USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 SER OG : rot -140:sc= 0.433 USER MOD Set 1.2: A 89 ASN : amide:sc= 0.465 X(o=0.9,f=0.58) USER MOD Set 2.1: A 68 SER OG : rot 160:sc= 0.041 USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 21 ASN : amide:sc= 1.15 K(o=2,f=-4.7!) USER MOD Set 3.2: A 22 ASN : amide:sc= 0.863 K(o=2,f=0.39) USER MOD Single : A 5 MET CE :methyl -133:sc= -0.399 (180deg=-1.35) USER MOD Single : A 7 MET CE :methyl -142:sc= -1.52 (180deg=-3.83!) USER MOD Single : A 10 TYR OH : rot 168:sc= 0.237 USER MOD Single : A 15 SER OG : rot 180:sc= -0.054 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -0.0196 (180deg=-0.296) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00523 USER MOD Single : A 24 THR OG1 : rot 66:sc= 0.67 USER MOD Single : A 25 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.41) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 41 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.018) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.18! K(o=-1.2!,f=0) USER MOD Single : A 51 GLN : amide:sc= -5.28! K(o=-5.3!,f=-0.85) USER MOD Single : A 52 SER OG : rot 66:sc= 0.163 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 63 SER OG : rot 164:sc= 1.25 USER MOD Single : A 71 THR OG1 : rot 41:sc= 0.235 USER MOD Single : A 74 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -128:sc= 0.25 (180deg=-0.235) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00769 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 87 SER OG : rot -81:sc= 2.07 USER MOD Single : A 90 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0019 K(o=-0.0019,f=-0.94) USER MOD Single : A 98 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-3.1) USER MOD Single : A 99 CYS SG : rot 77:sc= -5.41! USER MOD Single : A 101 ASN : amide:sc= -0.477 K(o=-0.48,f=-4.5!) USER MOD Single : A 104 SER OG : rot 180:sc=-0.00618 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 107 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0436) USER MOD Single : A 108 SER OG : rot 40:sc= 0.0806 USER MOD Single : A 116 CYS SG : rot -130:sc= -1.25 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 4 5.198 10.453 -7.108 1.00 0.61 N ATOM 2 CA ALA A 4 4.881 9.159 -6.547 1.00 0.53 C ATOM 3 C ALA A 4 4.994 8.059 -7.592 1.00 0.44 C ATOM 4 O ALA A 4 4.778 8.283 -8.783 1.00 0.54 O ATOM 5 CB ALA A 4 3.489 9.180 -5.952 1.00 0.64 C ATOM 0 HA ALA A 4 5.604 8.944 -5.760 1.00 0.53 H new ATOM 0 HB1 ALA A 4 3.258 8.201 -5.532 1.00 0.64 H new ATOM 0 HB2 ALA A 4 3.441 9.933 -5.166 1.00 0.64 H new ATOM 0 HB3 ALA A 4 2.764 9.421 -6.730 1.00 0.64 H new ATOM 11 N MET A 5 5.337 6.873 -7.131 1.00 0.39 N ATOM 12 CA MET A 5 5.467 5.712 -7.993 1.00 0.37 C ATOM 13 C MET A 5 4.354 4.718 -7.708 1.00 0.30 C ATOM 14 O MET A 5 4.187 4.293 -6.569 1.00 0.29 O ATOM 15 CB MET A 5 6.821 5.052 -7.751 1.00 0.43 C ATOM 16 CG MET A 5 7.988 5.850 -8.300 1.00 1.01 C ATOM 17 SD MET A 5 8.007 5.901 -10.101 1.00 1.80 S ATOM 18 CE MET A 5 8.183 4.157 -10.479 1.00 1.60 C ATOM 0 H MET A 5 5.534 6.685 -6.148 1.00 0.39 H new ATOM 0 HA MET A 5 5.395 6.030 -9.033 1.00 0.37 H new ATOM 0 HB2 MET A 5 6.961 4.909 -6.679 1.00 0.43 H new ATOM 0 HB3 MET A 5 6.821 4.062 -8.207 1.00 0.43 H new ATOM 0 HG2 MET A 5 7.942 6.868 -7.912 1.00 1.01 H new ATOM 0 HG3 MET A 5 8.921 5.414 -7.943 1.00 1.01 H new ATOM 0 HE1 MET A 5 8.961 4.024 -11.231 1.00 1.60 H new ATOM 0 HE2 MET A 5 8.456 3.614 -9.574 1.00 1.60 H new ATOM 0 HE3 MET A 5 7.239 3.771 -10.862 1.00 1.60 H new ATOM 28 N PRO A 6 3.570 4.351 -8.733 1.00 0.30 N ATOM 29 CA PRO A 6 2.502 3.355 -8.601 1.00 0.28 C ATOM 30 C PRO A 6 2.978 2.133 -7.825 1.00 0.27 C ATOM 31 O PRO A 6 3.896 1.435 -8.256 1.00 0.30 O ATOM 32 CB PRO A 6 2.192 2.983 -10.051 1.00 0.32 C ATOM 33 CG PRO A 6 2.543 4.200 -10.839 1.00 0.47 C ATOM 34 CD PRO A 6 3.669 4.880 -10.104 1.00 0.36 C ATOM 0 HA PRO A 6 1.638 3.733 -8.055 1.00 0.28 H new ATOM 0 HB2 PRO A 6 2.777 2.121 -10.372 1.00 0.32 H new ATOM 0 HB3 PRO A 6 1.142 2.720 -10.176 1.00 0.32 H new ATOM 0 HG2 PRO A 6 2.847 3.932 -11.851 1.00 0.47 H new ATOM 0 HG3 PRO A 6 1.683 4.864 -10.930 1.00 0.47 H new ATOM 0 HD2 PRO A 6 4.635 4.649 -10.552 1.00 0.36 H new ATOM 0 HD3 PRO A 6 3.560 5.964 -10.122 1.00 0.36 H new ATOM 42 N MET A 7 2.350 1.875 -6.681 1.00 0.24 N ATOM 43 CA MET A 7 2.834 0.859 -5.761 1.00 0.24 C ATOM 44 C MET A 7 2.675 -0.533 -6.359 1.00 0.28 C ATOM 45 O MET A 7 3.469 -1.421 -6.085 1.00 0.32 O ATOM 46 CB MET A 7 2.099 0.946 -4.425 1.00 0.22 C ATOM 47 CG MET A 7 3.026 1.185 -3.245 1.00 0.31 C ATOM 48 SD MET A 7 4.154 -0.194 -2.961 1.00 0.62 S ATOM 49 CE MET A 7 4.871 0.265 -1.389 1.00 0.63 C ATOM 0 H MET A 7 1.506 2.357 -6.372 1.00 0.24 H new ATOM 0 HA MET A 7 3.894 1.041 -5.587 1.00 0.24 H new ATOM 0 HB2 MET A 7 1.367 1.752 -4.472 1.00 0.22 H new ATOM 0 HB3 MET A 7 1.545 0.022 -4.262 1.00 0.22 H new ATOM 0 HG2 MET A 7 3.604 2.093 -3.419 1.00 0.31 H new ATOM 0 HG3 MET A 7 2.430 1.354 -2.348 1.00 0.31 H new ATOM 0 HE1 MET A 7 5.928 0.001 -1.380 1.00 0.63 H new ATOM 0 HE2 MET A 7 4.764 1.340 -1.240 1.00 0.63 H new ATOM 0 HE3 MET A 7 4.358 -0.265 -0.586 1.00 0.63 H new ATOM 59 N ILE A 8 1.650 -0.718 -7.186 1.00 0.29 N ATOM 60 CA ILE A 8 1.469 -1.983 -7.894 1.00 0.33 C ATOM 61 C ILE A 8 2.634 -2.218 -8.852 1.00 0.36 C ATOM 62 O ILE A 8 3.159 -3.328 -8.951 1.00 0.39 O ATOM 63 CB ILE A 8 0.133 -2.020 -8.671 1.00 0.37 C ATOM 64 CG1 ILE A 8 -1.050 -1.960 -7.700 1.00 0.42 C ATOM 65 CG2 ILE A 8 0.036 -3.272 -9.536 1.00 0.47 C ATOM 66 CD1 ILE A 8 -1.170 -3.177 -6.804 1.00 0.51 C ATOM 0 H ILE A 8 0.937 -0.015 -7.382 1.00 0.29 H new ATOM 0 HA ILE A 8 1.443 -2.778 -7.148 1.00 0.33 H new ATOM 0 HB ILE A 8 0.101 -1.149 -9.325 1.00 0.37 H new ATOM 0 HG12 ILE A 8 -0.952 -1.071 -7.077 1.00 0.42 H new ATOM 0 HG13 ILE A 8 -1.972 -1.849 -8.271 1.00 0.42 H new ATOM 0 HG21 ILE A 8 -0.914 -3.272 -10.071 1.00 0.47 H new ATOM 0 HG22 ILE A 8 0.857 -3.283 -10.253 1.00 0.47 H new ATOM 0 HG23 ILE A 8 0.095 -4.157 -8.903 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -2.031 -3.060 -6.145 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -1.301 -4.069 -7.417 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -0.265 -3.278 -6.205 1.00 0.51 H new ATOM 78 N GLU A 9 3.044 -1.164 -9.548 1.00 0.38 N ATOM 79 CA GLU A 9 4.187 -1.250 -10.445 1.00 0.42 C ATOM 80 C GLU A 9 5.472 -1.431 -9.634 1.00 0.39 C ATOM 81 O GLU A 9 6.412 -2.083 -10.081 1.00 0.39 O ATOM 82 CB GLU A 9 4.279 -0.004 -11.328 1.00 0.50 C ATOM 83 CG GLU A 9 5.203 -0.180 -12.519 1.00 0.66 C ATOM 84 CD GLU A 9 5.278 1.055 -13.389 1.00 0.86 C ATOM 85 OE1 GLU A 9 4.287 1.359 -14.084 1.00 0.83 O ATOM 86 OE2 GLU A 9 6.328 1.733 -13.381 1.00 1.72 O ATOM 0 H GLU A 9 2.604 -0.245 -9.508 1.00 0.38 H new ATOM 0 HA GLU A 9 4.056 -2.114 -11.096 1.00 0.42 H new ATOM 0 HB2 GLU A 9 3.282 0.254 -11.685 1.00 0.50 H new ATOM 0 HB3 GLU A 9 4.629 0.835 -10.726 1.00 0.50 H new ATOM 0 HG2 GLU A 9 6.203 -0.430 -12.164 1.00 0.66 H new ATOM 0 HG3 GLU A 9 4.858 -1.022 -13.120 1.00 0.66 H new ATOM 93 N TYR A 10 5.494 -0.854 -8.433 1.00 0.41 N ATOM 94 CA TYR A 10 6.609 -1.035 -7.509 1.00 0.42 C ATOM 95 C TYR A 10 6.691 -2.498 -7.088 1.00 0.43 C ATOM 96 O TYR A 10 7.777 -3.072 -6.999 1.00 0.45 O ATOM 97 CB TYR A 10 6.436 -0.132 -6.280 1.00 0.43 C ATOM 98 CG TYR A 10 7.573 -0.214 -5.285 1.00 0.44 C ATOM 99 CD1 TYR A 10 8.699 0.591 -5.417 1.00 0.47 C ATOM 100 CD2 TYR A 10 7.520 -1.095 -4.213 1.00 0.43 C ATOM 101 CE1 TYR A 10 9.739 0.519 -4.511 1.00 0.50 C ATOM 102 CE2 TYR A 10 8.557 -1.175 -3.303 1.00 0.45 C ATOM 103 CZ TYR A 10 9.666 -0.362 -3.457 1.00 0.47 C ATOM 104 OH TYR A 10 10.695 -0.436 -2.546 1.00 0.51 O ATOM 0 H TYR A 10 4.748 -0.255 -8.078 1.00 0.41 H new ATOM 0 HA TYR A 10 7.537 -0.756 -8.009 1.00 0.42 H new ATOM 0 HB2 TYR A 10 6.334 0.901 -6.613 1.00 0.43 H new ATOM 0 HB3 TYR A 10 5.507 -0.398 -5.776 1.00 0.43 H new ATOM 0 HD1 TYR A 10 8.761 1.285 -6.242 1.00 0.47 H new ATOM 0 HD2 TYR A 10 6.654 -1.728 -4.088 1.00 0.43 H new ATOM 0 HE1 TYR A 10 10.606 1.152 -4.630 1.00 0.50 H new ATOM 0 HE2 TYR A 10 8.502 -1.868 -2.476 1.00 0.45 H new ATOM 0 HH TYR A 10 10.408 -0.961 -1.770 1.00 0.51 H new ATOM 114 N LEU A 11 5.528 -3.095 -6.857 1.00 0.43 N ATOM 115 CA LEU A 11 5.435 -4.516 -6.548 1.00 0.46 C ATOM 116 C LEU A 11 6.008 -5.328 -7.696 1.00 0.44 C ATOM 117 O LEU A 11 6.821 -6.225 -7.495 1.00 0.48 O ATOM 118 CB LEU A 11 3.969 -4.916 -6.338 1.00 0.50 C ATOM 119 CG LEU A 11 3.275 -4.302 -5.123 1.00 0.58 C ATOM 120 CD1 LEU A 11 1.777 -4.234 -5.348 1.00 0.66 C ATOM 121 CD2 LEU A 11 3.558 -5.118 -3.883 1.00 0.77 C ATOM 0 H LEU A 11 4.630 -2.612 -6.878 1.00 0.43 H new ATOM 0 HA LEU A 11 5.999 -4.713 -5.636 1.00 0.46 H new ATOM 0 HB2 LEU A 11 3.407 -4.641 -7.230 1.00 0.50 H new ATOM 0 HB3 LEU A 11 3.918 -6.001 -6.251 1.00 0.50 H new ATOM 0 HG LEU A 11 3.665 -3.293 -4.985 1.00 0.58 H new ATOM 0 HD11 LEU A 11 1.297 -3.794 -4.474 1.00 0.66 H new ATOM 0 HD12 LEU A 11 1.568 -3.620 -6.224 1.00 0.66 H new ATOM 0 HD13 LEU A 11 1.387 -5.239 -5.509 1.00 0.66 H new ATOM 0 HD21 LEU A 11 3.056 -4.666 -3.028 1.00 0.77 H new ATOM 0 HD22 LEU A 11 3.190 -6.134 -4.024 1.00 0.77 H new ATOM 0 HD23 LEU A 11 4.632 -5.143 -3.701 1.00 0.77 H new ATOM 133 N GLU A 12 5.592 -4.978 -8.899 1.00 0.40 N ATOM 134 CA GLU A 12 6.011 -5.678 -10.102 1.00 0.40 C ATOM 135 C GLU A 12 7.517 -5.532 -10.346 1.00 0.44 C ATOM 136 O GLU A 12 8.237 -6.526 -10.449 1.00 0.49 O ATOM 137 CB GLU A 12 5.215 -5.128 -11.290 1.00 0.40 C ATOM 138 CG GLU A 12 5.597 -5.730 -12.626 1.00 0.43 C ATOM 139 CD GLU A 12 4.682 -5.292 -13.747 1.00 0.47 C ATOM 140 OE1 GLU A 12 3.617 -5.913 -13.931 1.00 0.51 O ATOM 141 OE2 GLU A 12 5.033 -4.328 -14.460 1.00 0.59 O ATOM 0 H GLU A 12 4.954 -4.201 -9.071 1.00 0.40 H new ATOM 0 HA GLU A 12 5.812 -6.743 -9.980 1.00 0.40 H new ATOM 0 HB2 GLU A 12 4.154 -5.305 -11.115 1.00 0.40 H new ATOM 0 HB3 GLU A 12 5.355 -4.048 -11.338 1.00 0.40 H new ATOM 0 HG2 GLU A 12 6.622 -5.447 -12.868 1.00 0.43 H new ATOM 0 HG3 GLU A 12 5.576 -6.817 -12.549 1.00 0.43 H new ATOM 148 N ARG A 13 7.989 -4.292 -10.380 1.00 0.45 N ATOM 149 CA ARG A 13 9.372 -3.998 -10.749 1.00 0.52 C ATOM 150 C ARG A 13 10.356 -4.262 -9.609 1.00 0.58 C ATOM 151 O ARG A 13 11.386 -4.902 -9.809 1.00 0.62 O ATOM 152 CB ARG A 13 9.494 -2.541 -11.202 1.00 0.56 C ATOM 153 CG ARG A 13 8.835 -2.257 -12.541 1.00 0.54 C ATOM 154 CD ARG A 13 8.678 -0.763 -12.787 1.00 0.67 C ATOM 155 NE ARG A 13 9.945 -0.036 -12.685 1.00 1.25 N ATOM 156 CZ ARG A 13 10.053 1.291 -12.780 1.00 1.51 C ATOM 157 NH1 ARG A 13 8.981 2.040 -13.011 1.00 1.38 N ATOM 158 NH2 ARG A 13 11.239 1.869 -12.654 1.00 2.48 N ATOM 0 H ARG A 13 7.432 -3.468 -10.155 1.00 0.45 H new ATOM 0 HA ARG A 13 9.632 -4.671 -11.566 1.00 0.52 H new ATOM 0 HB2 ARG A 13 9.048 -1.896 -10.444 1.00 0.56 H new ATOM 0 HB3 ARG A 13 10.550 -2.277 -11.264 1.00 0.56 H new