264 -1.031 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.508 -5.166 -0.456 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -1.669 -4.198 -1.277 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -2.547 -4.724 0.999 1.00 0.61 C ATOM 0 H LEU B 53 -3.613 -7.723 -1.264 1.00 0.49 H new ATOM 0 HA LEU B 53 -4.799 -6.132 0.726 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -3.851 -5.515 -2.089 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.391 -4.281 -0.969 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.051 -6.154 -0.503 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -0.665 -4.139 -0.856 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.610 -4.550 -2.307 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.129 -3.210 -1.257 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -1.531 -4.661 1.387 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.024 -3.746 1.070 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.115 -5.448 1.584 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.591 -6.637 -1.987 1.00 0.46 N ATOM 1676 CA GLU B 54 -7.940 -6.582 -2.540 1.00 0.50 C ATOM 1677 C GLU B 54 -8.944 -7.157 -1.542 1.00 0.56 C ATOM 1678 O GLU B 54 -9.970 -6.545 -1.246 1.00 0.65 O ATOM 1679 CB GLU B 54 -7.996 -7.370 -3.853 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.360 -7.347 -4.526 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.456 -8.322 -5.680 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -9.834 -9.488 -5.442 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.158 -7.933 -6.829 1.00 1.66 O ATOM 0 H GLU B 54 -5.922 -7.141 -2.569 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.199 -5.542 -2.737 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.255 -6.964 -4.541 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.716 -8.405 -3.657 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.128 -7.584 -3.790 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.565 -6.340 -4.888 1.00 0.73 H new ATOM 1690 N THR B 55 -8.620 -8.324 -1.010 1.00 0.61 N ATOM 1691 CA THR B 55 -9.492 -9.018 -0.078 1.00 0.77 C ATOM 1692 C THR B 55 -9.445 -8.372 1.310 1.00 0.83 C ATOM 1693 O THR B 55 -10.435 -8.368 2.040 1.00 0.98 O ATOM 1694 CB THR B 55 -9.084 -10.500 0.017 1.00 0.95 C ATOM 1695 OG1 THR B 55 -8.953 -11.047 -1.304 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.111 -11.303 0.798 1.00 1.15 C ATOM 0 H THR B 55 -7.749 -8.815 -1.211 1.00 0.61 H new ATOM 0 HA THR B 55 -10.514 -8.946 -0.450 1.00 0.77 H new ATOM 0 HB THR B 55 -8.131 -10.559 0.542 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.091 -10.779 -1.685 1.00 0.99 H new ATOM 0 HG21 THR B 55 -9.796 -12.345 0.848 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.197 -10.901 1.807 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.078 -11.240 0.299 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.291 -7.816 1.652 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.076 -7.186 2.949 1.00 0.87 C ATOM 1706 C ALA B 56 -8.983 -5.982 3.148 1.00 0.88 C ATOM 1707 O ALA B 56 -9.776 -5.938 4.083 1.00 1.14 O ATOM 1708 CB ALA B 56 -6.628 -6.758 3.081 1.00 0.89 C ATOM 0 H ALA B 56 -7.477 -7.789 1.038 1.00 0.76 H new ATOM 0 HA ALA B 56 -8.318 -7.920 3.717 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -6.475 -6.288 4.052 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -5.981 -7.631 2.994 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -6.385 -6.047 2.292 1.00 0.89 H new ATOM 1714 N PHE B 57 -8.862 -5.006 2.263 1.00 0.76 N ATOM 1715 CA PHE B 57 -9.646 -3.791 2.366 1.00 1.05 C ATOM 1716 C PHE B 57 -11.074 -4.024 1.882 1.00 1.57 C ATOM 1717 O PHE B 57 -11.939 -3.161 2.020 1.00 2.06 O ATOM 1718 CB PHE B 57 -8.994 -2.679 1.548 1.00 1.04 C ATOM 1719 CG PHE B 57 -7.693 -2.166 2.105 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -6.509 -2.862 1.905 1.00 1.49 C ATOM 1721 CD2 PHE B 57 -7.650 -0.971 2.803 1.00 1.47 C ATOM 1722 CE1 PHE B 57 -5.311 -2.375 2.394 1.00 1.50 C ATOM 1723 CE2 PHE B 57 -6.453 -0.476 3.288 1.00 1.47 C ATOM 1724 CZ PHE B 57 -5.283 -1.179 3.083 1.00 0.92 C ATOM 0 H PHE B 57 -8.227 -5.034 1.465 1.00 0.76 H new ATOM 0 HA PHE B 57 -9.682 -3.493 3.414 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -8.821 -3.045 0.536 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -9.693 -1.846 1.470 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -6.524 -3.795 1.361 1.00 1.49 H new ATOM 0 HD2 PHE B 57 -8.563 -0.418 2.971 1.00 1.47 H new ATOM 0 HE1 PHE B 57 -4.398 -2.930 2.237 1.00 1.50 H new ATOM 0 HE2 PHE B 57 -6.434 0.460 3.827 1.00 1.47 H new ATOM 0 HZ PHE B 57 -4.347 -0.794 3.461 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.308 -5.207 1.319 1.00 1.71 N ATOM 1735 CA GLY B 58 -12.616 -5.541 0.796 1.00 2.29 C ATOM 1736 C GLY B 58 -12.952 -4.735 -0.438 1.00 2.05 C ATOM 1737 O GLY B 58 -14.115 -4.424 -0.688 1.00 2.60 O ATOM 0 H GLY B 58 -10.608 -5.942 1.217 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -12.651 -6.604 0.556 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.370 -5.363 1.563 1.00 2.29 H new ATOM 1741 N VAL B 59 -11.932 -4.403 -1.210 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.105 -3.568 -2.387 1.00 1.13 C ATOM 1743 C VAL B 59 -12.270 -4.419 -3.634 1.00 1.04 C ATOM 1744 O VAL B 59 -11.949 -5.610 -3.632 1.00 1.22 O ATOM 1745 CB VAL B 59 -10.921 -2.597 -2.576 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -10.795 -1.686 -1.375 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.619 -3.343 -2.805 1.00 1.00 C ATOM 0 H VAL B 59 -10.971 -4.700 -1.042 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.010 -2.980 -2.231 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.122 -1.996 -3.463 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -9.956 -1.006 -1.521 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -11.713 -1.110 -1.257 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -10.625 -2.285 -0.480 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -8.807 -2.627 -2.934 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.408 -3.979 -1.946 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.705 -3.959 -3.700 1.00 1.00 H new ATOM 1757 N THR B 60 -12.785 -3.809 -4.685 1.00 1.17 N ATOM 1758 CA THR B 60 -13.016 -4.502 -5.937 1.00 1.30 C ATOM 1759 C THR B 60 -12.689 -3.592 -7.115 1.00 1.16 C ATOM 1760 O THR B 60 -12.165 -2.495 -6.932 1.00 1.14 O ATOM 1761 CB THR B 60 -14.480 -4.980 -6.054 1.00 1.94 C ATOM 1762 OG1 THR B 60 -15.372 -3.886 -5.794 1.00 2.24 O ATOM 1763 CG2 THR B 60 -14.771 -6.121 -5.091 1.00 2.38 C ATOM 0 H THR B 60 -13.053 -2.825 -4.695 1.00 1.17 H new ATOM 0 HA THR B 60 -12.362 -5.374 -5.954 1.00 1.30 H new ATOM 0 HB THR B 60 -14.634 -5.347 -7.069 1.00 1.94 H new ATOM 0 HG1 THR B 60 -16.299 -4.190 -5.890 1.00 2.24 H new ATOM 0 HG21 THR B 60 -15.810 -6.433 -5.200 1.00 2.38 H new ATOM 0 HG22 THR B 60 -14.114 -6.962 -5.314 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.598 -5.787 -4.068 1.00 2.38 H new ATOM 1771 N VAL B 61 -13.008 -4.032 -8.324 1.00 1.40 N ATOM 1772 CA VAL B 61 -12.834 -3.193 -9.501 1.00 1.59 C ATOM 1773 C VAL B 61 -13.926 -2.110 -9.552 1.00 1.83 C ATOM 1774 O VAL B 61 -13.894 -1.189 -10.372 1.00 2.11 O ATOM 1775 CB VAL B 61 -12.824 -4.047 -10.791 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -14.167 -4.731 -11.004 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -12.441 -3.212 -12.006 1.00 1.95 C ATOM 0 H VAL B 61 -13.387 -4.960 -8.515 1.00 1.40 H new ATOM 0 HA VAL B 61 -11.867 -2.694 -9.432 1.00 1.59 H new ATOM 0 HB VAL B 61 -12.066 -4.821 -10.668 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -14.132 -5.325 -11.918 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -14.382 -5.382 -10.156 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -14.950 -3.977 -11.091 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -12.443 -3.842 -12.896 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -13.160 -2.403 -12.132 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -11.445 -2.793 -11.861 1.00 1.95 H new ATOM 1787 N GLU B 62 -14.879 -2.199 -8.632 1.00 1.89 N ATOM 1788 CA GLU B 62 -15.875 -1.149 -8.469 1.00 2.15 C ATOM 1789 C GLU B 62 -15.184 0.125 -7.998 1.00 1.63 C ATOM 1790 O GLU B 62 -15.652 1.238 -8.240 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.940 -1.575 -7.463 1.00 2.86 C ATOM 1792 CG GLU B 62 -17.679 -2.838 -7.868 1.00 3.13 C ATOM 1793 CD GLU B 62 -18.589 -3.342 -6.773 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -18.108 -4.094 -5.898 1.00 3.97 O ATOM 1795 OE2 GLU B 62 -19.787 -2.987 -6.778 1.00 4.00 O ATOM 0 H GLU B 62 -14.982 -2.985 -7.990 1.00 1.89 H new ATOM 0 HA GLU B 62 -16.365 -0.966 -9.425 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.470 -1.733 -6.492 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.659 -0.765 -7.341 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -18.267 -2.641 -8.765 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -16.957 -3.613 -8.124 1.00 3.13 H new ATOM 1802 N ASP B 63 -14.041 -0.060 -7.345 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.213 1.051 -6.909 1.00 1.61 C ATOM 1804 C ASP B 63 -12.514 1.692 -8.107 1.00 1.59 C ATOM 1805 O ASP B 63 -11.923 2.764 -7.994 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.192 0.581 -5.871 1.00 1.89 C ATOM 1807 CG ASP B 63 -12.847 0.123 -4.578 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -13.192 -1.077 -4.470 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -13.029 0.960 -3.671 1.00 3.35 O ATOM 0 H ASP B 63 -13.668 -0.979 -7.106 1.00 1.36 H new ATOM 0 HA ASP B 63 -13.851 1.801 -6.442 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -11.605 -0.238 -6.288 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -11.498 1.393 -5.655 1.00 1.89 H new ATOM 1814 N SER B 64 -12.590 1.030 -9.261 1.00 1.56 N ATOM 1815 CA SER B 64 -12.091 1.600 -10.506 1.00 1.82 C ATOM 1816 C SER B 64 -13.124 2.562 -11.061 1.00 1.73 C ATOM 1817 O SER B 64 -12.787 3.568 -11.684 1.00 1.91 O ATOM 1818 CB SER B 64 -11.799 0.508 -11.539 1.00 2.42 C ATOM 1819 OG SER B 64 -11.170 1.042 -12.694 1.00 2.92 O ATOM 0 H SER B 64 -12.993 0.098 -9.357 1.00 1.56 H new ATOM 0 HA SER B 64 -11.159 2.126 -10.298 1.00 1.82 H new ATOM 0 HB2 SER B 64 -11.159 -0.254 -11.094 1.00 2.42 H new ATOM 0 