ATOM 0 HG2 ARG A 13 9.432 -2.696 -13.340 1.00 0.54 H new ATOM 0 HG3 ARG A 13 7.856 -2.736 -12.574 1.00 0.54 H new ATOM 0 HD2 ARG A 13 8.252 -0.605 -13.778 1.00 0.67 H new ATOM 0 HD3 ARG A 13 7.970 -0.353 -12.067 1.00 0.67 H new ATOM 0 HE ARG A 13 10.797 -0.576 -12.532 1.00 1.25 H new ATOM 0 HH11 ARG A 13 8.066 1.602 -13.117 1.00 1.38 H new ATOM 0 HH12 ARG A 13 9.073 3.053 -13.082 1.00 1.38 H new ATOM 0 HH21 ARG A 13 12.068 1.300 -12.485 1.00 2.48 H new ATOM 0 HH22 ARG A 13 11.322 2.883 -12.726 1.00 2.48 H new ATOM 172 N PHE A 14 10.047 -3.769 -8.420 1.00 0.60 N ATOM 173 CA PHE A 14 11.016 -3.790 -7.328 1.00 0.69 C ATOM 174 C PHE A 14 10.824 -4.972 -6.382 1.00 0.71 C ATOM 175 O PHE A 14 11.803 -5.579 -5.947 1.00 0.83 O ATOM 176 CB PHE A 14 10.955 -2.482 -6.535 1.00 0.72 C ATOM 177 CG PHE A 14 11.381 -1.272 -7.322 1.00 0.73 C ATOM 178 CD1 PHE A 14 10.488 -0.615 -8.151 1.00 0.64 C ATOM 179 CD2 PHE A 14 12.677 -0.790 -7.225 1.00 0.87 C ATOM 180 CE1 PHE A 14 10.877 0.500 -8.869 1.00 0.67 C ATOM 181 CE2 PHE A 14 13.073 0.324 -7.941 1.00 0.91 C ATOM 182 CZ PHE A 14 12.171 0.970 -8.764 1.00 0.81 C ATOM 0 H PHE A 14 9.146 -3.354 -8.185 1.00 0.60 H new ATOM 0 HA PHE A 14 11.997 -3.902 -7.789 1.00 0.69 H new ATOM 0 HB2 PHE A 14 9.936 -2.331 -6.179 1.00 0.72 H new ATOM 0 HB3 PHE A 14 11.590 -2.573 -5.654 1.00 0.72 H new ATOM 0 HD1 PHE A 14 9.475 -0.978 -8.238 1.00 0.64 H new ATOM 0 HD2 PHE A 14 13.386 -1.291 -6.582 1.00 0.87 H new ATOM 0 HE1 PHE A 14 10.170 1.003 -9.512 1.00 0.67 H new ATOM 0 HE2 PHE A 14 14.086 0.689 -7.857 1.00 0.91 H new ATOM 0 HZ PHE A 14 12.477 1.841 -9.324 1.00 0.81 H new ATOM 192 N SER A 15 9.580 -5.300 -6.054 1.00 0.63 N ATOM 193 CA SER A 15 9.325 -6.326 -5.047 1.00 0.67 C ATOM 194 C SER A 15 9.377 -7.730 -5.652 1.00 0.69 C ATOM 195 O SER A 15 9.938 -8.651 -5.055 1.00 0.78 O ATOM 196 CB SER A 15 7.960 -6.086 -4.400 1.00 0.65 C ATOM 197 OG SER A 15 7.842 -4.747 -3.948 1.00 1.36 O ATOM 0 H SER A 15 8.745 -4.880 -6.461 1.00 0.63 H new ATOM 0 HA SER A 15 10.107 -6.259 -4.290 1.00 0.67 H new ATOM 0 HB2 SER A 15 7.170 -6.302 -5.119 1.00 0.65 H new ATOM 0 HB3 SER A 15 7.825 -6.770 -3.562 1.00 0.65 H new ATOM 0 HG SER A 15 6.961 -4.616 -3.539 1.00 1.36 H new ATOM 203 N LEU A 16 8.800 -7.886 -6.834 1.00 0.63 N ATOM 204 CA LEU A 16 8.834 -9.158 -7.538 1.00 0.68 C ATOM 205 C LEU A 16 10.023 -9.221 -8.481 1.00 0.79 C ATOM 206 O LEU A 16 10.586 -10.291 -8.726 1.00 0.89 O ATOM 207 CB LEU A 16 7.540 -9.378 -8.324 1.00 0.62 C ATOM 208 CG LEU A 16 6.275 -9.540 -7.480 1.00 0.60 C ATOM 209 CD1 LEU A 16 5.065 -9.735 -8.379 1.00 1.24 C ATOM 210 CD2 LEU A 16 6.412 -10.714 -6.523 1.00 1.20 C ATOM 0 H LEU A 16 8.301 -7.145 -7.327 1.00 0.63 H new ATOM 0 HA LEU A 16 8.933 -9.948 -6.793 1.00 0.68 H new ATOM 0 HB2 LEU A 16 7.399 -8.535 -9.000 1.00 0.62 H new ATOM 0 HB3 LEU A 16 7.659 -10.267 -8.943 1.00 0.62 H new ATOM 0 HG LEU A 16 6.137 -8.632 -6.893 1.00 0.60 H new ATOM 0 HD11 LEU A 16 4.171 -9.849 -7.766 1.00 1.24 H new ATOM 0 HD12 LEU A 16 4.951 -8.867 -9.029 1.00 1.24 H new ATOM 0 HD13 LEU A 16 5.204 -10.629 -8.988 1.00 1.24 H new ATOM 0 HD21 LEU A 16 5.501 -10.811 -5.933 1.00 1.20 H new ATOM 0 HD22 LEU A 16 6.575 -11.630 -7.091 1.00 1.20 H new ATOM 0 HD23 LEU A 16 7.259 -10.544 -5.858 1.00 1.20 H new ATOM 222 N LYS A 17 10.385 -8.050 -9.008 1.00 0.83 N ATOM 223 CA LYS A 17 11.475 -7.912 -9.969 1.00 0.97 C ATOM 224 C LYS A 17 11.143 -8.624 -11.272 1.00 1.01 C ATOM 225 O LYS A 17 12.031 -9.044 -12.016 1.00 1.15 O ATOM 226 CB LYS A 17 12.785 -8.423 -9.383 1.00 1.10 C ATOM 227 CG LYS A 17 13.224 -7.632 -8.172 1.00 1.13 C ATOM 228 CD LYS A 17 14.663 -7.918 -7.810 1.00 1.17 C ATOM 229 CE LYS A 17 15.602 -7.591 -8.961 1.00 1.61 C ATOM 230 NZ LYS A 17 17.025 -7.718 -8.565 1.00 2.03 N ATOM 0 H LYS A 17 9.927 -7.168 -8.778 1.00 0.83 H new ATOM 0 HA LYS A 17 11.599 -6.852 -10.189 1.00 0.97 H new ATOM 0 HB2 LYS A 17 12.671 -9.471 -9.107 1.00 1.10 H new ATOM 0 HB3 LYS A 17 13.563 -8.377 -10.145 1.00 1.10 H new ATOM 0 HG2 LYS A 17 13.103 -6.567 -8.370 1.00 1.13 H new ATOM 0 HG3 LYS A 17 12.581 -7.874 -7.326 1.00 1.13 H new ATOM 0 HD2 LYS A 17 14.942 -7.333 -6.934 1.00 1.17 H new ATOM 0 HD3 LYS A 17 14.769 -8.968 -7.539 1.00 1.17 H new ATOM 0 HE2 LYS A 17 15.397 -8.258 -9.798 1.00 1.61 H new ATOM 0 HE3 LYS A 17 15.411 -6.576 -9.309 1.00 1.61 H new ATOM 0 HZ1 LYS A 17 17.633 -7.487 -9.376 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 17.228 -7.063 -7.783 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 17.214 -8.693 -8.257 1.00 2.03 H new ATOM 244 N ALA A 18 9.852 -8.728 -11.549 1.00 0.95 N ATOM 245 CA ALA A 18 9.359 -9.428 -12.722 1.00 1.03 C ATOM 246 C ALA A 18 8.061 -8.783 -13.196 1.00 1.02 C ATOM 247 O ALA A 18 7.987 -7.565 -13.318 1.00 1.34 O ATOM 248 CB ALA A 18 9.155 -10.905 -12.405 1.00 1.06 C ATOM 0 H ALA A 18 9.117 -8.328 -10.965 1.00 0.95 H new ATOM 0 HA ALA A 18 10.094 -9.355 -13.524 1.00 1.03 H new ATOM 0 HB1 ALA A 18 8.785 -11.420 -13.292 1.00 1.06 H new ATOM 0 HB2 ALA A 18 10.104 -11.346 -12.099 1.00 1.06 H new ATOM 0 HB3 ALA A 18 8.430 -11.007 -11.597 1.00 1.06 H new ATOM 254 N LYS A 19 7.050 -9.592 -13.465 1.00 0.80 N ATOM 255 CA LYS A 19 5.748 -9.082 -13.856 1.00 0.77 C ATOM 256 C LYS A 19 4.710 -9.358 -12.771 1.00 0.64 C ATOM 257 O LYS A 19 4.784 -10.369 -12.073 1.00 0.74 O ATOM 258 CB LYS A 19 5.320 -9.716 -15.176 1.00 0.93 C ATOM 259 CG LYS A 19 6.205 -9.312 -16.341 1.00 1.52 C ATOM 260 CD LYS A 19 5.809 -10.012 -17.628 1.00 1.71 C ATOM 261 CE LYS A 19 6.641 -9.509 -18.797 1.00 1.93 C ATOM 262 NZ LYS A 19 6.378 -8.075 -19.083 1.00 2.69 N ATOM 0 H LYS A 19 7.107 -10.609 -13.419 1.00 0.80 H new ATOM 0 HA LYS A 19 5.821 -8.002 -13.987 1.00 0.77 H new ATOM 0 HB2 LYS A 19 5.336 -10.801 -15.074 1.00 0.93 H new ATOM 0 HB3 LYS A 19 4.290 -9.431 -15.393 1.00 0.93 H new ATOM 0 HG2 LYS A 19 6.147 -8.233 -16.483 1.00 1.52 H new ATOM 0 HG3 LYS A 19 7.243 -9.547 -16.106 1.00 1.52 H new ATOM 0 HD2 LYS A 19 5.943 -11.088 -17.517 1.00 1.71 H new ATOM 0 HD3 LYS A 19 4.751 -9.841 -17.829 1.00 1.71 H new ATOM 0 HE2 LYS A 19 7.699 -9.648 -18.576 1.00 1.93 H new ATOM 0 HE3 LYS A 19 6.419 -10.103 -19.683 1.00 1.93 H new ATOM 0 HZ1 LYS A 19 6.726 -7.841 -20.035 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 5.355 -7.893 -19.034 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 6.869 -7.485 -18.381 1.00 2.69 H new ATOM 276 N ILE A 20 3.759 -8.443 -12.625 1.00 0.57 N ATOM 277 CA ILE A 20 2.686 -8.583 -11.650 1.00 0.52 C ATOM 278 C ILE A 20 1.371 -8.856 -12.392 1.00 0.54 C ATOM 279 O ILE A 20 1.145 -8.314 -13.480 1.00 0.64 O ATOM 280 CB ILE A 20 2.580 -7.294 -10.775 1.00 0.56 C ATOM 281 CG1 ILE A 20 2.414 -7.626 -9.288 1.00 0.46 C ATOM 282 CG2 ILE A 20 1.448 -6.383 -11.235 1.00 0.92 C ATOM 283 CD1 ILE A 20 1.132 -8.354 -8.943 1.00 0.72 C ATOM 0 H ILE A 20 3.710 -7.587 -13.177 1.00 0.57 H new ATOM 0 HA ILE A 20 2.898 -9.419 -10.984 1.00 0.52 H new ATOM 0 HB ILE A 20 3.521 -6.760 -10.905 1.00 0.56 H new ATOM 0 HG12 ILE A 20 3.259 -8.236 -8.969 1.00 0.46 H new ATOM 0 HG13 ILE A 20 2.455 -6.699 -8.716 1.00 0.46 H new ATOM 0 HG21 ILE A 20 1.411 -5.499 -10.598 1.00 0.92 H new ATOM 0 HG22 ILE A 20 1.622 -6.080 -12.267 1.00 0.92 H new ATOM 0 HG23 ILE A 20 0.501 -6.918 -11.168 1.00 0.92 H new ATOM 0 HD11 ILE A 20 1.101 -8.547 -7.871 1.00 0.72 H new ATOM 0 HD12 ILE A 20 0.277 -7.740 -9.226 1.00 0.72 H new ATOM 0 HD13 ILE A 20 1.094 -9.300 -9.483 1.00 0.72 H new ATOM 295 N ASN A 21 0.525 -9.719 -11.840 1.00 0.58 N ATOM 296 CA ASN A 21 -0.760 -10.011 -12.461 1.00 0.72 C ATOM 297 C ASN A 21 -1.647 -10.835 -11.529 1.00 0.78 C ATOM 298 O ASN A 21 -1.396 -10.915 -10.325 1.00 0.77 O ATOM 299 CB ASN A 21 -0.556 -10.762 -13.779 1.00 0.80 C ATOM 300 CG ASN A 21 -1.660 -10.483 -14.782 1.00 1.21 C ATOM 301 OD1 ASN A 21 -2.668 -11.188 -14.828 1.00 1.78 O ATOM 302 ND2 ASN A 21 -1.480 -9.446 -15.586 1.00 1.71 N ATOM 0 H ASN A 21 0.704 -10.224 -10.972 1.00 0.58 H new ATOM 0 HA ASN A 21 -1.257 -9.062 -12.661 1.00 0.72 H new ATOM 0 HB2 ASN A 21 0.404 -10.478 -14.211 1.00 0.80 H new ATOM 0 HB3 ASN A 21 -0.512 -11.833 -13.580 1.00 0.80 H new ATOM 0 HD21 ASN A 21 -2.192 -9.206 -16.276 1.00 1.71 H new ATOM 0 HD22 ASN A 21 -0.630 -8.887 -15.515 1.00 1.71 H new ATOM 309 N ASN A 22 -2.675 -11.452 -12.094 1.00 0.97 N ATOM 310 CA ASN A 22 -3.637 -12.241 -11.332 1.00 1.09 C ATOM 311 C ASN A 22 -3.008 -13.521 -10.799 1.00 1.03 C ATOM 312 O ASN A 22 -3.279 -13.939 -9.674 1.00 1.07 O ATOM 313 CB ASN A 22 -4.835 -12.601 -12.215 1.00 1.41 C ATOM 314 CG ASN A 22 -5.662 -11.395 -12.609 1.00 1.73 C ATOM 315 OD1 ASN A 22 -6.653 -11.065 -11.957 1.00 2.31 O ATOM 316 ND2 ASN A 22 -5.264 -10.724 -13.678 1.00 2.35 N ATOM 0 H ASN A 22 -2.867 -11.421 -13.095 1.00 0.97 H new ATOM 0 HA ASN A 22 -3.965 -11.637 -10.486 1.00 1.09 H new ATOM 0 HB2 ASN A 22 -4.479 -13.100 -13.116 1.00 1.41 H new ATOM 0 HB3 ASN A 22 -5.469 -13.312 -11.686 1.00 1.41 H new ATOM 0 HD21 ASN A 22 -5.784 -9.903 -13.987 1.00 2.35 H new ATOM 0 HD22 ASN A 22 -4.438 -11.028 -14.193 1.00 2.35 H new ATOM 323 N THR A 23 -2.165 -14.139 -11.613 1.00 1.00 N ATOM 324 CA THR A 23 -1.607 -15.442 -11.288 1.00 1.05 C ATOM 325 C THR A 23 -0.167 -15.349 -10.787 1.00 1.02 C ATOM 326 O THR A 23 0.552 -16.349 -10.765 1.00 1.21 O ATOM 327 CB THR A 23 -1.657 -16.369 -12.515 1.00 1.19 C ATOM 328 OG1 THR A 23 -1.157 -15.678 -13.666 1.00 1.51 O ATOM 329 CG2 THR A 23 -3.078 -16.843 -12.779 1.00 1.79 C ATOM 0 H THR A 23 -1.852 -13.757 -12.506 1.00 1.00 H new ATOM 0 HA THR A 23 -2.218 -15.853 -10.484 1.00 1.05 H new ATOM 0 HB THR A 23 -1.034 -17.240 -12.313 1.00 1.19 H new ATOM 0 HG1 THR A 23 -1.189 -16.273 -14.444 1.00 1.51 H new ATOM 0 HG21 THR A 23 -3.087 -17.497 -13.651 1.00 1.79 H new ATOM 0 HG22 THR A 23 -3.446 -17.390 -11.911 1.00 1.79 H new ATOM 0 HG23 THR A 23 -3.720 -15.982 -12.964 1.00 1.79 H new ATOM 337 N THR A 24 0.260 -14.161 -10.378 1.00 0.87 N ATOM 338 CA THR A 24 1.617 -13.981 -9.883 1.00 0.91 C ATOM 339 C THR A 24 1.641 -13.968 -8.361 1.00 0.98 C ATOM 340 O THR A 24 2.210 -13.060 -7.748 1.00 1.91 O ATOM 341 CB THR A 24 2.241 -12.684 -10.420 1.00 0.88 C ATOM 342 OG1 THR A 24 1.444 -11.559 -10.034 1.00 1.37 O ATOM 343 CG2 THR A 24 2.361 -12.735 -11.934 1.00 1.74 C ATOM 0 H THR A 24 -0.309 -13.315 -10.379 1.00 0.87 H new ATOM 0 HA THR A 24 2.207 -14.824 -10.242 1.00 0.91 H new ATOM 0 HB THR A 24 3.239 -12.580 -9.994 1.00 0.88 H new ATOM 0 HG1 THR A 24 1.467 -11.461 -9.059 1.00 1.37 H new ATOM 0 HG21 THR A 24 2.805 -11.807 -12.295 1.00 1.74 H new ATOM 0 HG22 THR A 24 2.993 -13.576 -12.221 1.00 1.74 H new ATOM 0 HG23 THR A 24 1.371 -12.859 -12.373 1.00 1.74 H new ATOM 351 N ASN A 25 0.999 -14.984 -7.771 1.00 0.72 N ATOM 352 CA ASN A 25 0.903 -15.160 -6.318 1.00 0.79 C ATOM 353 C ASN A 25 0.672 -13.837 -5.586 1.00 0.73 C ATOM 354 O ASN A 25 1.431 -13.461 -4.687 1.00 0.72 O ATOM 355 