HB3 SER B 64 -12.729 0.017 -11.824 1.00 2.42 H new ATOM 0 HG SER B 64 -10.995 0.321 -13.334 1.00 2.92 H new ATOM 1825 N ASP B 65 -14.389 2.244 -10.829 1.00 1.68 N ATOM 1826 CA ASP B 65 -15.478 3.127 -11.229 1.00 2.03 C ATOM 1827 C ASP B 65 -15.377 4.460 -10.492 1.00 1.91 C ATOM 1828 O ASP B 65 -15.670 5.518 -11.050 1.00 2.28 O ATOM 1829 CB ASP B 65 -16.833 2.473 -10.959 1.00 2.26 C ATOM 1830 CG ASP B 65 -17.991 3.371 -11.338 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -18.251 3.535 -12.550 1.00 3.35 O ATOM 1832 OD2 ASP B 65 -18.648 3.915 -10.428 1.00 3.46 O ATOM 0 H ASP B 65 -14.688 1.385 -10.368 1.00 1.68 H new ATOM 0 HA ASP B 65 -15.394 3.311 -12.300 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -16.901 1.540 -11.519 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -16.906 2.217 -9.902 1.00 2.26 H new ATOM 1837 N LEU B 66 -14.937 4.401 -9.241 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.741 5.604 -8.442 1.00 1.62 C ATOM 1839 C LEU B 66 -13.255 5.953 -8.331 1.00 1.45 C ATOM 1840 O LEU B 66 -12.837 6.647 -7.401 1.00 1.72 O ATOM 1841 CB LEU B 66 -15.378 5.432 -7.051 1.00 1.77 C ATOM 1842 CG LEU B 66 -14.984 4.163 -6.279 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.655 4.339 -5.558 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -16.070 3.782 -5.287 1.00 1.57 C ATOM 0 H LEU B 66 -14.709 3.532 -8.758 1.00 1.52 H new ATOM 0 HA LEU B 66 -15.237 6.435 -8.943 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -15.115 6.298 -6.444 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -16.462 5.441 -7.167 1.00 1.77 H new ATOM 0 HG LEU B 66 -14.870 3.359 -7.006 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -13.407 3.422 -5.023 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.873 4.557 -6.285 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -13.732 5.164 -4.849 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.773 2.881 -4.750 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -16.216 4.596 -4.577 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -17.002 3.595 -5.821 1.00 1.57 H new ATOM 1856 N ALA B 67 -12.466 5.479 -9.293 1.00 1.30 N ATOM 1857 CA ALA B 67 -11.028 5.722 -9.298 1.00 1.26 C ATOM 1858 C ALA B 67 -10.724 7.212 -9.369 1.00 1.28 C ATOM 1859 O ALA B 67 -11.443 7.976 -10.016 1.00 1.54 O ATOM 1860 CB ALA B 67 -10.372 5.008 -10.464 1.00 1.48 C ATOM 0 H ALA B 67 -12.801 4.923 -10.080 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.622 5.330 -8.366 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -9.299 5.201 -10.452 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -10.549 3.936 -10.380 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -10.796 5.374 -11.399 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.661 7.616 -8.697 1.00 1.16 N ATOM 1867 CA LEU B 68 -9.236 9.005 -8.698 1.00 1.29 C ATOM 1868 C LEU B 68 -8.473 9.323 -9.981 1.00 1.56 C ATOM 1869 O LEU B 68 -7.854 8.428 -10.561 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.374 9.285 -7.463 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.117 9.178 -6.128 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.146 9.235 -4.961 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.156 10.284 -6.004 1.00 1.18 C ATOM 0 H LEU B 68 -9.072 6.997 -8.140 1.00 1.16 H new ATOM 0 HA LEU B 68 -10.114 9.649 -8.660 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.537 8.587 -7.455 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -7.953 10.287 -7.550 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.627 8.215 -6.103 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.698 9.157 -4.024 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.439 8.409 -5.035 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.603 10.180 -4.985 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.674 10.192 -5.049 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.662 11.254 -6.057 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -10.877 10.199 -6.817 1.00 1.18 H new ATOM 1885 N PRO B 69 -8.537 10.588 -10.449 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.916 11.032 -11.711 1.00 2.36 C ATOM 1887 C PRO B 69 -6.531 10.440 -11.959 1.00 2.25 C ATOM 1888 O PRO B 69 -6.256 9.898 -13.033 1.00 2.62 O ATOM 1889 CB PRO B 69 -7.813 12.537 -11.503 1.00 2.75 C ATOM 1890 CG PRO B 69 -9.024 12.872 -10.708 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.248 11.702 -9.784 1.00 2.06 C ATOM 0 HA PRO B 69 -8.496 10.719 -12.579 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.900 12.805 -10.972 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -7.798 13.071 -12.453 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -8.878 13.793 -10.144 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.886 13.028 -11.356 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -8.847 11.895 -8.789 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.309 11.484 -9.664 1.00 2.06 H new ATOM 1899 N GLN B 70 -5.670 10.533 -10.964 1.00 1.85 N ATOM 1900 CA GLN B 70 -4.341 9.960 -11.055 1.00 1.82 C ATOM 1901 C GLN B 70 -4.215 8.842 -10.041 1.00 1.41 C ATOM 1902 O GLN B 70 -4.935 8.827 -9.039 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.273 11.027 -10.802 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.249 11.558 -9.376 1.00 1.65 C ATOM 1905 CD GLN B 70 -2.219 12.650 -9.190 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -1.058 12.384 -8.880 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -2.639 13.889 -9.363 1.00 2.76 N ATOM 0 H GLN B 70 -5.868 11.002 -10.080 1.00 1.85 H new ATOM 0 HA GLN B 70 -4.189 9.564 -12.059 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.294 10.609 -11.039 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -3.438 11.860 -11.485 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.235 11.943 -9.117 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -3.036 10.739 -8.689 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -3.610 14.067 -9.620 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -1.993 14.668 -9.240 1.00 2.76 H new ATOM 1916 N THR B 71 -3.328 7.896 -10.297 1.00 1.34 N ATOM 1917 CA THR B 71 -3.114 6.835 -9.341 1.00 1.13 C ATOM 1918 C THR B 71 -2.379 7.400 -8.135 1.00 0.85 C ATOM 1919 O THR B 71 -1.496 8.247 -8.261 1.00 0.83 O ATOM 1920 CB THR B 71 -2.316 5.664 -9.960 1.00 1.22 C ATOM 1921 OG1 THR B 71 -1.102 6.135 -10.565 1.00 1.53 O ATOM 1922 CG2 THR B 71 -3.153 4.931 -10.999 1.00 1.55 C ATOM 0 H THR B 71 -2.758 7.844 -11.141 1.00 1.34 H new ATOM 0 HA THR B 71 -4.082 6.438 -9.035 1.00 1.13 H new ATOM 0 HB THR B 71 -2.064 4.973 -9.155 1.00 1.22 H new ATOM 0 HG1 THR B 71 -1.119 7.114 -10.613 1.00 1.53 H new ATOM 0 HG21 THR B 71 -2.572 4.111 -11.422 1.00 1.55 H new ATOM 0 HG22 THR B 71 -4.052 4.534 -10.528 1.00 1.55 H new ATOM 0 HG23 THR B 71 -3.435 5.623 -11.793 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.738 