CB ASN A 25 2.127 -15.912 -5.748 1.00 1.00 C ATOM 356 CG ASN A 25 3.474 -15.337 -6.165 1.00 1.96 C ATOM 357 OD1 ASN A 25 4.048 -15.746 -7.173 1.00 2.69 O ATOM 358 ND2 ASN A 25 3.987 -14.392 -5.394 1.00 2.58 N ATOM 0 H ASN A 25 0.525 -15.717 -8.298 1.00 0.72 H new ATOM 0 HA ASN A 25 0.024 -15.780 -6.140 1.00 0.79 H new ATOM 0 HB2 ASN A 25 2.066 -15.907 -4.660 1.00 1.00 H new ATOM 0 HB3 ASN A 25 2.077 -16.954 -6.065 1.00 1.00 H new ATOM 0 HD21 ASN A 25 4.889 -13.977 -5.628 1.00 2.58 H new ATOM 0 HD22 ASN A 25 3.481 -14.079 -4.566 1.00 2.58 H new ATOM 365 N LEU A 26 -0.415 -13.160 -5.955 1.00 0.82 N ATOM 366 CA LEU A 26 -0.741 -11.845 -5.408 1.00 0.88 C ATOM 367 C LEU A 26 -0.938 -11.883 -3.893 1.00 0.83 C ATOM 368 O LEU A 26 -0.763 -10.862 -3.215 1.00 0.86 O ATOM 369 CB LEU A 26 -1.975 -11.247 -6.110 1.00 1.08 C ATOM 370 CG LEU A 26 -3.132 -12.211 -6.407 1.00 1.91 C ATOM 371 CD1 LEU A 26 -3.930 -12.525 -5.148 1.00 2.89 C ATOM 372 CD2 LEU A 26 -4.040 -11.631 -7.479 1.00 2.33 C ATOM 0 H LEU A 26 -1.090 -13.506 -6.637 1.00 0.82 H new ATOM 0 HA LEU A 26 0.113 -11.196 -5.603 1.00 0.88 H new ATOM 0 HB2 LEU A 26 -2.358 -10.435 -5.492 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -1.650 -10.805 -7.052 1.00 1.08 H new ATOM 0 HG LEU A 26 -2.705 -13.145 -6.773 1.00 1.91 H new ATOM 0 HD11 LEU A 26 -4.742 -13.210 -5.393 1.00 2.89 H new ATOM 0 HD12 LEU A 26 -3.276 -12.987 -4.408 1.00 2.89 H new ATOM 0 HD13 LEU A 26 -4.344 -11.603 -4.740 1.00 2.89 H new ATOM 0 HD21 LEU A 26 -4.856 -12.325 -7.679 1.00 2.33 H new ATOM 0 HD22 LEU A 26 -4.448 -10.681 -7.135 1.00 2.33 H new ATOM 0 HD23 LEU A 26 -3.468 -11.470 -8.393 1.00 2.33 H new ATOM 384 N ASP A 27 -1.304 -13.052 -3.370 1.00 0.81 N ATOM 385 CA ASP A 27 -1.399 -13.252 -1.925 1.00 0.84 C ATOM 386 C ASP A 27 -0.022 -13.133 -1.298 1.00 0.70 C ATOM 387 O ASP A 27 0.195 -12.378 -0.352 1.00 0.67 O ATOM 388 CB ASP A 27 -1.944 -14.648 -1.591 1.00 1.02 C ATOM 389 CG ASP A 27 -3.417 -14.831 -1.885 1.00 1.52 C ATOM 390 OD1 ASP A 27 -3.772 -14.994 -3.069 1.00 2.28 O ATOM 391 OD2 ASP A 27 -4.231 -14.738 -0.939 1.00 2.00 O ATOM 0 H ASP A 27 -1.540 -13.875 -3.925 1.00 0.81 H new ATOM 0 HA ASP A 27 -2.075 -12.492 -1.533 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -1.379 -15.390 -2.155 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -1.769 -14.850 -0.534 1.00 1.02 H new ATOM 396 N TYR A 28 0.912 -13.874 -1.868 1.00 0.69 N ATOM 397 CA TYR A 28 2.238 -14.012 -1.300 1.00 0.70 C ATOM 398 C TYR A 28 3.025 -12.719 -1.396 1.00 0.63 C ATOM 399 O TYR A 28 3.873 -12.449 -0.550 1.00 0.68 O ATOM 400 CB TYR A 28 2.980 -15.164 -1.977 1.00 0.81 C ATOM 401 CG TYR A 28 2.346 -16.503 -1.683 1.00 1.05 C ATOM 402 CD1 TYR A 28 2.667 -17.195 -0.527 1.00 1.16 C ATOM 403 CD2 TYR A 28 1.408 -17.062 -2.545 1.00 1.57 C ATOM 404 CE1 TYR A 28 2.073 -18.404 -0.232 1.00 1.61 C ATOM 405 CE2 TYR A 28 0.812 -18.275 -2.258 1.00 2.15 C ATOM 406 CZ TYR A 28 1.149 -18.940 -1.099 1.00 2.13 C ATOM 407 OH TYR A 28 0.552 -20.142 -0.798 1.00 2.73 O ATOM 0 H TYR A 28 0.772 -14.394 -2.734 1.00 0.69 H new ATOM 0 HA TYR A 28 2.133 -14.241 -0.240 1.00 0.70 H new ATOM 0 HB2 TYR A 28 2.996 -15.000 -3.055 1.00 0.81 H new ATOM 0 HB3 TYR A 28 4.017 -15.173 -1.641 1.00 0.81 H new ATOM 0 HD1 TYR A 28 3.395 -16.781 0.155 1.00 1.16 H new ATOM 0 HD2 TYR A 28 1.142 -16.540 -3.452 1.00 1.57 H new ATOM 0 HE1 TYR A 28 2.332 -18.928 0.676 1.00 1.61 H new ATOM 0 HE2 TYR A 28 0.087 -18.699 -2.937 1.00 2.15 H new ATOM 0 HH TYR A 28 -0.077 -20.382 -1.510 1.00 2.73 H new ATOM 417 N SER A 29 2.744 -11.913 -2.416 1.00 0.59 N ATOM 418 CA SER A 29 3.373 -10.609 -2.519 1.00 0.62 C ATOM 419 C SER A 29 2.947 -9.750 -1.341 1.00 0.51 C ATOM 420 O SER A 29 3.772 -9.316 -0.553 1.00 0.53 O ATOM 421 CB SER A 29 2.984 -9.907 -3.816 1.00 0.73 C ATOM 422 OG SER A 29 2.821 -10.837 -4.874 1.00 0.81 O ATOM 0 H SER A 29 2.095 -12.139 -3.170 1.00 0.59 H new ATOM 0 HA SER A 29 4.454 -10.751 -2.515 1.00 0.62 H new ATOM 0 HB2 SER A 29 2.057 -9.353 -3.669 1.00 0.73 H new ATOM 0 HB3 SER A 29 3.751 -9.179 -4.083 1.00 0.73 H new ATOM 0 HG SER A 29 2.570 -10.360 -5.693 1.00 0.81 H new ATOM 428 N ARG A 30 1.639 -9.552 -1.209 1.00 0.48 N ATOM 429 CA ARG A 30 1.094 -8.681 -0.173 1.00 0.45 C ATOM 430 C ARG A 30 1.464 -9.179 1.224 1.00 0.46 C ATOM 431 O ARG A 30 1.897 -8.403 2.065 1.00 0.56 O ATOM 432 CB ARG A 30 -0.428 -8.566 -0.315 1.00 0.52 C ATOM 433 CG ARG A 30 -0.911 -7.250 -0.926 1.00 0.49 C ATOM 434 CD ARG A 30 -0.258 -6.962 -2.269 1.00 0.76 C ATOM 435 NE ARG A 30 -0.780 -7.826 -3.328 1.00 1.55 N ATOM 436 CZ ARG A 30 -1.120 -7.387 -4.542 1.00 2.24 C ATOM 437 NH1 ARG A 30 -0.974 -6.104 -4.852 1.00 2.43 N ATOM 438 NH2 ARG A 30 -1.605 -8.230 -5.442 1.00 3.24 N ATOM 0 H ARG A 30 0.935 -9.984 -1.808 1.00 0.48 H new ATOM 0 HA ARG A 30 1.534 -7.692 -0.303 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -0.786 -9.391 -0.931 1.00 0.52 H new ATOM 0 HB3 ARG A 30 -0.882 -8.683 0.669 1.00 0.52 H new ATOM 0 HG2 ARG A 30 -1.993 -7.286 -1.051 1.00 0.49 H new ATOM 0 HG3 ARG A 30 -0.697 -6.432 -0.238 1.00 0.49 H new ATOM 0 HD2 ARG A 30 -0.425 -5.919 -2.537 1.00 0.76 H new ATOM 0 HD3 ARG A 30 0.820 -7.101 -2.186 1.00 0.76 H new ATOM 0 HE ARG A 30 -0.890 -8.820 -3.127 1.00 1.55 H new ATOM 0 HH11 ARG A 30 -0.601 -5.452 -4.162 1.00 2.43 H new ATOM 0 HH12 ARG A 30 -1.234 -5.771 -5.780 1.00 2.43 H new ATOM 0 HH21 ARG A 30 -1.719 -9.216 -5.208 1.00 3.24 H new ATOM 0 HH22 ARG A 30 -1.864 -7.893 -6.369 1.00 3.24 H new ATOM 452 N ARG A 31 1.327 -10.478 1.454 1.00 0.45 N ATOM 453 CA ARG A 31 1.595 -11.047 2.772 1.00 0.47 C ATOM 454 C ARG A 31 3.074 -10.896 3.154 1.00 0.45 C ATOM 455 O ARG A 31 3.397 -10.600 4.303 1.00 0.50 O ATOM 456 CB ARG A 31 1.171 -12.519 2.812 1.00 0.53 C ATOM 457 CG ARG A 31 1.035 -13.070 4.224 1.00 1.14 C ATOM 458 CD ARG A 31 0.352 -14.429 4.236 1.00 1.21 C ATOM 459 NE ARG A 31 1.208 -15.495 3.715 1.00 1.89 N ATOM 460 CZ ARG A 31 0.748 -16.621 3.168 1.00 2.16 C ATOM 461 NH1 ARG A 31 -0.553 -16.771 2.933 1.00 1.87 N ATOM 462 NH2 ARG A 31 1.592 -17.588 2.829 1.00 3.18 N ATOM 0 H ARG A 31 1.034 -11.156 0.751 1.00 0.45 H new ATOM 0 HA ARG A 31 1.007 -10.495 3.505 1.00 0.47 H new ATOM 0 HB2 ARG A 31 0.219 -12.629 2.293 1.00 0.53 H new ATOM 0 HB3 ARG A 31 1.902 -13.115 2.266 1.00 0.53 H new ATOM 0 HG2 ARG A 31 2.022 -13.155 4.678 1.00 1.14 H new ATOM 0 HG3 ARG A 31 0.463 -12.370 4.834 1.00 1.14 H new ATOM 0 HD2 ARG A 31 0.055 -14.673 5.256 1.00 1.21 H new ATOM 0 HD3 ARG A 31 -0.560 -14.378 3.642 1.00 1.21 H new ATOM 0 HE ARG A 31 2.219 -15.369 3.774 1.00 1.89 H new ATOM 0 HH11 ARG A 31 -1.204 -16.023 3.171 1.00 1.87 H new ATOM 0 HH12 ARG A 31 -0.899 -17.634 2.514 1.00 1.87 H new ATOM 0 HH21 ARG A 31 2.593 -17.470 2.987 1.00 3.18 H new ATOM 0 HH22 ARG A 31 1.240 -18.449 2.411 1.00 3.18 H new ATOM 476 N PHE A 32 3.966 -11.073 2.186 1.00 0.45 N ATOM 477 CA PHE A 32 5.400 -10.944 2.434 1.00 0.53 C ATOM 478 C PHE A 32 5.828 -9.471 2.385 1.00 0.53 C ATOM 479 O PHE A 32 6.863 -9.088 2.929 1.00 0.57 O ATOM 480 CB PHE A 32 6.175 -11.821 1.430 1.00 0.66 C ATOM 481 CG PHE A 32 7.306 -11.142 0.703 1.00 0.57 C ATOM 482 CD1 PHE A 32 8.561 -11.056 1.286 1.00 0.66 C ATOM 483 CD2 PHE A 32 7.109 -10.574 -0.546 1.00 0.88 C ATOM 484 CE1 PHE A 32 9.598 -10.422 0.636 1.00 0.93 C ATOM 485 CE2 PHE A 32 8.146 -9.941 -1.202 1.00 1.10 C ATOM 486 CZ PHE A 32 9.390 -9.916 -0.663 1.00 1.08 C ATOM 0 H PHE A 32 3.724 -11.306 1.223 1.00 0.45 H new ATOM 0 HA PHE A 32 5.635 -11.300 3.437 1.00 0.53 H new ATOM 0 HB2 PHE A 32 6.576 -12.683 1.963 1.00 0.66 H new ATOM 0 HB3 PHE A 32 5.471 -12.203 0.691 1.00 0.66 H new ATOM 0 HD1 PHE A 32 8.728 -11.491 2.260 1.00 0.66 H new ATOM 0 HD2 PHE A 32 6.135 -10.627 -1.010 1.00 0.88 H new ATOM 0 HE1 PHE A 32 10.559 -10.314 1.117 1.00 0.93 H new ATOM 0 HE2 PHE A 32 7.965 -9.462 -2.153 1.00 1.10 H new ATOM 0 HZ PHE A 32 10.217 -9.510 -1.226 1.00 1.08 H new ATOM 496 N LEU A 33 4.994 -8.652 1.762 1.00 0.51 N ATOM 497 CA LEU A 33 5.228 -7.213 1.671 1.00 0.53 C ATOM 498 C LEU A 33 4.877 -6.516 2.989 1.00 0.45 C ATOM 499 O LEU A 33 5.224 -5.353 3.197 1.00 0.44 O ATOM 500 CB LEU A 33 4.405 -6.614 0.517 1.00 0.60 C ATOM 501 CG LEU A 33 5.205 -6.140 -0.704 1.00 0.93 C ATOM 502 CD1 LEU A 33 6.189 -5.053 -0.319 1.00 0.92 C ATOM 503 CD2 LEU A 33 5.931 -7.301 -1.363 1.00 1.70 C ATOM 0 H LEU A 33 4.137 -8.962 1.305 1.00 0.51 H new ATOM 0 HA LEU A 33 6.288 -7.052 1.473 1.00 0.53 H new ATOM 0 HB2 LEU A 33 3.683 -7.361 0.186 1.00 0.60 H new ATOM 0 HB3 LEU A 33 3.835 -5.769 0.904 1.00 0.60 H new ATOM 0 HG LEU A 33 4.498 -5.725 -1.423 1.00 0.93 H new ATOM 0 HD11 LEU A 33 6.743 -4.735 -1.202 1.00 0.92 H new ATOM 0 HD12 LEU A 33 5.648 -4.203 0.096 1.00 0.92 H new ATOM 0 HD13 LEU A 33 6.884 -5.439 0.426 1.00 0.92 H new ATOM 0 HD21 LEU A 33 6.490 -6.938 -2.225 1.00 1.70 H new ATOM 0 HD22 LEU A 33 6.619 -7.753 -0.648 1.00 1.70 H new ATOM 0 HD23 LEU A 33 5.205 -8.046 -1.689 1.00 1.70 H new ATOM 515 N GLU A 34 4.214 -7.245 3.884 1.00 0.39 N ATOM 516 CA GLU A 34 3.715 -6.676 5.138 1.00 0.35 C ATOM 517 C GLU A 34 4.845 -6.093 6.005 1.00 0.35 C ATOM 518 O GLU A 34 4.795 -4.914 6.368 1.00 0.30 O ATOM 519 CB GLU A 34 2.934 -7.728 5.931 1.00 0.39 C ATOM 520 CG GLU A 34 2.449 -7.233 7.284 1.00 0.43 C ATOM 521 CD GLU A 34 1.879 -8.346 8.130 1.00 0.78 C ATOM 522 OE1 GLU A 34 2.666 -9.092 8.747 1.00 1.26 O ATOM 523 OE2 GLU A 34 0.642 -8.488 8.178 1.00 1.17 O ATOM 0 H GLU A 34 4.008 -8.237 3.765 1.00 0.39 H new ATOM 0 HA GLU A 34 3.049 -5.855 4.873 1.00 0.35 H new ATOM 0 HB2 GLU A 34 2.075 -8.051 5.342 1.00 0.39 H new ATOM 0 HB3 GLU A 34 3.567 -8.603 6.079 1.00 0.39 H new ATOM 0 HG2 GLU A 34 3.277 -6.764 7.815 1.00 0.43 H new ATOM 0 HG3 GLU A 34 1.689 -6.466 7.137 1.00 0.43 H new ATOM 530 N PRO A 35 5.888 -6.886 6.351 1.00 0.43 N ATOM 531 CA PRO A 35 6.990 -6.397 7.190 1.00 0.48 C ATOM 532 C PRO A 35 7.766 -5.266 6.523 1.00 0.45 C ATOM 533 O PRO A 35 8.432 -4.473 7.191 1.00 0.47 O ATOM 534 CB PRO A 35 7.887 -7.625 7.377 1.00 0.63 C ATOM 535 CG PRO A 35 7.536 -8.537 6.254 1.00 0.79 C ATOM 536 CD PRO A 35 6.081 -8.302 5.975 1.00 0.50 C ATOM 0 HA PRO A 35 6.626 -5.981 8.129 1.00 0.48 H new ATOM 0 HB2 PRO A 35 8.942 -7.351 7.347 1.00 0.63 H new ATOM 0 HB3 PRO A 35 7.708 -8.100 8.341 1.00 0.63 H new ATOM 0 HG2 PRO A 35 8.142 -8.324 5.373 1.00 0.79 H new ATOM 0 HG3 PRO A 35 7.719 -9.577 6.523 1.00 0.79 H new ATOM 0 HD2 PRO A 35 5.839 -8.477 4.927 1.00 0.50 H new ATOM 0 HD3 PRO A 35 5.446 -8.965 6.563 1.00 0.50 H new ATOM 544 N PHE A 36 7.663 -5.194 5.204 1.00 0.44 N ATOM 545 CA PHE A 36 8.345 -4.167 4.434 1.00 0.49 C ATOM 546 C PHE A 36 7.592 -2.846 4.526 1.00 0.39 C ATOM 547 O PHE A 36 8.193 -1.773 4.553 1.00 0.43 O ATOM 548 CB PHE A 36 8.474 -4.610 2.972 1.00 0.62 C ATOM 549 CG PHE A 36 9.268 -3.668 2.108 1.00 0.66 C ATOM 550 CD1 PHE A 36 10.652 -3.658 2.156 1.00 0.79 C ATOM 551 