6.889 -6.969 1.00 0.80 N ATOM 1931 CA LEU B 72 -2.265 7.435 -5.708 1.00 0.66 C ATOM 1932 C LEU B 72 -0.764 7.254 -5.497 1.00 0.66 C ATOM 1933 O LEU B 72 -0.138 8.136 -4.923 1.00 0.67 O ATOM 1934 CB LEU B 72 -3.060 6.845 -4.547 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.540 7.230 -4.533 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -5.219 6.703 -3.283 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.698 8.741 -4.641 1.00 1.79 C ATOM 0 H LEU B 72 -3.362 6.088 -6.870 1.00 0.80 H new ATOM 0 HA LEU B 72 -2.432 8.511 -5.746 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -2.980 5.759 -4.583 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.605 7.167 -3.610 1.00 0.78 H new ATOM 0 HG LEU B 72 -5.024 6.774 -5.397 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -6.271 6.988 -3.293 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -5.138 5.616 -3.255 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -4.737 7.126 -2.401 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.757 8.998 -4.630 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.199 9.220 -3.798 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -4.251 9.088 -5.572 1.00 1.79 H new ATOM 1949 N PRO B 73 -0.154 6.118 -5.913 1.00 0.75 N ATOM 1950 CA PRO B 73 1.307 5.969 -5.903 1.00 0.84 C ATOM 1951 C PRO B 73 2.043 7.193 -6.461 1.00 0.80 C ATOM 1952 O PRO B 73 3.091 7.572 -5.943 1.00 0.82 O ATOM 1953 CB PRO B 73 1.528 4.750 -6.789 1.00 1.03 C ATOM 1954 CG PRO B 73 0.329 3.908 -6.537 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.814 4.868 -6.350 1.00 0.84 C ATOM 0 HA PRO B 73 1.700 5.864 -4.892 1.00 0.84 H new ATOM 0 HB2 PRO B 73 1.608 5.028 -7.840 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.447 4.226 -6.527 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.141 3.235 -7.373 1.00 1.06 H new ATOM 0 HG3 PRO B 73 0.467 3.287 -5.652 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -1.372 5.012 -7.275 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.522 4.507 -5.604 1.00 0.84 H new ATOM 1963 N GLU B 74 1.481 7.816 -7.498 1.00 0.78 N ATOM 1964 CA GLU B 74 2.059 9.032 -8.067 1.00 0.78 C ATOM 1965 C GLU B 74 2.069 10.148 -7.027 1.00 0.64 C ATOM 1966 O GLU B 74 3.087 10.809 -6.812 1.00 0.64 O ATOM 1967 CB GLU B 74 1.266 9.480 -9.294 1.00 0.86 C ATOM 1968 CG GLU B 74 1.248 8.463 -10.420 1.00 1.21 C ATOM 1969 CD GLU B 74 0.407 8.920 -11.591 1.00 1.47 C ATOM 1970 OE1 GLU B 74 0.920 9.685 -12.432 1.00 1.67 O ATOM 1971 OE2 GLU B 74 -0.773 8.520 -11.677 1.00 2.27 O ATOM 0 H GLU B 74 0.628 7.499 -7.959 1.00 0.78 H new ATOM 0 HA GLU B 74 3.083 8.814 -8.369 1.00 0.78 H new ATOM 0 HB2 GLU B 74 0.240 9.693 -8.993 1.00 0.86 H new ATOM 0 HB3 GLU B 74 1.689 10.413 -9.667 1.00 0.86 H new ATOM 0 HG2 GLU B 74 2.268 8.279 -10.758 1.00 1.21 H new ATOM 0 HG3 GLU B 74 0.861 7.516 -10.045 1.00 1.21 H new ATOM 1978 N ILE B 75 0.924 10.342 -6.381 1.00 0.58 N ATOM 1979 CA ILE B 75 0.799 11.310 -5.297 1.00 0.53 C ATOM 1980 C ILE B 75 1.784 10.981 -4.182 1.00 0.49 C ATOM 1981 O ILE B 75 2.384 11.869 -3.583 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.637 11.329 -4.719 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.630 11.811 -5.778 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.715 12.204 -3.472 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -3.061 11.856 -5.291 1.00 1.37 C ATOM 0 H ILE B 75 0.063 9.837 -6.592 1.00 0.58 H new ATOM 0 HA ILE B 75 1.021 12.295 -5.708 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.901 10.311 -4.431 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.337 12.806 -6.112 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -1.571 11.154 -6.645 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.735 12.199 -3.087 1.00 0.68 H new ATOM 0 HG22 ILE B 75 -0.038 11.815 -2.711 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.428 13.225 -3.725 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -3.708 12.207 -6.095 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -3.372 10.858 -4.984 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -3.135 12.536 -4.442 1.00 1.37 H new ATOM 1997 N PHE B 76 1.963 9.694 -3.926 1.00 0.50 N ATOM 1998 CA PHE B 76 2.857 9.241 -2.869 1.00 0.56 C ATOM 1999 C PHE B 76 4.303 9.591 -3.204 1.00 0.59 C ATOM 2000 O PHE B 76 5.080 9.952 -2.326 1.00 0.72 O ATOM 2001 CB PHE B 76 2.720 7.731 -2.643 1.00 0.65 C ATOM 2002 CG PHE B 76 1.319 7.278 -2.318 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.352 8.180 -1.898 1.00 2.34 C ATOM 2004 CD2 PHE B 76 0.973 5.941 -2.435 1.00 2.12 C ATOM 2005 CE1 PHE B 76 -0.930 7.759 -1.607 1.00 2.35 C ATOM 2006 CE2 PHE B 76 -0.308 5.514 -2.142 1.00 2.24 C ATOM 2007 CZ PHE B 76 -1.259 6.424 -1.728 1.00 2.37 C ATOM 0 H PHE B 76 1.500 8.942 -4.437 1.00 0.50 H new ATOM 0 HA PHE B 76 2.575 9.753 -1.949 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.060 7.209 -3.537 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.383 7.435 -1.830 1.00 0.65 H new ATOM 0 HD1 PHE B 76 0.606 9.225 -1.797 1.00 2.34 H new ATOM 0 HD2 PHE B 76 1.713 5.225 -2.759 1.00 2.12 H new ATOM 0 HE1 PHE B 76 -1.674 8.473 -1.285 1.00 2.35 H new ATOM 0 HE2 PHE B 76 -0.565 4.469 -2.237 1.00 2.24 H new ATOM 0 HZ PHE B 76 -2.261 6.092 -1.499 1.00 2.37 H new ATOM 2017 N GLU B 77 4.658 9.505 -4.481 1.00 0.62 N ATOM 2018 CA GLU B 77 6.006 9.853 -4.915 1.00 0.73 C ATOM 2019 C GLU B 77 6.267 11.343 -4.733 1.00 0.69 C ATOM 2020 O GLU B 77 7.415 11.778 -4.663 1.00 0.79 O ATOM 2021 CB GLU B 77 6.234 9.437 -6.370 1.00 0.89 C ATOM 2022 CG GLU B 77 6.108 7.939 -6.596 1.00 1.56 C ATOM 2023 CD GLU B 77 6.558 7.515 -7.976 1.00 1.93 C ATOM 2024 OE1 GLU B 77 5.787 7.694 -8.939 1.00 2.51 O ATOM 2025 OE2 GLU B 77 7.694 7.003 -8.103 1.00 2.40 O ATOM 0 H GLU B 77 4.036 9.199 -5.229 1.00 0.62 H new ATOM 0 HA GLU B 77 6.713 9.306 -4.291 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.515 9.955 -7.005 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.227 9.762 -6.682 1.00 0.89 H new ATOM 0 HG2 GLU B 77 6.700 7.412 -5.848 1.00 1.56 H new ATOM 0 HG3 GLU B 77 5.070 7.640 -6.449 1.00 1.56 H new ATOM 2032 N ALA B 78 5.200 12.123 -4.670 1.00 0.60 N ATOM 2033 CA ALA B 78 5.312 13.544 -4.385 1.00 0.61 C ATOM 2034 C ALA B 78 5.269 13.817 -2.879 1.00 0.60 C ATOM 2035 O ALA B 78 6.225 14.332 -2.300 1.00 0.64 O ATOM 2036 CB ALA B 78 4.214 14.312 -5.103 1.00 0.64 C ATOM 0 H ALA B 78 4.245 11.795 -4.813 1.00 0.60 H new ATOM 0 HA ALA B 78 6.279 13.888 -4.753 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.309 15.375 -4.881 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.304 14.156 -6.178 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.241 13.956 -4.765 1.00 0.64 H new ATOM 2042 N ALA B 79 4.162 13.434 -2.253 1.00 0.64 N ATOM 2043 CA ALA B 79 3.885 13.778 -0.860 1.00 0.75 C ATOM 2044 C ALA B 79 4.760 13.017 0.130 1.00 