CD2 PHE A 36 8.627 -2.793 1.244 1.00 1.36 C ATOM 552 CE1 PHE A 36 11.381 -2.796 1.360 1.00 1.21 C ATOM 553 CE2 PHE A 36 9.351 -1.928 0.445 1.00 2.02 C ATOM 554 CZ PHE A 36 10.731 -1.930 0.504 1.00 1.87 C ATOM 0 H PHE A 36 7.109 -5.840 4.642 1.00 0.44 H new ATOM 0 HA PHE A 36 9.343 -4.021 4.847 1.00 0.49 H new ATOM 0 HB2 PHE A 36 8.942 -5.594 2.943 1.00 0.62 H new ATOM 0 HB3 PHE A 36 7.476 -4.719 2.548 1.00 0.62 H new ATOM 0 HD1 PHE A 36 11.168 -4.332 2.824 1.00 0.79 H new ATOM 0 HD2 PHE A 36 7.548 -2.787 1.195 1.00 1.36 H new ATOM 0 HE1 PHE A 36 12.460 -2.800 1.407 1.00 1.21 H new ATOM 0 HE2 PHE A 36 8.839 -1.252 -0.224 1.00 2.02 H new ATOM 0 HZ PHE A 36 11.300 -1.255 -0.118 1.00 1.87 H new ATOM 564 N LEU A 37 6.274 -2.944 4.600 1.00 0.30 N ATOM 565 CA LEU A 37 5.406 -1.776 4.589 1.00 0.29 C ATOM 566 C LEU A 37 5.273 -1.151 5.971 1.00 0.24 C ATOM 567 O LEU A 37 4.968 0.033 6.084 1.00 0.27 O ATOM 568 CB LEU A 37 4.029 -2.170 4.059 1.00 0.31 C ATOM 569 CG LEU A 37 3.842 -2.065 2.539 1.00 0.57 C ATOM 570 CD1 LEU A 37 5.130 -2.375 1.787 1.00 0.90 C ATOM 571 CD2 LEU A 37 2.751 -3.014 2.094 1.00 1.18 C ATOM 0 H LEU A 37 5.777 -3.832 4.669 1.00 0.30 H new ATOM 0 HA LEU A 37 5.857 -1.029 3.936 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.825 -3.197 4.361 1.00 0.31 H new ATOM 0 HB3 LEU A 37 3.281 -1.541 4.542 1.00 0.31 H new ATOM 0 HG LEU A 37 3.561 -1.038 2.308 1.00 0.57 H new ATOM 0 HD11 LEU A 37 4.955 -2.290 0.715 1.00 0.90 H new ATOM 0 HD12 LEU A 37 5.905 -1.669 2.085 1.00 0.90 H new ATOM 0 HD13 LEU A 37 5.454 -3.389 2.022 1.00 0.90 H new ATOM 0 HD21 LEU A 37 2.620 -2.938 1.015 1.00 1.18 H new ATOM 0 HD22 LEU A 37 3.029 -4.035 2.354 1.00 1.18 H new ATOM 0 HD23 LEU A 37 1.817 -2.754 2.592 1.00 1.18 H new ATOM 583 N ARG A 38 5.481 -1.947 7.017 1.00 0.24 N ATOM 584 CA ARG A 38 5.394 -1.455 8.394 1.00 0.31 C ATOM 585 C ARG A 38 6.249 -0.205 8.603 1.00 0.30 C ATOM 586 O ARG A 38 7.473 -0.287 8.726 1.00 0.41 O ATOM 587 CB ARG A 38 5.832 -2.546 9.376 1.00 0.44 C ATOM 588 CG ARG A 38 5.796 -2.106 10.831 1.00 0.82 C ATOM 589 CD ARG A 38 6.373 -3.168 11.750 1.00 1.06 C ATOM 590 NE ARG A 38 6.406 -2.722 13.141 1.00 2.16 N ATOM 591 CZ ARG A 38 7.161 -3.284 14.085 1.00 2.73 C ATOM 592 NH1 ARG A 38 7.965 -4.294 13.778 1.00 2.36 N ATOM 593 NH2 ARG A 38 7.125 -2.823 15.332 1.00 3.90 N ATOM 0 H ARG A 38 5.712 -2.938 6.939 1.00 0.24 H new ATOM 0 HA ARG A 38 4.353 -1.190 8.581 1.00 0.31 H new ATOM 0 HB2 ARG A 38 5.186 -3.415 9.252 1.00 0.44 H new ATOM 0 HB3 ARG A 38 6.844 -2.863 9.126 1.00 0.44 H new ATOM 0 HG2 ARG A 38 6.359 -1.180 10.946 1.00 0.82 H new ATOM 0 HG3 ARG A 38 4.768 -1.892 11.122 1.00 0.82 H new ATOM 0 HD2 ARG A 38 5.777 -4.077 11.674 1.00 1.06 H new ATOM 0 HD3 ARG A 38 7.382 -3.420 11.425 1.00 1.06 H new ATOM 0 HE ARG A 38 5.816 -1.933 13.406 1.00 2.16 H new ATOM 0 HH11 ARG A 38 8.005 -4.640 12.820 1.00 2.36 H new ATOM 0 HH12 ARG A 38 8.543 -4.724 14.500 1.00 2.36 H new ATOM 0 HH21 ARG A 38 6.519 -2.038 15.568 1.00 3.90 H new ATOM 0 HH22 ARG A 38 7.704 -3.255 16.052 1.00 3.90 H new ATOM 607 N GLY A 39 5.596 0.950 8.633 1.00 0.28 N ATOM 608 CA GLY A 39 6.291 2.188 8.898 1.00 0.31 C ATOM 609 C GLY A 39 6.710 2.911 7.636 1.00 0.28 C ATOM 610 O GLY A 39 7.816 3.449 7.566 1.00 0.35 O ATOM 0 H GLY A 39 4.593 1.048 8.477 1.00 0.28 H new ATOM 0 HA2 GLY A 39 5.648 2.841 9.488 1.00 0.31 H new ATOM 0 HA3 GLY A 39 7.174 1.981 9.502 1.00 0.31 H new ATOM 614 N ILE A 40 5.845 2.921 6.633 1.00 0.24 N ATOM 615 CA ILE A 40 6.123 3.676 5.411 1.00 0.22 C ATOM 616 C ILE A 40 5.008 4.675 5.152 1.00 0.21 C ATOM 617 O ILE A 40 4.017 4.711 5.879 1.00 0.21 O ATOM 618 CB ILE A 40 6.294 2.775 4.162 1.00 0.21 C ATOM 619 CG1 ILE A 40 4.975 2.093 3.787 1.00 0.18 C ATOM 620 CG2 ILE A 40 7.386 1.739 4.394 1.00 0.21 C ATOM 621 CD1 ILE A 40 5.028 1.346 2.471 1.00 0.19 C ATOM 0 H ILE A 40 4.955 2.423 6.635 1.00 0.24 H new ATOM 0 HA ILE A 40 7.071 4.189 5.576 1.00 0.22 H new ATOM 0 HB ILE A 40 6.592 3.411 3.328 1.00 0.21 H new ATOM 0 HG12 ILE A 40 4.698 1.397 4.579 1.00 0.18 H new ATOM 0 HG13 ILE A 40 4.189 2.846 3.736 1.00 0.18 H new ATOM 0 HG21 ILE A 40 7.491 1.116 3.506 1.00 0.21 H new ATOM 0 HG22 ILE A 40 8.330 2.245 4.596 1.00 0.21 H new ATOM 0 HG23 ILE A 40 7.119 1.114 5.246 1.00 0.21 H new ATOM 0 HD11 ILE A 40 4.058 0.889 2.272 1.00 0.19 H new ATOM 0 HD12 ILE A 40 5.273 2.041 1.668 1.00 0.19 H new ATOM 0 HD13 ILE A 40 5.791 0.569 2.524 1.00 0.19 H new ATOM 633 N ASN A 41 5.170 5.493 4.128 1.00 0.21 N ATOM 634 CA ASN A 41 4.134 6.439 3.749 1.00 0.20 C ATOM 635 C ASN A 41 3.792 6.261 2.278 1.00 0.16 C ATOM 636 O ASN A 41 4.681 6.094 1.437 1.00 0.18 O ATOM 637 CB ASN A 41 4.567 7.887 4.035 1.00 0.29 C ATOM 638 CG ASN A 41 5.728 8.355 3.173 1.00 0.99 C ATOM 639 OD1 ASN A 41 5.533 8.923 2.101 1.00 2.00 O ATOM 640 ND2 ASN A 41 6.946 8.128 3.641 1.00 1.23 N ATOM 0 H ASN A 41 6.006 5.522 3.545 1.00 0.21 H new ATOM 0 HA ASN A 41 3.247 6.239 4.349 1.00 0.20 H new ATOM 0 HB2 ASN A 41 3.717 8.550 3.876 1.00 0.29 H new ATOM 0 HB3 ASN A 41 4.847 7.973 5.085 1.00 0.29 H new ATOM 0 HD21 ASN A 41 7.762 8.428 3.107 1.00 1.23 H new ATOM 0 HD22 ASN A 41 7.068 7.653 4.535 1.00 1.23 H new ATOM 647 N VAL A 42 2.506 6.268 1.975 1.00 0.13 N ATOM 648 CA VAL A 42 2.037 6.091 0.608 1.00 0.14 C ATOM 649 C VAL A 42 0.948 7.098 0.285 1.00 0.15 C ATOM 650 O VAL A 42 0.189 7.510 1.163 1.00 0.18 O ATOM 651 CB VAL A 42 1.485 4.667 0.351 1.00 0.16 C ATOM 652 CG1 VAL A 42 2.588 3.626 0.463 1.00 0.17 C ATOM 653 CG2 VAL A 42 0.343 4.343 1.305 1.00 0.19 C ATOM 0 H VAL A 42 1.762 6.395 2.661 1.00 0.13 H new ATOM 0 HA VAL A 42 2.902 6.246 -0.037 1.00 0.14 H new ATOM 0 HB VAL A 42 1.095 4.641 -0.667 1.00 0.16 H new ATOM 0 HG11 VAL A 42 2.173 2.635 0.278 1.00 0.17 H new ATOM 0 HG12 VAL A 42 3.364 3.838 -0.273 1.00 0.17 H new ATOM 0 HG13 VAL A 42 3.018 3.658 1.464 1.00 0.17 H new ATOM 0 HG21 VAL A 42 -0.026 3.337 1.103 1.00 0.19 H new ATOM 0 HG22 VAL A 42 0.701 4.398 2.333 1.00 0.19 H new ATOM 0 HG23 VAL A 42 -0.465 5.061 1.163 1.00 0.19 H new ATOM 663 N VAL A 43 0.877 7.499 -0.968 1.00 0.18 N ATOM 664 CA VAL A 43 -0.170 8.394 -1.411 1.00 0.22 C ATOM 665 C VAL A 43 -1.294 7.611 -2.075 1.00 0.20 C ATOM 666 O VAL A 43 -1.092 6.933 -3.081 1.00 0.20 O ATOM 667 CB VAL A 43 0.364 9.479 -2.369 1.00 0.28 C ATOM 668 CG1 VAL A 43 1.127 10.541 -1.593 1.00 0.88 C ATOM 669 CG2 VAL A 43 1.257 8.873 -3.436 1.00 0.75 C ATOM 0 H VAL A 43 1.533 7.219 -1.697 1.00 0.18 H new ATOM 0 HA VAL A 43 -0.560 8.899 -0.527 1.00 0.22 H new ATOM 0 HB VAL A 43 -0.491 9.943 -2.861 1.00 0.28 H new ATOM 0 HG11 VAL A 43 1.498 11.300 -2.282 1.00 0.88 H new ATOM 0 HG12 VAL A 43 0.463 11.006 -0.864 1.00 0.88 H new ATOM 0 HG13 VAL A 43 1.968 10.080 -1.075 1.00 0.88 H new ATOM 0 HG21 VAL A 43 1.619 9.660 -4.097 1.00 0.75 H new ATOM 0 HG22 VAL A 43 2.105 8.378 -2.963 1.00 0.75 H new ATOM 0 HG23 VAL A 43 0.689 8.145 -4.015 1.00 0.75 H new ATOM 679 N TYR A 44 -2.472 7.697 -1.495 1.00 0.21 N ATOM 680 CA TYR A 44 -3.635 7.003 -2.006 1.00 0.22 C ATOM 681 C TYR A 44 -4.342 7.883 -3.020 1.00 0.22 C ATOM 682 O TYR A 44 -4.780 8.989 -2.700 1.00 0.24 O ATOM 683 CB TYR A 44 -4.571 6.632 -0.849 1.00 0.27 C ATOM 684 CG TYR A 44 -5.991 6.308 -1.262 1.00 0.32 C ATOM 685 CD1 TYR A 44 -6.309 5.101 -1.873 1.00 0.39 C ATOM 686 CD2 TYR A 44 -7.019 7.217 -1.032 1.00 0.42 C ATOM 687 CE1 TYR A 44 -7.609 4.812 -2.244 1.00 0.47 C ATOM 688 CE2 TYR A 44 -8.319 6.934 -1.400 1.00 0.50 C ATOM 689 CZ TYR A 44 -8.610 5.732 -2.005 1.00 0.50 C ATOM 690 OH TYR A 44 -9.905 5.448 -2.377 1.00 0.59 O ATOM 0 H TYR A 44 -2.651 8.250 -0.656 1.00 0.21 H new ATOM 0 HA TYR A 44 -3.328 6.082 -2.501 1.00 0.22 H new ATOM 0 HB2 TYR A 44 -4.155 5.772 -0.324 1.00 0.27 H new ATOM 0 HB3 TYR A 44 -4.593 7.458 -0.139 1.00 0.27 H new ATOM 0 HD1 TYR A 44 -5.529 4.378 -2.061 1.00 0.39 H new ATOM 0 HD2 TYR A 44 -6.796 8.161 -0.557 1.00 0.42 H new ATOM 0 HE1 TYR A 44 -7.841 3.870 -2.719 1.00 0.47 H new ATOM 0 HE2 TYR A 44 -9.104 7.652 -1.214 1.00 0.50 H new ATOM 0 HH TYR A 44 -10.487 6.199 -2.137 1.00 0.59 H new ATOM 700 N THR A 45 -4.421 7.398 -4.248 1.00 0.24 N ATOM 701 CA THR A 45 -5.056 8.139 -5.320 1.00 0.28 C ATOM 702 C THR A 45 -6.518 7.722 -5.447 1.00 0.28 C ATOM 703 O THR A 45 -6.822 6.623 -5.913 1.00 0.30 O ATOM 704 CB THR A 45 -4.327 7.898 -6.657 1.00 0.36 C ATOM 705 OG1 THR A 45 -2.918 8.088 -6.474 1.00 1.08 O ATOM 706 CG2 THR A 45 -4.833 8.844 -7.735 1.00 1.10 C ATOM 0 H THR A 45 -4.051 6.489 -4.526 1.00 0.24 H new ATOM 0 HA THR A 45 -5.002 9.201 -5.082 1.00 0.28 H new ATOM 0 HB THR A 45 -4.526 6.876 -6.978 1.00 0.36 H new ATOM 0 HG1 THR A 45 -2.454 7.933 -7.323 1.00 1.08 H new ATOM 0 HG21 THR A 45 -4.301 8.651 -8.667 1.00 1.10 H new ATOM 0 HG22 THR A 45 -5.901 8.685 -7.887 1.00 1.10 H new ATOM 0 HG23 THR A 45 -4.660 9.875 -7.425 1.00 1.10 H new ATOM 714 N PRO A 46 -7.439 8.589 -5.011 1.00 0.31 N ATOM 715 CA PRO A 46 -8.867 8.314 -5.040 1.00 0.35 C ATOM 716 C PRO A 46 -9.452 8.524 -6.427 1.00 0.38 C ATOM 717 O PRO A 46 -9.268 9.581 -7.036 1.00 0.38 O ATOM 718 CB PRO A 46 -9.460 9.331 -4.052 1.00 0.40 C ATOM 719 CG PRO A 46 -8.293 10.067 -3.469 1.00 0.47 C ATOM 720 CD PRO A 46 -7.170 9.910 -4.448 1.00 0.37 C ATOM 0 HA PRO A 46 -9.088 7.279 -4.779 1.00 0.35 H new ATOM 0 HB2 PRO A 46 -10.140 10.016 -4.558 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -10.034 8.829 -3.273 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -8.533 11.119 -3.317 1.00 0.47 H new ATOM 0 HG3 PRO A 46 -8.021 9.658 -2.496 1.00 0.47 H new ATOM 0 HD2 PRO A 46 -7.182 10.689 -5.211 1.00 0.37 H new ATOM 0 HD3 PRO A 46 -6.196 9.955 -3.962 1.00 0.37 H new ATOM 728 N PRO A 47 -10.145 7.507 -6.949 1.00 0.45 N ATOM 729 CA PRO A 47 -10.876 7.609 -8.213 1.00 0.56 C ATOM 730 C PRO A 47 -11.823 8.803 -8.200 1.00 0.59 C ATOM 731 O PRO A 47 -12.316 9.202 -7.145 1.00 0.56 O ATOM 732 CB PRO A 47 -11.659 6.296 -8.271 1.00 0.62 C ATOM 733 CG PRO A 47 -10.857 5.348 -7.456 1.00 0.55 C ATOM 734 CD PRO A 47 -10.263 6.167 -6.350 1.00 0.49 C ATOM 0 HA PRO A 47 -10.223 7.758 -9.073 1.00 0.56 H new ATOM 0 HB2 PRO A 47 -12.664 6.415 -7.867 1.00 0.62 H new ATOM 0 HB3 PRO A 47 -11.768 5.944 -9.297 1.00 0.62 H new ATOM 0 HG2 PRO A 47 -11.481 4.548 -7.059 1.00 0.55 H new ATOM 0 HG3 PRO A 47 -10.078 4.877 -8.056 1.00 0.55 H new ATOM 0 HD2 PRO A 47 -10.902 6.176 -5.467 1.00 0.49 H new ATOM 0 HD3 PRO A 47 -9.294 5.779 -6.038 1.00 0.49 H new ATOM 742 N GLN A 48 -12.068 9.369 -9.375 1.00 0.70 N ATOM 743 CA GLN A 48 -12.805 10.626 -9.499 1.00 0.79 C ATOM 744 C GLN A 48 -14.225 10.524 -8.951 1.00 0.77 C ATOM 745 O GLN A 48 -14.855 11.543 -8.673 1.00 0.83 O ATOM 746 CB GLN A 48 -12.841 11.084 -10.956 1.00 0.96 C ATOM 747 CG GLN A 48 -13.562 10.124 -11.885 1.00 1.50 C ATOM 748 CD GLN A 48 -13.594 10.618 -13.315 1.00 1.79 C ATOM 749 OE1 GLN A 48 -13.594 9.826 -14.257 1.00 2.22 O ATOM 750 NE2 GLN A 48 -13.638 11.930 -13.484 1.00 2.18 N ATOM 0 H GLN A 48 -11.765 8.975 -10.266 1.00 0.70 H new ATOM 0 HA GLN A 48 -12.274 11.365 -8.898 1.00 0.79 H new ATOM 0 HB2 GLN A 48 -13.327 12.058 -11.008 1.00 0.96 H new ATOM 0 HB3 GLN A 48 -11.819 11.218 -11.310 1.00 0.96 H new ATOM 0 HG2 GLN A 48 -13.071 9.152 -11.851 1.00 1.50 H new ATOM 0 HG3 GLN A 48 -14.583 9.978 -11.531 1.00 1.50 H new ATOM 0 HE21 GLN A 48 -13.636 12.549 -12.673 1.00 2.18 H new ATOM 0 HE22 GLN A 48 -13.674 12.322 -14.425 1.00 2.18 H new ATOM 759 N SER A 49 -14.724 9.303 -8.796 1.00 0.72 N ATOM 760 CA SER A 49 -16.038 9.089 -8.212 1.00 0.74 C ATOM 761 C SER A 49 -16.010 9.359 -6.705 1.00 0.71 C ATOM 762 O SER A 49 -17.052 9.577 -6.084 1.00 0.78 O ATOM 763 CB SER A 49 -16.511 7.659 -8.490 1.00 0.77 C ATOM 764 OG SER A 49 -17.871 7.483 -8.126 1.00 1.75 O ATOM 0 H SER A 49 -14.237 8.449 -9.067 1.00 0.72 H new ATOM 0 HA SER A 49 -16.739 9.786 -8.670 1.00 0.74 H new ATOM 0 HB2 SER A 49 -16.384 7.432 -9.548 1.00 0.77 H new ATOM 0 HB3 SER A 49 -15.890 6.955 -7.936 1.00 0.77 H new ATOM 0 HG SER A 49 -17.986 6.605 -7.706 1.00 1.75 H new ATOM 770 N PHE A 50 -14.814 9.350 -6.122 1.00 0.65 N ATOM 771 CA PHE A 50 -14.657 9.615 -4.697 1.00 0.64 C ATOM 772 C PHE A 50 -14.606 11.113 -4.424 1.00 0.71 C ATOM 773 O PHE A 50 -14.883 11.562 -3.309 1.00 0.77 O ATOM 774 CB PHE A 50 -13.391 8.948 -4.150 1.00 0.57 C ATOM 775 CG PHE A 50 -13.503 7.458 -3.979 1.00 0.53 C ATOM 776 CD1 PHE A 50 -13.480 6.613 -5.077 1.00 0.60 C ATOM 777 CD2 PHE A 50 -13.626 6.903 -2.714 1.00 0.59 C ATOM 778 CE1 PHE A 50 -13.577 5.245 -4.916 1.00 0.68 C ATOM 779 CE2 PHE A 50 -13.722 5.536 -2.548 1.00 0.66 C ATOM 780 CZ PHE A 50 -13.698 4.706 -3.651 1.00 0.68 C ATOM 0 H PHE A 50 -13.941 9.162 -6.615 1.00 0.65 H new ATOM 0 HA PHE A 50 -15.524 9.193 -4.189 1.00 0.64 H new ATOM 0 HB2 PHE A 50 -12.561 9.164 -4.823 1.00 0.57 H new ATOM 0 HB3 PHE A 50 -13.145 9.395 -3.187 1.00 0.57 H new ATOM 0 HD1 PHE A 50 -13.385 7.029 -6.069 1.00 0.60 H new ATOM 0 HD2 PHE A 50 -13.647 7.548 -1.848 1.00 0.59 H new ATOM 0 HE1 PHE A 50 -13.558 4.597 -5.780 1.00 0.68 H new ATOM 0 HE2 PHE A 50 -13.816 5.117 -1.557 1.00 0.66 H new ATOM 0 HZ PHE A 50 -13.774 3.636 -3.524 1.00 0.68 H new ATOM 790 N GLN A 51 -14.211 11.876 -5.450 1.00 0.72 N ATOM 791 CA GLN A 51 -14.198 13.339 -5.396 1.00 0.79 C ATOM 792 C GLN A 51 -13.186 13.839 -4.370 1.00 0.66 C ATOM 793 O GLN A 51 -13.410 14.846 -3.703 1.00 0.83 O ATOM 794 CB GLN A 51 -15.595 13.892 -5.077 1.00 1.07 C ATOM 795 CG GLN A 51 -16.664 13.541 -6.110 1.00 1.23 C ATOM 796 CD GLN A 51 -16.554 14.330 -7.407 1.00 1.98 C ATOM 797 OE1 GLN A 51 -17.558 14.599 -8.061 1.00 2.73 O ATOM 798 NE2 GLN A 51 -15.343 14.702 -7.796 1.00 2.45 N ATOM 0 H GLN A 51 -13.892 11.495 -6.340 1.00 0.72 H new ATOM 0 HA GLN A 51 -13.901 13.702 -6.380 1.00 0.79 H new ATOM 0 HB2 GLN A 51 -15.909 13.513 -4.104 1.00 1.07 H new ATOM 0 HB3 GLN A 51 -15.532 14.977 -4.991 1.00 1.07 H new ATOM 0 HG2 GLN A 51 -16.599 12.477 -6.337 1.00 1.23 H new ATOM 0 HG3 GLN A 51 -17.648 13.715 -5.673 1.00 1.23 H new ATOM 0 HE21 GLN A 51 -14.529 14.462 -7.229 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -15.225 15.228 -8.662 1.00 2.45 H new ATOM 807 N SER A 52 -12.060 13.143 -4.270 1.00 0.53 N ATOM 808 CA SER A 52 -11.057 13.454 -3.261 1.00 0.50 C ATOM 809 C SER A 52 -9.661 13.541 -3.881 1.00 0.42 C ATOM 810 O SER A 52 -9.366 12.873 -4.873 1.00 0.44 O ATOM 811 CB SER A 52 -11.076 12.385 -2.167 1.00 0.55 C ATOM 812 OG SER A 52 -12.382 12.230 -1.634 1.00 1.21 O ATOM 0 H SER A 52 -11.819 12.359 -4.876 1.00 0.53 H new ATOM 0 HA SER A 52 -11.297 14.425 -2.827 1.00 0.50 H new ATOM 0 HB2 SER A 52 -10.730 11.435 -2.575 1.00 0.55 H new ATOM 0 HB3 SER A 52 -10.384 12.661 -1.371 1.00 0.55 H new ATOM 0 HG SER A 52 -12.976 11.868 -2.324 1.00 1.21 H new ATOM 818 N ALA A 53 -8.819 14.380 -3.293 1.00 0.48 N ATOM 819 CA ALA A 53 -7.437 14.536 -3.730 1.00 0.52 C ATOM 820 C ALA A 53 -6.543 13.515 -3.035 1.00 0.41 C ATOM 821 O ALA A 53 -6.783 13.170 -1.880 1.00 0.44 O ATOM 822 CB ALA A 53 -6.953 15.950 -3.439 1.00 0.73 C ATOM 0 H ALA A 53 -9.073 14.971 -2.501 1.00 0.48 H new ATOM 0 HA ALA A 53 -7.387 14.363 -4.805 1.00 0.52 H new ATOM 0 HB1 ALA A 53 -5.920 16.056 -3.769 1.00 0.73 H new ATOM 0 HB2 ALA A 53 -7.579 16.666 -3.971 1.00 0.73 H new ATOM 0 HB3 ALA A 53 -7.013 16.142 -2.368 1.00 0.73 H new ATOM 828 N PRO A 54 -5.526 12.991 -3.750 1.00 0.39 N ATOM 829 CA PRO A 54 -4.589 11.993 -3.212 1.00 0.32 C ATOM 830 C PRO A 54 -4.054 12.355 -1.828 1.00 0.29 C ATOM 831 O PRO A 54 -3.470 13.423 -1.631 1.00 0.36 O ATOM 832 CB PRO A 54 -3.456 11.990 -4.237 1.00 0.39 C ATOM 833 CG PRO A 54 -4.111 12.374 -5.517 1.00 0.52 C ATOM 834 CD PRO A 54 -5.211 13.335 -5.150 1.00 0.52 C ATOM 0 HA PRO A 54 -5.071 11.025 -3.074 1.00 0.32 H new ATOM 0 HB2 PRO A 54 -2.672 12.697 -3.964 1.00 0.39 H new ATOM 0 HB3 PRO A 54 -2.989 11.008 -4.309 1.00 0.39 H new ATOM 0 HG2 PRO A 54 -3.397 12.840 -6.196 1.00 0.52 H new ATOM 0 HG3 PRO A 54 -4.512 11.499 -6.028 1.00 0.52 H new ATOM 0 HD2 PRO A 54 -4.885 14.371 -5.244 1.00 0.52 H new ATOM 0 HD3 PRO A 54 -6.080 13.214 -5.797 1.00 0.52 H new ATOM 842 N ARG A 55 -4.255 11.453 -0.876 1.00 0.26 N ATOM 843 CA ARG A 55 -3.856 11.687 0.506 1.00 0.31 C ATOM 844 C ARG A 55 -2.709 10.764 0.888 1.00 0.24 C ATOM 845 O ARG A 55 -2.658 9.618 0.450 1.00 0.20 O ATOM 846 CB ARG A 55 -5.043 11.454 1.445 1.00 0.42 C ATOM 847 CG ARG A 55 -6.264 12.289 1.090 1.00 1.13 C ATOM 848 CD ARG A 55 -5.986 13.780 1.219 1.00 1.35 C ATOM 849 NE ARG A 55 -5.982 14.219 2.612 1.00 2.05 N ATOM 850 CZ ARG A 55 -5.224 15.209 3.088 1.00 2.41 C ATOM 851 NH1 ARG A 55 -4.338 15.818 2.304 1.00 2.30 N ATOM 852 NH2 ARG A 55 -5.349 15.579 4.356 1.00 3.34 N ATOM 0 H ARG A 55 -4.695 10.547 -1.037 1.00 0.26 H new ATOM 0 HA ARG A 55 -3.524 12.721 0.600 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -5.314 10.398 1.422 1.00 0.42 H new ATOM 0 HB3 ARG A 55 -4.740 11.683 2.467 1.00 0.42 H new ATOM 0 HG2 ARG A 55 -6.574 12.064 0.070 1.00 1.13 H new ATOM 0 HG3 ARG A 55 -7.093 12.016 1.743 1.00 1.13 H new ATOM 0 HD2 ARG A 55 -5.022 14.009 0.764 1.00 1.35 H new ATOM 0 HD3 ARG A 55 -6.741 14.338 0.665 1.00 1.35 H new ATOM 0 HE ARG A 55 -6.600 13.737 3.265 1.00 2.05 H new ATOM 0 HH11 ARG A 55 -4.234 15.529 1.331 1.00 2.30 H new ATOM 0 HH12 ARG A 55 -3.763 16.574 2.676 1.00 2.30 H new ATOM 0 HH21 ARG A 55 -6.021 15.108 4.961 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -4.773 16.335 4.726 1.00 3.34 H new ATOM 866 N VAL A 56 -1.794 11.258 1.706 1.00 0.26 N ATOM 867 CA VAL A 56 -0.662 10.457 2.144 1.00 0.24 C ATOM 868 C VAL A 56 -0.970 9.795 3.487 1.00 0.22 C ATOM 869 O VAL A 56 -1.190 10.469 4.495 1.00 0.25 O ATOM 870 CB VAL A 56 0.640 11.296 2.230 1.00 0.29 C ATOM 871 CG1 VAL A 56 0.458 12.524 3.112 1.00 1.48 C ATOM 872 CG2 VAL A 56 1.802 10.443 2.727 1.00 1.32 C ATOM 0 H VAL A 56 -1.812 12.207 2.079 1.00 0.26 H new ATOM 0 HA VAL A 56 -0.496 9.680 1.398 1.00 0.24 H new ATOM 0 HB VAL A 56 0.873 11.644 1.224 1.00 0.29 H new ATOM 0 HG11 VAL A 56 1.391 13.087 3.149 1.00 1.48 H new ATOM 0 HG12 VAL A 56 -0.330 13.154 2.700 1.00 1.48 H new ATOM 0 HG13 VAL A 56 0.184 12.211 4.119 1.00 1.48 H new ATOM 0 HG21 VAL A 56 2.704 11.052 2.779 1.00 1.32 H new ATOM 0 HG22 VAL A 56 1.569 10.053 3.718 1.00 1.32 H new ATOM 0 HG23 VAL A 56 1.964 9.613 2.039 1.00 1.32 H new ATOM 882 N TYR A 57 -1.018 8.472 3.489 1.00 0.22 N ATOM 883 CA TYR A 57 -1.361 7.728 4.688 1.00 0.25 C ATOM 884 C TYR A 57 -0.145 7.020 5.264 1.00 0.25 C ATOM 885 O TYR A 57 0.746 6.584 4.528 1.00 0.27 O ATOM 886 CB TYR A 57 -2.451 6.706 4.377 1.00 0.27 C ATOM 887 CG TYR A 57 -3.769 7.330 3.984 1.00 0.31 C ATOM 888 CD1 TYR A 57 -4.601 7.897 4.939 1.00 0.44 C ATOM 889 CD2 TYR A 57 -4.181 7.350 2.659 1.00 0.40 C ATOM 890 CE1 TYR A 57 -5.808 8.468 4.585 1.00 0.49 C ATOM 891 CE2 TYR A 57 -5.387 7.920 2.296 1.00 0.47 C ATOM 892 CZ TYR A 57 -6.196 8.478 3.263 1.00 0.46 C ATOM 893 OH TYR A 57 -7.397 9.046 2.905 1.00 0.54 O ATOM 0 H TYR A 57 -0.823 7.892 2.673 1.00 0.22 H new ATOM 0 HA TYR A 57 -1.728 8.438 5.429 1.00 0.25 H new ATOM 0 HB2 TYR A 57 -2.110 6.058 3.570 1.00 0.27 H new ATOM 0 HB3 TYR A 57 -2.604 6.073 5.251 1.00 0.27 H new ATOM 0 HD1 TYR A 57 -4.300 7.892 5.976 1.00 0.44 H new ATOM 0 HD2 TYR A 57 -3.550 6.913 1.899 1.00 0.40 H new ATOM 0 HE1 TYR A 57 -6.444 8.904 5.341 1.00 0.49 H new ATOM 0 HE2 TYR A 57 -5.694 7.928 1.261 1.00 0.47 H new ATOM 0 HH TYR A 57 -7.518 8.970 1.935 1.00 0.54 H new ATOM 903 N ARG A 58 -0.110 6.925 6.586 1.00 0.27 N ATOM 904 CA ARG A 58 0.955 6.221 7.280 1.00 0.31 C ATOM 905 C ARG A 58 0.651 4.735 7.325 1.00 0.27 C ATOM 906 O ARG A 58 -0.318 4.311 7.952 1.00 0.31 O ATOM 907 CB ARG A 58 1.109 6.766 8.701 1.00 0.42 C ATOM 908 CG ARG A 58 2.138 6.031 9.538 1.00 0.55 C ATOM 909 CD ARG A 58 3.537 6.329 9.047 1.00 1.11 C ATOM 910 NE ARG A 58 4.560 5.676 9.854 1.00 1.70 N ATOM 911 CZ ARG A 58 5.766 6.194 10.075 1.00 2.56 C ATOM 912 NH1 ARG A 58 6.093 7.370 9.552 1.00 3.09 N ATOM 913 NH2 ARG A 58 6.636 5.541 10.831 1.00 3.26 N ATOM 0 H ARG A 58 -0.814 7.331 7.202 1.00 0.27 H new ATOM 0 HA ARG A 58 1.889 6.376 6.740 1.00 0.31 H new ATOM 0 HB2 ARG A 58 1.386 7.819 8.647 1.00 0.42 H new ATOM 0 HB3 ARG A 58 0.144 6.716 9.205 1.00 0.42 H new ATOM 0 HG2 ARG A 58 2.043 6.327 10.583 1.00 0.55 H new ATOM 0 HG3 ARG A 58 1.952 4.958 9.493 1.00 0.55 H new ATOM 0 HD2 ARG A 58 3.633 6.003 8.011 1.00 1.11 H new ATOM 0 HD3 ARG A 58 3.702 7.406 9.059 1.00 1.11 H new ATOM 0 HE ARG A 58 4.340 4.772 10.272 1.00 1.70 H new ATOM 0 HH11 ARG A 58 5.419 7.879 8.979 1.00 3.09 H new ATOM 0 HH12 ARG A 58 7.018 7.765 9.723 1.00 3.09 H new ATOM 0 HH21 ARG A 58 6.381 4.643 11.242 1.00 3.26 H new ATOM 0 HH22 ARG A 58 7.561 5.936 11.002 1.00 3.26 H new ATOM 927 N VAL A 59 1.475 3.957 6.650 1.00 0.25 N ATOM 928 CA VAL A 59 1.302 2.521 6.609 1.00 0.25 C ATOM 929 C VAL A 59 1.833 1.889 7.882 1.00 0.25 C ATOM 930 O VAL A 59 3.045 1.904 8.137 1.00 0.26 O ATOM 931 CB VAL A 59 2.030 1.910 5.402 1.00 0.31 C ATOM 932 CG1 VAL A 59 1.916 0.396 5.419 1.00 0.45 C ATOM 933 CG2 VAL A 59 1.478 2.477 4.107 1.00 0.36 C ATOM 0 H VAL A 59 2.276 4.300 6.120 1.00 0.25 H new ATOM 0 HA VAL A 59 0.235 2.319 6.517 1.00 0.25 H new ATOM 0 HB VAL A 59 3.086 2.171 5.467 1.00 0.31 H new ATOM 0 HG11 VAL A 59 2.438 -0.018 4.556 1.00 0.45 H new ATOM 0 HG12 VAL A 59 2.363 0.008 6.334 1.00 0.45 H new ATOM 0 HG13 VAL A 59 0.865 0.110 5.379 1.00 0.45 H new ATOM 0 HG21 VAL A 59 2.005 2.034 3.262 1.00 0.36 H new ATOM 0 HG22 VAL A 59 0.415 2.247 4.033 1.00 0.36 H new ATOM 0 HG23 VAL A 59 1.617 3.558 4.095 1.00 0.36 H new ATOM 943 N ASN A 60 0.918 1.350 8.678 1.00 0.28 N ATOM 944 CA ASN A 60 1.274 0.677 9.914 1.00 0.32 C ATOM 945 C ASN A 60 1.583 -0.786 9.630 1.00 0.32 C ATOM 946 O ASN A 60 2.507 -1.364 10.203 1.00 0.37 O ATOM 947 CB ASN A 60 