0.86 C ATOM 2045 O ALA B 79 5.212 13.584 1.126 1.00 0.99 O ATOM 2046 CB ALA B 79 2.419 13.520 -0.552 1.00 0.83 C ATOM 0 H ALA B 79 3.431 12.877 -2.695 1.00 0.64 H new ATOM 0 HA ALA B 79 4.120 14.836 -0.741 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.215 13.777 0.487 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.797 14.131 -1.206 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.193 12.466 -0.716 1.00 0.83 H new ATOM 2052 N ALA B 80 4.992 11.738 -0.129 1.00 0.90 N ATOM 2053 CA ALA B 80 5.727 10.897 0.810 1.00 1.11 C ATOM 2054 C ALA B 80 7.229 11.127 0.697 1.00 1.26 C ATOM 2055 O ALA B 80 7.964 10.985 1.674 1.00 1.55 O ATOM 2056 CB ALA B 80 5.383 9.429 0.592 1.00 1.25 C ATOM 0 H ALA B 80 4.685 11.260 -0.976 1.00 0.90 H new ATOM 0 HA ALA B 80 5.426 11.174 1.820 1.00 1.11 H new ATOM 0 HB1 ALA B 80 5.940 8.816 1.300 1.00 1.25 H new ATOM 0 HB2 ALA B 80 4.314 9.279 0.744 1.00 1.25 H new ATOM 0 HB3 ALA B 80 5.649 9.140 -0.425 1.00 1.25 H new ATOM 2062 N THR B 81 7.683 11.479 -0.497 1.00 1.23 N ATOM 2063 CA THR B 81 9.089 11.762 -0.725 1.00 1.46 C ATOM 2064 C THR B 81 9.434 13.181 -0.272 1.00 1.63 C ATOM 2065 O THR B 81 10.563 13.465 0.128 1.00 1.88 O ATOM 2066 CB THR B 81 9.428 11.603 -2.214 1.00 1.59 C ATOM 2067 OG1 THR B 81 8.755 10.454 -2.741 1.00 2.33 O ATOM 2068 CG2 THR B 81 10.921 11.442 -2.417 1.00 1.64 C ATOM 0 H THR B 81 7.094 11.575 -1.324 1.00 1.23 H new ATOM 0 HA THR B 81 9.677 11.052 -0.143 1.00 1.46 H new ATOM 0 HB THR B 81 9.099 12.502 -2.736 1.00 1.59 H new ATOM 0 HG1 THR B 81 8.337 10.684 -3.597 1.00 2.33 H new ATOM 0 HG21 THR B 81 11.134 11.331 -3.480 1.00 1.64 H new ATOM 0 HG22 THR B 81 11.437 12.322 -2.033 1.00 1.64 H new ATOM 0 HG23 THR B 81 11.267 10.557 -1.884 1.00 1.64 H new ATOM 2076 N GLY B 82 8.446 14.063 -0.332 1.00 1.68 N ATOM 2077 CA GLY B 82 8.651 15.437 0.074 1.00 2.13 C ATOM 2078 C GLY B 82 7.614 15.891 1.074 1.00 1.99 C ATOM 2079 O GLY B 82 6.494 16.245 0.704 1.00 2.59 O ATOM 0 H GLY B 82 7.503 13.849 -0.656 1.00 1.68 H new ATOM 0 HA2 GLY B 82 9.645 15.542 0.509 1.00 2.13 H new ATOM 0 HA3 GLY B 82 8.617 16.083 -0.803 1.00 2.13 H new ATOM 2083 N LYS B 83 7.976 15.863 2.342 1.00 1.88 N ATOM 2084 CA LYS B 83 7.078 16.281 3.401 1.00 2.11 C ATOM 2085 C LYS B 83 7.845 17.081 4.443 1.00 2.84 C ATOM 2086 O LYS B 83 8.542 16.466 5.276 1.00 3.19 O ATOM 2087 CB LYS B 83 6.396 15.062 4.036 1.00 2.30 C ATOM 2088 CG LYS B 83 5.420 15.402 5.158 1.00 2.77 C ATOM 2089 CD LYS B 83 4.332 16.382 4.725 1.00 3.43 C ATOM 2090 CE LYS B 83 3.410 15.814 3.649 1.00 3.92 C ATOM 2091 NZ LYS B 83 3.985 15.932 2.280 1.00 4.40 N ATOM 2092 OXT LYS B 83 7.763 18.324 4.413 1.00 3.61 O ATOM 0 H LYS B 83 8.892 15.553 2.665 1.00 1.88 H new ATOM 0 HA LYS B 83 6.301 16.918 2.979 1.00 2.11 H new ATOM 0 HB2 LYS B 83 5.862 14.514 3.260 1.00 2.30 H new ATOM 0 HB3 LYS B 83 7.163 14.394 4.428 1.00 2.30 H new ATOM 0 HG2 LYS B 83 4.953 14.485 5.517 1.00 2.77 H new ATOM 0 HG3 LYS B 83 5.972 15.827 5.996 1.00 2.77 H new ATOM 0 HD2 LYS B 83 3.737 16.663 5.594 1.00 3.43 H new ATOM 0 HD3 LYS B 83 4.799 17.293 4.351 1.00 3.43 H new ATOM 0 HE2 LYS B 83 3.209 14.765 3.865 1.00 3.92 H new ATOM 0 HE3 LYS B 83 2.453 16.336 3.683 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 3.216 16.046 1.589 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 4.614 16.759 2.238 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 4.527 15.073 2.056 1.00 4.40 H new