0.131 0.774 10.930 1.00 0.41 C ATOM 948 CG ASN A 60 -0.371 2.195 11.128 1.00 1.12 C ATOM 949 OD1 ASN A 60 -1.303 2.631 10.459 1.00 1.92 O ATOM 950 ND2 ASN A 60 0.246 2.928 12.042 1.00 1.68 N ATOM 0 H ASN A 60 -0.083 1.368 8.484 1.00 0.28 H new ATOM 0 HA ASN A 60 2.155 1.163 10.333 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.696 0.146 10.599 1.00 0.41 H new ATOM 0 HB3 ASN A 60 0.469 0.378 11.887 1.00 0.41 H new ATOM 0 HD21 ASN A 60 -0.050 3.890 12.209 1.00 1.68 H new ATOM 0 HD22 ASN A 60 1.017 2.531 12.579 1.00 1.68 H new ATOM 957 N GLY A 61 0.802 -1.378 8.736 1.00 0.40 N ATOM 958 CA GLY A 61 1.005 -2.762 8.364 1.00 0.47 C ATOM 959 C GLY A 61 -0.057 -3.243 7.399 1.00 0.43 C ATOM 960 O GLY A 61 -0.691 -2.433 6.721 1.00 0.43 O ATOM 0 H GLY A 61 0.026 -0.919 8.259 1.00 0.40 H new ATOM 0 HA2 GLY A 61 1.989 -2.876 7.909 1.00 0.47 H new ATOM 0 HA3 GLY A 61 0.993 -3.385 9.258 1.00 0.47 H new ATOM 964 N LEU A 62 -0.268 -4.551 7.341 1.00 0.41 N ATOM 965 CA LEU A 62 -1.244 -5.138 6.434 1.00 0.38 C ATOM 966 C LEU A 62 -2.143 -6.109 7.184 1.00 0.38 C ATOM 967 O LEU A 62 -1.774 -6.609 8.245 1.00 0.42 O ATOM 968 CB LEU A 62 -0.541 -5.885 5.297 1.00 0.39 C ATOM 969 CG LEU A 62 0.272 -5.018 4.336 1.00 0.45 C ATOM 970 CD1 LEU A 62 0.911 -5.876 3.263 1.00 0.43 C ATOM 971 CD2 LEU A 62 -0.605 -3.959 3.706 1.00 0.55 C ATOM 0 H LEU A 62 0.229 -5.231 7.917 1.00 0.41 H new ATOM 0 HA LEU A 62 -1.845 -4.330 6.017 1.00 0.38 H new ATOM 0 HB2 LEU A 62 0.123 -6.631 5.733 1.00 0.39 H new ATOM 0 HB3 LEU A 62 -1.293 -6.425 4.722 1.00 0.39 H new ATOM 0 HG LEU A 62 1.061 -4.523 4.903 1.00 0.45 H new ATOM 0 HD11 LEU A 62 1.486 -5.244 2.587 1.00 0.43 H new ATOM 0 HD12 LEU A 62 1.573 -6.607 3.728 1.00 0.43 H new ATOM 0 HD13 LEU A 62 0.134 -6.395 2.702 1.00 0.43 H new ATOM 0 HD21 LEU A 62 -0.009 -3.351 3.025 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -1.413 -4.438 3.153 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -1.026 -3.324 4.486 1.00 0.55 H new ATOM 983 N SER A 63 -3.330 -6.344 6.659 1.00 0.36 N ATOM 984 CA SER A 63 -4.216 -7.355 7.213 1.00 0.40 C ATOM 985 C SER A 63 -4.029 -8.664 6.451 1.00 0.46 C ATOM 986 O SER A 63 -4.145 -8.692 5.226 1.00 0.62 O ATOM 987 CB SER A 63 -5.677 -6.892 7.127 1.00 0.44 C ATOM 988 OG SER A 63 -6.545 -7.773 7.831 1.00 1.45 O ATOM 0 H SER A 63 -3.705 -5.850 5.849 1.00 0.36 H new ATOM 0 HA SER A 63 -3.969 -7.511 8.263 1.00 0.40 H new ATOM 0 HB2 SER A 63 -5.766 -5.886 7.538 1.00 0.44 H new ATOM 0 HB3 SER A 63 -5.982 -6.837 6.082 1.00 0.44 H new ATOM 0 HG SER A 63 -7.407 -7.332 7.982 1.00 1.45 H new ATOM 994 N ARG A 64 -3.696 -9.734 7.180 1.00 0.73 N ATOM 995 CA ARG A 64 -3.539 -11.068 6.586 1.00 0.94 C ATOM 996 C ARG A 64 -4.791 -11.535 5.837 1.00 0.65 C ATOM 997 O ARG A 64 -4.750 -12.539 5.124 1.00 0.72 O ATOM 998 CB ARG A 64 -3.150 -12.113 7.639 1.00 1.40 C ATOM 999 CG ARG A 64 -1.675 -12.092 8.008 1.00 2.25 C ATOM 1000 CD ARG A 64 -1.437 -11.421 9.348 1.00 2.62 C ATOM 1001 NE ARG A 64 -2.005 -12.197 10.448 1.00 3.28 N ATOM 1002 CZ ARG A 64 -2.409 -11.670 11.603 1.00 3.81 C ATOM 1003 NH1 ARG A 64 -2.281 -10.365 11.826 1.00 3.76 N ATOM 1004 NH2 ARG A 64 -2.927 -12.455 12.540 1.00 4.70 N ATOM 0 H ARG A 64 -3.529 -9.703 8.186 1.00 0.73 H new ATOM 0 HA ARG A 64 -2.731 -10.974 5.860 1.00 0.94 H new ATOM 0 HB2 ARG A 64 -3.743 -11.947 8.539 1.00 1.40 H new ATOM 0 HB3 ARG A 64 -3.408 -13.104 7.266 1.00 1.40 H new ATOM 0 HG2 ARG A 64 -1.294 -13.113 8.040 1.00 2.25 H new ATOM 0 HG3 ARG A 64 -1.115 -11.567 7.234 1.00 2.25 H new ATOM 0 HD2 ARG A 64 -0.366 -11.294 9.507 1.00 2.62 H new ATOM 0 HD3 ARG A 64 -1.878 -10.424 9.340 1.00 2.62 H new ATOM 0 HE ARG A 64 -2.098 -13.205 10.324 1.00 3.28 H new ATOM 0 HH11 ARG A 64 -1.872 -9.763 11.111 1.00 3.76 H new ATOM 0 HH12 ARG A 64 -2.592 -9.966 12.712 1.00 3.76 H new ATOM 0 HH21 ARG A 64 -3.014 -13.458 12.374 1.00 4.70 H new ATOM 0 HH22 ARG A 64 -3.237 -12.055 13.426 1.00 4.70 H new ATOM 1018 N ALA A 65 -5.895 -10.826 6.009 1.00 0.45 N ATOM 1019 CA ALA A 65 -7.109 -11.122 5.267 1.00 0.32 C ATOM 1020 C ALA A 65 -7.241 -10.188 4.066 1.00 0.30 C ATOM 1021 O ALA A 65 -7.165 -8.963 4.206 1.00 0.33 O ATOM 1022 CB ALA A 65 -8.325 -11.006 6.170 1.00 0.47 C ATOM 0 H ALA A 65 -5.975 -10.042 6.656 1.00 0.45 H new ATOM 0 HA ALA A 65 -7.050 -12.147 4.901 1.00 0.32 H new ATOM 0 HB1 ALA A 65 -9.225 -11.231 5.598 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -8.234 -11.712 6.996 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -8.390 -9.992 6.565 1.00 0.47 H new ATOM 1028 N PRO A 66 -7.411 -10.764 2.868 1.00 0.27 N ATOM 1029 CA PRO A 66 -7.578 -10.002 1.623 1.00 0.29 C ATOM 1030 C PRO A 66 -8.845 -9.148 1.624 1.00 0.27 C ATOM 1031 O PRO A 66 -9.806 -9.432 2.343 1.00 0.26 O ATOM 1032 CB PRO A 66 -7.678 -11.086 0.544 1.00 0.32 C ATOM 1033 CG PRO A 66 -7.096 -12.306 1.167 1.00 0.30 C ATOM 1034 CD PRO A 66 -7.432 -12.214 2.624 1.00 0.27 C ATOM 0 HA PRO A 66 -6.757 -9.301 1.472 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -8.713 -11.251 0.245 1.00 0.32 H new ATOM 0 HB3 PRO A 66 -7.129 -10.801 -0.353 1.00 0.32 H new ATOM 0 HG2 PRO A 66 -7.515 -13.210 0.725 1.00 0.30 H new ATOM 0 HG3 PRO A 66 -6.017 -12.347 1.015 1.00 0.30 H new ATOM 0 HD2 PRO A 66 -8.408 -12.648 2.843 1.00 0.27 H new ATOM 0 HD3 PRO A 66 -6.704 -12.739 3.242 1.00 0.27 H new ATOM 1042 N ALA A 67 -8.834 -8.109 0.791 1.00 0.29 N ATOM 1043 CA ALA A 67 -9.917 -7.126 0.728 1.00 0.28 C ATOM 1044 C ALA A 67 -11.244 -7.747 0.305 1.00 0.26 C ATOM 1045 O ALA A 67 -12.307 -7.155 0.502 1.00 0.27 O ATOM 1046 CB ALA A 67 -9.541 -5.999 -0.224 1.00 0.35 C ATOM 0 H ALA A 67 -8.072 -7.924 0.138 1.00 0.29 H new ATOM 0 HA ALA A 67 -10.053 -6.730 1.734 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -10.352 -5.272 -0.265 1.00 0.35 H new ATOM 0 HB2 ALA A 67 -8.633 -5.511 0.131 1.00 0.35 H new ATOM 0 HB3 ALA A 67 -9.368 -6.407 -1.220 1.00 0.35 H new ATOM 1052 N SER A 68 -11.179 -8.928 -0.292 1.00 0.30 N ATOM 1053 CA SER A 68 -12.375 -9.640 -0.707 1.00 0.35 C ATOM 1054 C SER A 68 -13.007 -10.394 0.464 1.00 0.31 C ATOM 1055 O SER A 68 -14.176 -10.774 0.408 1.00 0.40 O ATOM 1056 CB SER A 68 -12.021 -10.606 -1.837 1.00 0.48 C ATOM 1057 OG SER A 68 -10.841 -11.329 -1.529 1.00 1.42 O ATOM 0 H SER A 68 -10.306 -9.414 -0.500 1.00 0.30 H new ATOM 0 HA SER A 68 -13.107 -8.915 -1.063 1.00 0.35 H new ATOM 0 HB2 SER A 68 -12.846 -11.300 -2.001 1.00 0.48 H new ATOM 0 HB3 SER A 68 -11.882 -10.052 -2.765 1.00 0.48 H new ATOM 0 HG SER A 68 -10.802 -12.141 -2.077 1.00 1.42 H new ATOM 1063 N SER A 69 -12.237 -10.594 1.527 1.00 0.28 N ATOM 1064 CA SER A 69 -12.706 -11.364 2.671 1.00 0.37 C ATOM 1065 C SER A 69 -12.833 -10.493 3.924 1.00 0.33 C ATOM 1066 O SER A 69 -13.331 -10.944 4.958 1.00 0.42 O ATOM 1067 CB SER A 69 -11.748 -12.527 2.936 1.00 0.50 C ATOM 1068 OG SER A 69 -11.514 -13.272 1.750 1.00 1.46 O ATOM 0 H SER A 69 -11.287 -10.234 1.620 1.00 0.28 H new ATOM 0 HA SER A 69 -13.697 -11.750 2.435 1.00 0.37 H new ATOM 0 HB2 SER A 69 -10.803 -12.144 3.322 1.00 0.50 H new ATOM 0 HB3 SER A 69 -12.165 -13.179 3.703 1.00 0.50 H new ATOM 0 HG SER A 69 -10.898 -14.009 1.943 1.00 1.46 H new ATOM 1074 N GLU A 70 -12.370 -9.254 3.835 1.00 0.28 N ATOM 1075 CA GLU A 70 -12.422 -8.331 4.956 1.00 0.35 C ATOM 1076 C GLU A 70 -13.696 -7.503 4.946 1.00 0.37 C ATOM 1077 O GLU A 70 -13.945 -6.736 4.012 1.00 0.37 O ATOM 1078 CB GLU A 70 -11.213 -7.405 4.922 1.00 0.42 C ATOM 1079 CG GLU A 70 -9.970 -7.997 5.559 1.00 0.78 C ATOM 1080 CD GLU A 70 -10.015 -7.985 7.075 1.00 0.58 C ATOM 1081 OE1 GLU A 70 -10.930 -8.612 7.647 1.00 1.03 O ATOM 1082 OE2 GLU A 70 -9.144 -7.347 7.704 1.00 1.26 O ATOM 0 H GLU A 70 -11.951 -8.864 2.990 1.00 0.28 H new ATOM 0 HA GLU A 70 -12.412 -8.923 5.871 1.00 0.35 H new ATOM 0 HB2 GLU A 70 -10.992 -7.149 3.886 1.00 0.42 H new ATOM 0 HB3 GLU A 70 -11.464 -6.476 5.433 1.00 0.42 H new ATOM 0 HG2 GLU A 70 -9.845 -9.023 5.213 1.00 0.78 H new ATOM 0 HG3 GLU A 70 -9.096 -7.439 5.223 1.00 0.78 H new ATOM 1089 N THR A 71 -14.508 -7.673 5.978 1.00 0.44 N ATOM 1090 CA THR A 71 -15.668 -6.823 6.161 1.00 0.48 C ATOM 1091 C THR A 71 -15.410 -5.806 7.265 1.00 0.58 C ATOM 1092 O THR A 71 -15.158 -6.170 8.415 1.00 0.85 O ATOM 1093 CB THR A 71 -16.913 -7.656 6.525 1.00 0.61 C ATOM 1094 OG1 THR A 71 -16.595 -8.566 7.591 1.00 0.76 O ATOM 1095 CG2 THR A 71 -17.429 -8.434 5.323 1.00 0.62 C ATOM 0 H THR A 71 -14.384 -8.387 6.696 1.00 0.44 H new ATOM 0 HA THR A 71 -15.851 -6.305 5.219 1.00 0.48 H new ATOM 0 HB THR A 71 -17.696 -6.970 6.848 1.00 0.61 H new ATOM 0 HG1 THR A 71 -16.027 -8.113 8.249 1.00 0.76 H new ATOM 0 HG21 THR A 71 -18.307 -9.011 5.613 1.00 0.62 H new ATOM 0 HG22 THR A 71 -17.698 -7.739 4.528 1.00 0.62 H new ATOM 0 HG23 THR A 71 -16.652 -9.110 4.966 1.00 0.62 H new ATOM 1103 N PHE A 72 -15.481 -4.534 6.913 1.00 0.51 N ATOM 1104 CA PHE A 72 -15.326 -3.466 7.890 1.00 0.59 C ATOM 1105 C PHE A 72 -16.639 -2.722 8.086 1.00 0.68 C ATOM 1106 O PHE A 72 -17.551 -2.827 7.263 1.00 0.64 O ATOM 1107 CB PHE A 72 -14.222 -2.494 7.450 1.00 0.58 C ATOM 1108 CG PHE A 72 -14.550 -1.694 6.221 1.00 0.54 C ATOM 1109 CD1 PHE A 72 -14.507 -2.273 4.963 1.00 0.43 C ATOM 1110 CD2 PHE A 72 -14.899 -0.357 6.327 1.00 0.68 C ATOM 1111 CE1 PHE A 72 -14.805 -1.534 3.836 1.00 0.43 C ATOM 1112 CE2 PHE A 72 -15.198 0.387 5.201 1.00 0.67 C ATOM 1113 CZ PHE A 72 -15.152 -0.204 3.956 1.00 0.52 C ATOM 0 H PHE A 72 -15.645 -4.214 5.959 1.00 0.51 H new ATOM 0 HA PHE A 72 -15.039 -3.912 8.842 1.00 0.59 H new ATOM 0 HB2 PHE A 72 -14.012 -1.807 8.270 1.00 0.58 H new ATOM 0 HB3 PHE A 72 -13.309 -3.060 7.267 1.00 0.58 H new ATOM 0 HD1 PHE A 72 -14.237 -3.314 4.863 1.00 0.43 H new ATOM 0 HD2 PHE A 72 -14.938 0.109 7.301 1.00 0.68 H new ATOM 0 HE1 PHE A 72 -14.767 -1.997 2.861 1.00 0.43 H new ATOM 0 HE2 PHE A 72 -15.467 1.429 5.296 1.00 0.67 H new ATOM 0 HZ PHE A 72 -15.388 0.374 3.075 1.00 0.52 H new ATOM 1123 N GLU A 73 -16.727 -1.983 9.183 1.00 0.83 N ATOM 1124 CA GLU A 73 -17.926 -1.231 9.501 1.00 0.94 C ATOM 1125 C GLU A 73 -17.846 0.173 8.917 1.00 0.99 C ATOM 1126 O GLU A 73 -16.964 0.960 9.270 1.00 1.09 O ATOM 1127 CB GLU A 73 -18.129 -1.159 11.015 1.00 1.14 C ATOM 1128 CG GLU A 73 -19.439 -0.508 11.422 1.00 1.27 C ATOM 1129 CD GLU A 73 -19.564 -0.334 12.918 1.00 1.68 C ATOM 1130 OE1 GLU A 73 -20.063 -1.262 13.588 1.00 1.96 O ATOM 1131 OE2 GLU A 73 -19.169 0.732 13.434 1.00 2.03 O ATOM 0 H GLU A 73 -15.977 -1.890 9.868 1.00 0.83 H new ATOM 0 HA GLU A 73 -18.779 -1.746 9.059 1.00 0.94 H new ATOM 0 HB2 GLU A 73 -18.091 -2.168 11.427 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -17.303 -0.602 11.458 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -19.522 0.466 10.939 1.00 1.27 H new ATOM 0 HG3 GLU A 73 -20.269 -1.115 11.060 1.00 1.27 H new ATOM 1138 N HIS A 74 -18.776 0.472 8.027 1.00 0.97 N ATOM 1139 CA HIS A 74 -18.856 1.768 7.384 1.00 1.06 C ATOM 1140 C HIS A 74 -20.299 2.257 7.457 1.00 1.17 C ATOM 1141 O HIS A 74 -21.199 1.617 6.914 1.00 1.05 O ATOM 1142 CB HIS A 74 -18.386 1.663 5.928 1.00 1.04 C ATOM 1143 CG HIS A 74 -18.208 2.985 5.246 1.00 1.19 C ATOM 1144 ND1 HIS A 74 -17.024 3.675 5.322 1.00 1.99 N ATOM 1145 CD2 HIS A 74 -19.080 3.689 4.487 1.00 1.14 C ATOM 1146 CE1 HIS A 74 -17.201 4.775 4.614 1.00 1.92 C ATOM 1147 NE2 HIS A 74 -18.431 4.829 4.088 1.00 1.28 N ATOM 0 H HIS A 74 -19.500 -0.182 7.730 1.00 0.97 H new ATOM 0 HA HIS A 74 -18.207 2.481 7.892 1.00 1.06 H new ATOM 0 HB2 HIS A 74 -17.440 1.122 5.901 1.00 1.04 H new ATOM 0 HB3 HIS A 74 -19.108 1.071 5.366 1.00 1.04 H new ATOM 0 HD2 HIS A 74 -20.093 3.407 4.242 1.00 1.14 H new ATOM 0 HE1 HIS A 74 -16.448 5.536 4.476 1.00 1.92 H new ATOM 0 HE2 HIS A 74 -18.811 5.574 3.504 1.00 1.28 H new ATOM 1155 N ASP A 75 -20.512 3.371 8.156 1.00 1.43 N ATOM 1156 CA ASP A 75 -21.862 3.883 8.433 1.00 1.59 C ATOM 1157 C ASP A 75 -22.670 2.855 9.218 1.00 1.49 C ATOM 1158 O ASP A 75 -23.889 2.751 9.065 1.00 1.50 O ATOM 1159 CB ASP A 75 -22.619 4.252 7.147 1.00 1.65 C ATOM 1160 CG ASP A 75 -21.989 5.395 6.383 1.00 2.03 C ATOM 1161 OD1 ASP A 75 -21.840 6.496 6.955 1.00 2.67 O ATOM 1162 OD2 ASP A 75 -21.655 5.206 5.197 1.00 2.27 O ATOM 0 H ASP A 75 -19.763 3.943 8.546 1.00 1.43 H new ATOM 0 HA ASP A 75 -21.741 4.790 9.025 1.00 1.59 H new ATOM 0 HB2 ASP A 75 -22.668 3.376 6.500 1.00 1.65 H new ATOM 0 HB3 ASP A 75 -23.645 4.518 7.402 1.00 1.65 H new ATOM 1167 N GLY A 76 -21.973 2.079 10.042 1.00 1.43 N ATOM 1168 CA GLY A 76 -22.624 1.067 10.851 1.00 1.41 C ATOM 1169 C GLY A 76 -23.010 -0.164 10.051 1.00 1.19 C ATOM 1170 O GLY A 76 -23.768 -1.007 10.525 1.00 1.18 O ATOM 0 H GLY A 76 -20.962 2.135 10.164 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -21.959 0.774 11.663 1.00 1.41 H new ATOM 0 HA3 GLY A 76 -23.517 1.493 11.309 1.00 1.41 H new ATOM 1174 N LYS A 77 -22.505 -0.259 8.828 1.00 1.06 N ATOM 1175 CA LYS A 77 -22.782 -1.407 7.976 1.00 0.89 C ATOM 1176 C LYS A 77 -21.492 -2.152 7.673 1.00 0.77 C ATOM 1177 O LYS A 77 -20.437 -1.539 7.553 1.00 0.74 O ATOM 1178 CB LYS A 77 -23.414 -0.963 6.657 1.00 0.87 C ATOM 1179 CG LYS A 77 -24.564 0.019 6.809 1.00 1.06 C ATOM 1180 CD LYS A 77 -25.731 -0.584 7.572 1.00 1.13 C ATOM 1181 CE LYS A 77 -26.885 0.398 7.678 1.00 1.40 C ATOM 1182 NZ LYS A 77 -26.491 1.647 8.379 1.00 2.19 N ATOM 0 H LYS A 77 -21.901 0.445 8.404 1.00 1.06 H new ATOM 0 HA LYS A 77 -23.476 -2.060 8.505 1.00 0.89 H new ATOM 0 HB2 LYS A 77 -22.644 -0.508 6.035 1.00 0.87 H new ATOM 0 HB3 LYS A 77 -23.773 -1.844 6.126 1.00 0.87 H new ATOM 0 HG2 LYS A 77 -24.213 0.910 7.329 1.00 1.06 H new ATOM 0 HG3 LYS A 77 -24.902 0.337 5.823 1.00 1.06 H new ATOM 0 HD2 LYS A 77 -26.067 -1.491 7.070 1.00 1.13 H new ATOM 0 HD3 LYS A 77 -25.405 -0.875 8.571 1.00 1.13 H new ATOM 0 HE2 LYS A 77 -27.246 0.642 6.679 1.00 1.40 H new ATOM 0 HE3 LYS A 77 -27.712 -0.071 8.211 1.00 1.40 H new ATOM 0 HZ1 LYS A 77 -27.164 1.840 9.148 1.00 2.19 H new ATOM 0 HZ2 LYS A 77 -25.535 1.537 8.774 1.00 2.19 H new ATOM 0 HZ3 LYS A 77 -26.498 2.440 7.706 1.00 2.19 H new ATOM 1196 N LYS A 78 -21.571 -3.464 7.552 1.00 0.76 N ATOM 1197 CA LYS A 78 -20.407 -4.244 7.167 1.00 0.71 C ATOM 1198 C LYS A 78 -20.431 -4.534 5.677 1.00 0.61 C ATOM 1199 O LYS A 78 -21.439 -4.998 5.135 1.00 0.70 O ATOM 1200 CB LYS A 78 -20.332 -5.554 7.943 1.00 0.88 C ATOM 1201 CG LYS A 78 -20.067 -5.373 9.424 1.00 1.05 C ATOM 1202 CD LYS A 78 -19.832 -6.715 10.097 1.00 1.31 C ATOM 1203 CE LYS A 78 -19.457 -6.558 11.559 1.00 1.47 C ATOM 1204 NZ LYS A 78 -19.059 -7.855 12.163 1.00 1.55 N ATOM 0 H LYS A 78 -22.419 -4.008 7.712 1.00 0.76 H new ATOM 0 HA LYS A 78 -19.523 -3.653 7.406 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -21.269 -6.096 7.815 1.00 0.88 H new ATOM 0 HB3 LYS A 78 -19.544 -6.174 7.516 1.00 0.88 H new ATOM 0 HG2 LYS A 78 -19.197 -4.732 9.567 1.00 1.05 H new ATOM 0 HG3 LYS A 78 -20.914 -4.870 9.891 1.00 1.05 H new ATOM 0 HD2 LYS A 78 -20.733 -7.324 10.017 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -19.039 -7.249 9.574 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -18.637 -5.846 11.650 1.00 1.47 H new ATOM 0 HE3 LYS A 78 -20.302 -6.143 12.109 1.00 1.47 H new ATOM 0 HZ1 LYS A 78 -18.809 -7.711 13.162 1.00 1.55 H new ATOM 0 HZ2 LYS A 78 -19.851 -8.526 12.097 1.00 1.55 H new ATOM 0 HZ3 LYS A 78 -18.238 -8.238 11.653 1.00 1.55 H new ATOM 1218 N VAL A 79 -19.320 -4.251 5.017 1.00 0.51 N ATOM 1219 CA VAL A 79 -19.167 -4.520 3.597 1.00 0.42 C ATOM 1220 C VAL A 79 -17.745 -4.996 3.342 1.00 0.37 C ATOM 1221 O VAL A 79 -16.862 -4.780 4.177 1.00 0.38 O ATOM 1222 CB VAL A 79 -19.436 -3.263 2.729 1.00 0.35 C ATOM 1223 CG1 VAL A 79 -20.873 -2.782 2.879 1.00 0.41 C ATOM 1224 CG2 VAL A 79 -18.463 -2.144 3.071 1.00 0.34 C ATOM 0 H VAL A 79 -18.499 -3.828 5.451 1.00 0.51 H new ATOM 0 HA VAL A 79 -19.897 -5.280 3.319 1.00 0.42 H new ATOM 0 HB VAL A 79 -19.282 -3.547 1.688 1.00 0.35 H new ATOM 0 HG11 VAL A 79 -21.028 -1.900 2.258 1.00 0.41 H new ATOM 0 HG12 VAL A 79 -21.556 -3.572 2.565 1.00 0.41 H new ATOM 0 HG13 VAL A 79 -21.065 -2.530 3.922 1.00 0.41 H new ATOM 0 HG21 VAL A 79 -18.674 -1.275 2.448 1.00 0.34 H new ATOM 0 HG22 VAL A 79 -18.574 -1.873 4.121 1.00 0.34 H new ATOM 0 HG23 VAL A 79 -17.442 -2.481 2.890 1.00 0.34 H new ATOM 1234 N THR A 80 -17.514 -5.633 2.208 1.00 0.34 N ATOM 1235 CA THR A 80 -16.171 -6.038 1.840 1.00 0.30 C ATOM 1236 C THR A 80 -15.549 -4.943 1.000 1.00 0.23 C ATOM 1237 O THR A 80 -16.237 -4.314 0.205 1.00 0.21 O ATOM 1238 CB THR A 80 -16.176 -7.350 1.035 1.00 0.34 C ATOM 1239 OG1 THR A 80 -17.188 -7.295 0.021 1.00 0.67 O ATOM 1240 CG2 THR A 80 -16.412 -8.548 1.941 1.00 0.65 C ATOM 0 H THR A 80 -18.235 -5.880 1.530 1.00 0.34 H new ATOM 0 HA THR A 80 -15.597 -6.204 2.752 1.00 0.30 H new ATOM 0 HB THR A 80 -15.199 -7.467 0.566 1.00 0.34 H new ATOM 0 HG1 THR A 80 -17.186 -8.132 -0.489 1.00 0.67 H new ATOM 0 HG21 THR A 80 -16.410 -9.461 1.345 1.00 0.65 H new ATOM 0 HG22 THR A 80 -15.620 -8.601 2.688 1.00 0.65 H new ATOM 0 HG23 THR A 80 -17.375 -8.442 2.440 1.00 0.65 H new ATOM 1248 N ILE A 81 -14.254 -4.723 1.171 1.00 0.24 N ATOM 1249 CA ILE A 81 -13.551 -3.665 0.452 1.00 0.23 C ATOM 1250 C ILE A 81 -13.641 -3.874 -1.063 1.00 0.20 C ATOM 1251 O ILE A 81 -13.620 -2.914 -1.835 1.00 0.22 O ATOM 1252 CB ILE A 81 -12.077 -3.584 0.909 1.00 0.28 C ATOM 1253 CG1 ILE A 81 -12.004 -3.172 2.377 1.00 0.37 C ATOM 1254 CG2 ILE A 81 -11.286 -2.609 0.057 1.00 0.32 C ATOM 1255 CD1 ILE A 81 -10.635 -3.350 2.986 1.00 0.71 C ATOM 0 H ILE A 81 -13.665 -5.264 1.804 1.00 0.24 H new ATOM 0 HA ILE A 81 -14.035 -2.717 0.687 1.00 0.23 H new ATOM 0 HB ILE A 81 -11.635 -4.573 0.789 1.00 0.28 H new ATOM 0 HG12 ILE A 81 -12.300 -2.127 2.468 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -12.725 -3.758 2.947 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -10.254 -2.576 0.405 1.00 0.32 H new ATOM 0 HG22 ILE A 81 -11.308 -2.934 -0.983 1.00 0.32 H new ATOM 0 HG23 ILE A 81 -11.727 -1.616 0.136 1.00 0.32 H new ATOM 0 HD11 ILE A 81 -10.658 -3.038 4.030 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.344 -4.399 2.927 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.913 -2.742 2.441 1.00 0.71 H new ATOM 1267 N ALA A 82 -13.779 -5.128 -1.481 1.00 0.17 N ATOM 1268 CA ALA A 82 -13.947 -5.446 -2.894 1.00 0.17 C ATOM 1269 C ALA A 82 -15.238 -4.836 -3.442 1.00 0.18 C ATOM 1270 O ALA A 82 -15.226 -4.146 -4.462 1.00 0.21 O ATOM 1271 CB ALA A 82 -13.940 -6.953 -3.097 1.00 0.17 C ATOM 0 H ALA A 82 -13.778 -5.939 -0.863 1.00 0.17 H new ATOM 0 HA ALA A 82 -13.111 -5.014 -3.445 1.00 0.17 H new ATOM 0 HB1 ALA A 82 -14.066 -7.178 -4.156 1.00 0.17 H new ATOM 0 HB2 ALA A 82 -12.992 -7.363 -2.750 1.00 0.17 H new ATOM 0 HB3 ALA A 82 -14.757 -7.400 -2.531 1.00 0.17 H new ATOM 1277 N SER A 83 -16.347 -5.068 -2.749 1.00 0.18 N ATOM 1278 CA SER A 83 -17.631 -4.519 -3.161 1.00 0.20 C ATOM 1279 C SER A 83 -17.687 -3.024 -2.858 1.00 0.21 C ATOM 1280 O SER A 83 -18.320 -2.244 -3.573 1.00 0.25 O ATOM 1281 CB SER A 83 -18.765 -5.248 -2.440 1.00 0.23 C ATOM 1282 OG SER A 83 -20.033 -4.804 -2.890 1.00 1.11 O ATOM 0 H SER A 83 -16.382 -5.632 -1.900 1.00 0.18 H new ATOM 0 HA SER A 83 -17.748 -4.660 -4.235 1.00 0.20 H new ATOM 0 HB2 SER A 83 -18.673 -6.321 -2.606 1.00 0.23 H new ATOM 0 HB3 SER A 83 -18.680 -5.084 -1.366 1.00 0.23 H new ATOM 0 HG SER A 83 -20.738 -5.289 -2.412 1.00 1.11 H new ATOM 1288 N TYR A 84 -17.002 -2.647 -1.793 1.00 0.21 N ATOM 1289 CA TYR A 84 -16.936 -1.273 -1.326 1.00 0.24 C ATOM 1290 C TYR A 84 -16.346 -0.353 -2.394 1.00 0.25 C ATOM 1291 O TYR A 84 -16.902 0.704 -2.682 1.00 0.30 O ATOM 1292 CB TYR A 84 -16.117 -1.251 -0.031 1.00 0.25 C ATOM 1293 CG TYR A 84 -15.579 0.094 0.396 1.00 0.28 C ATOM 1294 CD1 TYR A 84 -16.455 1.134 0.659 1.00 0.31 C ATOM 1295 CD2 TYR A 84 -14.217 0.331 0.516 1.00 0.31 C ATOM 1296 CE1 TYR A 84 -15.999 2.378 1.026 1.00 0.38 C ATOM 1297 CE2 TYR A 84 -13.745 1.576 0.890 1.00 0.37 C ATOM 1298 CZ TYR A 84 -14.541 2.534 1.215 1.00 0.39 C ATOM 1299 OH TYR A 84 -14.177 3.840 1.511 1.00 0.49 O ATOM 0 H TYR A 84 -16.467 -3.298 -1.218 1.00 0.21 H new ATOM 0 HA TYR A 84 -17.939 -0.896 -1.125 1.00 0.24 H new ATOM 0 HB2 TYR A 84 -16.739 -1.642 0.774 1.00 0.25 H new ATOM 0 HB3 TYR A 84 -15.276 -1.935 -0.146 1.00 0.25 H new ATOM 0 HD1 TYR A 84 -17.518 0.964 0.574 1.00 0.31 H new ATOM 0 HD2 TYR A 84 -13.517 -0.466 0.315 1.00 0.31 H new ATOM 0 HE1 TYR A 84 -16.677 3.206 1.170 1.00 0.38 H new ATOM 0 HE2 TYR A 84 -12.679 1.749 0.910 1.00 0.37 H new ATOM 0 HH TYR A 84 -13.205 3.890 1.627 1.00 0.49 H new ATOM 1309 N PHE A 85 -15.231 -0.755 -2.987 1.00 0.22 N ATOM 1310 CA PHE A 85 -14.645 0.019 -4.073 1.00 0.23 C ATOM 1311 C PHE A 85 -15.434 -0.155 -5.361 1.00 0.25 C ATOM 1312 O PHE A 85 -15.604 0.795 -6.122 1.00 0.28 O ATOM 1313 CB PHE A 85 -13.182 -0.357 -4.295 1.00 0.22 C ATOM 1314 CG PHE A 85 -12.254 0.370 -3.377 1.00 0.25 C ATOM 1315 CD1 PHE A 85 -11.954 -0.138 -2.130 1.00 0.35 C ATOM 1316 CD2 PHE A 85 -11.691 1.573 -3.762 1.00 0.48 C ATOM 1317 CE1 PHE A 85 -11.106 0.538 -1.279 1.00 0.39 C ATOM 1318 CE2 PHE A 85 -10.842 2.256 -2.915 1.00 0.54 C ATOM 1319 CZ PHE A 85 -10.549 1.736 -1.671 1.00 0.39 C ATOM 0 H PHE A 85 -14.719 -1.602 -2.739 1.00 0.22 H new ATOM 0 HA PHE A 85 -14.689 1.069 -3.782 1.00 0.23 H new ATOM 0 HB2 PHE A 85 -13.061 -1.431 -4.151 1.00 0.22 H new ATOM 0 HB3 PHE A 85 -12.908 -0.141 -5.328 1.00 0.22 H new ATOM 0 HD1 PHE A 85 -12.388 -1.076 -1.817 1.00 0.35 H new ATOM 0 HD2 PHE A 85 -11.918 1.982 -4.735 1.00 0.48 H new ATOM 0 HE1 PHE A 85 -10.878 0.129 -0.306 1.00 0.39 H new ATOM 0 HE2 PHE A 85 -10.408 3.195 -3.225 1.00 0.54 H new ATOM 0 HZ PHE A 85 -9.884 2.267 -1.006 1.00 0.39 H new ATOM 1329 N HIS A 86 -15.927 -1.365 -5.595 1.00 0.24 N ATOM 1330 CA HIS A 86 -16.666 -1.665 -6.816 1.00 0.29 C ATOM 1331 C HIS A 86 -17.896 -0.766 -6.949 1.00 0.31 C ATOM 1332 O HIS A 86 -18.135 -0.182 -8.006 1.00 0.36 O ATOM 1333 CB HIS A 86 -17.081 -3.138 -6.840 1.00 0.31 C ATOM 1334 CG HIS A 86 -17.687 -3.563 -8.141 1.00 0.61 C ATOM 1335 ND1 HIS A 86 -18.979 -4.017 -8.216 1.00 1.62 N ATOM 1336 CD2 HIS A 86 -17.139 -3.581 -9.380 1.00 0.88 C ATOM 1337 CE1 HIS A 86 -19.190 -4.294 -9.494 1.00 1.76 C ATOM 1338 NE2 HIS A 86 -18.104 -4.046 -10.235 1.00 1.19 N ATOM 0 H HIS A 86 -15.829 -2.154 -4.956 1.00 0.24 H new ATOM 0 HA HIS A 86 -16.009 -1.470 -7.664 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -16.208 -3.757 -6.635 1.00 0.31 H new ATOM 0 HB3 HIS A 86 -17.796 -3.320 -6.038 1.00 0.31 H new ATOM 0 HD2 HIS A 86 -16.134 -3.286 -9.643 1.00 0.88 H new ATOM 0 HE1 HIS A 86 -20.122 -4.672 -9.888 1.00 1.76 H new ATOM 0 HE2 HIS A 86 -18.012 -4.178 -11.242 1.00 1.19 H new ATOM 1346 N SER A 87 -18.658 -0.642 -5.870 1.00 0.33 N ATOM 1347 CA SER A 87 -19.854 0.196 -5.862 1.00 0.37 C ATOM 1348 C SER A 87 -19.480 1.673 -5.968 1.00 0.36 C ATOM 1349 O SER A 87 -20.239 2.489 -6.488 1.00 0.44 O ATOM 1350 CB SER A 87 -20.651 -0.065 -4.584 1.00 0.44 C ATOM 1351 OG SER A 87 -19.814 0.010 -3.440 1.00 1.34 O ATOM 0 H SER A 87 -18.469 -1.112 -4.985 1.00 0.33 H new ATOM 0 HA SER A 87 -20.469 -0.056 -6.726 1.00 0.37 H new ATOM 0 HB2 SER A 87 -21.457 0.664 -4.498 1.00 0.44 H new ATOM 0 HB3 SER A 87 -21.116 -1.050 -4.635 1.00 0.44 H new ATOM 0 HG SER A 87 -19.337 -0.839 -3.327 1.00 1.34 H new ATOM 1357 N ARG A 88 -18.290 2.000 -5.483 1.00 0.32 N ATOM 1358 CA ARG A 88 -17.778 3.363 -5.548 1.00 0.36 C ATOM 1359 C ARG A 88 -17.040 3.604 -6.865 1.00 0.38 C ATOM 1360 O ARG A 88 -16.300 4.578 -7.006 1.00 0.47 O ATOM 1361 CB ARG A 88 -16.884 3.675 -4.347 1.00 0.44 C ATOM 1362 CG ARG A 88 -17.663 4.152 -3.123 1.00 0.83 C ATOM 1363 CD ARG A 88 -18.693 3.127 -2.669 1.00 1.10 C ATOM 1364 NE ARG A 88 -19.583 3.655 -1.638 1.00 1.79 N ATOM 1365 CZ ARG A 88 -20.657 3.011 -1.179 1.00 2.33 C ATOM 1366 NH1 ARG A 88 -20.951 1.795 -1.620 1.00 2.20 N ATOM 1367 NH2 ARG A 88 -21.435 3.583 -0.268 1.00 3.30 N ATOM 0 H ARG A 88 -17.657 1.336 -5.037 1.00 0.32 H new ATOM 0 HA ARG A 88 -18.628 4.044 -5.511 1.00 0.36 H new ATOM 0 HB2 ARG A 88 -16.317 2.782 -4.083 1.00 0.44 H new ATOM 0 HB3 ARG A 88 -16.161 4.440 -4.630 1.00 0.44 H new ATOM 0 HG2 ARG A 88 -16.969 4.354 -2.307 1.00 0.83 H new ATOM 0 HG3 ARG A 88 -18.164 5.092 -3.356 1.00 0.83 H new ATOM 0 HD2 ARG A 88 -19.284 2.805 -3.526 1.00 1.10 H new ATOM 0 HD3 ARG A 88 -18.180 2.245 -2.286 1.00 1.10 H new ATOM 0 HE ARG A 88 -19.370 4.572 -1.245 1.00 1.79 H new ATOM 0 HH11 ARG A 88 -20.354 1.346 -2.315 1.00 2.20 H new ATOM 0 HH12 ARG A 88 -21.774 1.309 -1.264 1.00 2.20 H new ATOM 0 HH21 ARG A 88 -21.211 4.515 0.081 1.00 3.30 H new ATOM 0 HH22 ARG A 88 -22.256 3.090 0.083 1.00 3.30 H new ATOM 1381 N ASN A 89 -17.243 2.679 -7.807 1.00 0.37 N ATOM 1382 CA ASN A 89 -16.788 2.824 -9.192 1.00 0.44 C ATOM 1383 C ASN A 89 -15.284 2.616 -9.343 1.00 0.48 C ATOM 1384 O ASN A 89 -14.643 3.262 -10.172 1.00 0.66 O ATOM 1385 CB ASN A 89 -17.193 4.188 -9.772 1.00 0.51 C ATOM 1386 CG ASN A 89 -18.696 4.330 -9.934 1.00 1.01 C ATOM 1387 OD1 ASN A 89 -19.407 3.347 -10.150 1.00 1.58 O ATOM 1388 ND2 ASN A 89 -19.192 5.550 -9.818 1.00 1.87 N ATOM 0 H ASN A 89 -17.732 1.802 -7.628 1.00 0.37 H new ATOM 0 HA ASN A 89 -17.285 2.036 -9.758 1.00 0.44 H new ATOM 0 HB2 ASN A 89 -16.825 4.980 -9.120 1.00 0.51 H new ATOM 0 HB3 ASN A 89 -16.712 4.324 -10.741 1.00 0.51 H new ATOM 0 HD21 ASN A 89 -20.197 5.703 -9.907 1.00 1.87 H new ATOM 0 HD22 ASN A 89 -18.570 6.338 -9.639 1.00 1.87 H new ATOM 1395 N TYR A 90 -14.722 1.709 -8.557 1.00 0.36 N ATOM 1396 CA TYR A 90 -13.342 1.295 -8.761 1.00 0.36 C ATOM 1397 C TYR A 90 -13.202 -0.209 -8.578 1.00 0.33 C ATOM 1398 O TYR A 90 -13.144 -0.704 -7.456 1.00 0.30 O ATOM 1399 CB TYR A 90 -12.378 2.012 -7.816 1.00 0.37 C ATOM 1400 CG TYR A 90 -10.924 1.745 -8.161 1.00 0.42 C ATOM 1401 CD1 TYR A 90 -10.281 2.499 -9.132 1.00 0.57 C ATOM 1402 CD2 TYR A 90 -10.203 0.729 -7.537 1.00 0.42 C ATOM 1403 CE1 TYR A 90 -8.963 2.259 -9.470 1.00 0.66 C ATOM 1404 CE2 TYR A 90 -8.881 0.481 -7.872 1.00 0.51 C ATOM 1405 CZ TYR A 90 -8.268 1.252 -8.838 1.00 0.61 C ATOM 1406 OH TYR A 90 -6.955 1.016 -9.173 1.00 0.73 O ATOM 0 H TYR A 90 -15.195 1.249 -7.779 1.00 0.36 H new ATOM 0 HA TYR A 90 -13.080 1.568 -9.783 1.00 0.36 H new ATOM 0 HB2 TYR A 90 -12.567 3.085 -7.854 1.00 0.37 H new ATOM 0 HB3 TYR A 90 -12.571 1.691 -6.792 1.00 0.37 H new ATOM 0 HD1 TYR A 90 -10.821 3.289 -9.633 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -10.682 0.125 -6.780 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -8.480 2.859 -10.227 1.00 0.66 H new ATOM 0 HE2 TYR A 90 -8.335 -0.310 -7.380 1.00 0.51 H new ATOM 0 HH TYR A 90 -6.536 1.853 -9.462 1.00 0.73 H new ATOM 1416 N PRO A 91 -13.168 -0.955 -9.684 1.00 0.38 N ATOM 1417 CA PRO A 91 -12.915 -2.391 -9.649 1.00 0.38 C ATOM 1418 C PRO A 91 -11.429 -2.690 -9.425 1.00 0.36 C ATOM 1419 O PRO A 91 -10.564 -2.191 -10.149 1.00 0.45 O ATOM 1420 CB PRO A 91 -13.378 -2.855 -11.031 1.00 0.45 C ATOM 1421 CG PRO A 91 -13.164 -1.677 -11.914 1.00 0.50 C ATOM 1422 CD PRO A 91 -13.385 -0.460 -11.055 1.00 0.47 C ATOM 0 HA PRO A 91 -13.430 -2.898 -8.833 1.00 0.38 H new ATOM 0 HB2 PRO A 91 -12.804 -3.716 -11.373 1.00 0.45 H new ATOM 0 HB3 PRO A 91 -14.426 -3.155 -11.018 1.00 0.45 H new ATOM 0 HG2 PRO A 91 -12.157 -1.681 -12.331 1.00 0.50 H new ATOM 0 HG3 PRO A 91 -13.857 -1.690 -12.755 1.00 0.50 H new ATOM 0 HD2 PRO A 91 -12.688 0.340 -11.307 1.00 0.47 H new ATOM 0 HD3 PRO A 91 -14.390 -0.058 -11.181 1.00 0.47 H new ATOM 1430 N LEU A 92 -11.140 -3.492 -8.413 1.00 0.32 N ATOM 1431 CA LEU A 92 -9.765 -3.810 -8.053 1.00 0.32 C ATOM 1432 C LEU A 92 -9.149 -4.773 -9.057 1.00 0.30 C ATOM 1433 O LEU A 92 -9.796 -5.723 -9.503 1.00 0.30 O ATOM 1434 CB LEU A 92 -9.713 -4.426 -6.653 1.00 0.34 C ATOM 1435 CG LEU A 92 -10.281 -3.560 -5.526 1.00 0.33 C ATOM 1436 CD1 LEU A 92 -10.252 -4.315 -4.205 1.00 0.39 C ATOM 1437 CD2 LEU A 92 -9.503 -2.257 -5.412 1.00 0.32 C ATOM 0 H LEU A 92 -11.842 -3.937 -7.823 1.00 0.32 H new ATOM 0 HA LEU A 92 -9.192 -2.883 -8.062 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -10.258 -5.370 -6.671 1.00 0.34 H new ATOM 0 HB3 LEU A 92 -8.675 -4.661 -6.418 1.00 0.34 H new ATOM 0 HG LEU A 92 -11.318 -3.323 -5.764 1.00 0.33 H new ATOM 0 HD11 LEU A 92 -10.660 -3.683 -3.416 1.00 0.39 H new ATOM 0 HD12 LEU A 92 -10.852 -5.221 -4.291 1.00 0.39 H new ATOM 0 HD13 LEU A 92 -9.224 -4.582 -3.961 1.00 0.39 H new ATOM 0 HD21 LEU A 92 -9.920 -1.653 -4.606 1.00 0.32 H new ATOM 0 HD22 LEU A 92 -8.457 -2.475 -5.198 1.00 0.32 H new ATOM 0 HD23 LEU A 92 -9.574 -1.708 -6.351 1.00 0.32 H new ATOM 1449 N LYS A 93 -7.899 -4.514 -9.415 1.00 0.30 N ATOM 1450 CA LYS A 93 -7.186 -5.373 -10.342 1.00 0.30 C ATOM 1451 C LYS A 93 -6.741 -6.648 -9.644 1.00 0.31 C ATOM 1452 O LYS A 93 -6.476 -7.667 -10.285 1.00 0.36 O ATOM 1453 CB LYS A 93 -5.994 -4.645 -10.951 1.00 0.38 C ATOM 1454 CG LYS A 93 -6.355 -3.299 -11.563 1.00 0.53 C ATOM 1455 CD LYS A 93 -5.281 -2.807 -12.522 1.00 0.84 C ATOM 1456 CE LYS A 93 -3.905 -2.762 -11.877 1.00 1.06 C ATOM 1457 NZ LYS A 93 -2.880 -2.227 -12.813 1.00 1.55 N ATOM 0 H LYS A 93 -7.361 -3.716 -9.077 1.00 0.30 H new ATOM 0 HA LYS A 93 -7.864 -5.641 -11.153 1.00 0.30 H new ATOM 0 HB2 LYS A 93 -5.238 -4.494 -10.181 1.00 0.38 H new ATOM 0 HB3 LYS A 93 -5.546 -5.276 -11.718 1.00 0.38 H new ATOM 0 HG2 LYS A 93 -7.304 -3.384 -12.093 1.00 0.53 H new ATOM 0 HG3 LYS A 93 -6.497 -2.565 -10.769 1.00 0.53 H new ATOM 0 HD2 LYS A 93 -5.249 -3.460 -13.394 1.00 0.84 H new ATOM 0 HD3 LYS A 93 -5.545 -1.811 -12.879 1.00 0.84 H new ATOM 0 HE2 LYS A 93 -3.942 -2.140 -10.982 1.00 1.06 H new ATOM 0 HE3 LYS A 93 -3.619 -3.764 -11.557 1.00 1.06 H new ATOM 0 HZ1 LYS A 93 -1.954 -2.210 -12.341 1.00 1.55 H new ATOM 0 HZ2 LYS A 93 -2.828 -2.835 -13.655 1.00 1.55 H new ATOM 0 HZ3 LYS A 93 -3.141 -1.261 -13.098 1.00 1.55 H new ATOM 1471 N PHE A 94 -6.667 -6.581 -8.321 1.00 0.35 N ATOM 1472 CA PHE A 94 -6.382 -7.745 -7.498 1.00 0.44 C ATOM 1473 C PHE A 94 -7.292 -7.725 -6.271 1.00 0.44 C ATOM 1474 O PHE A 94 -6.839 -7.420 -5.174 1.00 0.48 O ATOM 1475 CB PHE A 94 -4.924 -7.761 -7.016 1.00 0.58 C ATOM 1476 CG PHE A 94 -3.894 -7.350 -8.033 1.00 0.58 C ATOM 1477 CD1 PHE A 94 -3.313 -8.278 -8.888 1.00 0.70 C ATOM 1478 CD2 PHE A 94 -3.471 -6.032 -8.098 1.00 0.57 C ATOM 1479 CE1 PHE A 94 -2.341 -7.890 -9.791 1.00 0.77 C ATOM 1480 CE2 PHE A 94 -2.495 -5.646 -8.992 1.00 0.61 C ATOM 1481 CZ PHE A 94 -1.932 -6.573 -9.842 1.00 0.70 C ATOM 0 H PHE A 94 -6.803 -5.720 -7.791 1.00 0.35 H new ATOM 0 HA PHE A 94 -6.556 -8.632 -8.107 1.00 0.44 H new ATOM 0 HB2 PHE A 94 -4.839 -7.100 -6.153 1.00 0.58 H new ATOM 0 HB3 PHE A 94 -4.686 -8.767 -6.672 1.00 0.58 H new ATOM 0 HD1 PHE A 94 -3.623 -9.312 -8.847 1.00 0.70 H new ATOM 0 HD2 PHE A 94 -3.912 -5.298 -7.440 1.00 0.57 H new ATOM 0 HE1 PHE A 94 -1.901 -8.618 -10.457 1.00 0.77 H new ATOM 0 HE2 PHE A 94 -2.171 -4.616 -9.026 1.00 0.61 H new ATOM 0 HZ PHE A 94 -1.172 -6.269 -10.547 1.00 0.70 H new ATOM 1491 N PRO A 95 -8.589 -8.023 -6.438 1.00 0.45 N ATOM 1492 CA PRO A 95 -9.556 -8.050 -5.325 1.00 0.52 C ATOM 1493 C PRO A 95 -9.086 -8.900 -4.145 1.00 0.51 C ATOM 1494 O PRO A 95 -9.489 -8.676 -3.003 1.00 0.55 O ATOM 1495 CB PRO A 95 -10.797 -8.682 -5.954 1.00 0.66 C ATOM 1496 CG PRO A 95 -10.695 -8.366 -7.406 1.00 0.57 C ATOM 1497 CD PRO A 95 -9.228 -8.322 -7.728 1.00 0.45 C ATOM 0 HA PRO A 95 -9.714 -7.054 -4.912 1.00 0.52 H new ATOM 0 HB2 PRO A 95 -10.821 -9.759 -5.785 1.00 0.66 H new ATOM 0 HB3 PRO A 95 -11.710 -8.271 -5.524 1.00 0.66 H new ATOM 0 HG2 PRO A 95 -11.202 -9.123 -8.005 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -11.171 -7.411 -7.630 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -8.880 -9.271 -8.135 1.00 0.45 H new ATOM 0 HD3 PRO A 95 -9.005 -7.556 -8.471 1.00 0.45 H new ATOM 1505 N GLN A 96 -8.217 -9.862 -4.428 1.00 0.56 N ATOM 1506 CA GLN A 96 -7.731 -10.782 -3.411 1.00 0.70 C ATOM 1507 C GLN A 96 -6.409 -10.308 -2.808 1.00 0.75 C ATOM 1508 O GLN A 96 -5.619 -11.116 -2.328 1.00 0.96 O ATOM 1509 CB GLN A 96 -7.550 -12.174 -4.010 1.00 0.83 C ATOM 1510 CG GLN A 96 -8.824 -12.769 -4.583 1.00 0.93 C ATOM 1511 CD GLN A 96 -8.573 -14.082 -5.294 1.00 1.70 C ATOM 1512 OE1 GLN A 96 -7.502 -14.300 -5.863 1.00 2.40 O ATOM 1513 NE2 GLN A 96 -9.554 -14.967 -5.263 1.00 2.31 N ATOM 0 H GLN A 96 -7.833 -10.025 -5.359 1.00 0.56 H new ATOM 0 HA GLN A 96 -8.474 -10.817 -2.614 1.00 0.70 H new ATOM 0 HB2 GLN A 96 -6.798 -12.125 -4.797 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -7.163 -12.842 -3.241 1.00 0.83 H new ATOM 0 HG2 GLN A 96 -9.544 -12.925 -3.779 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -9.273 -12.061 -5.280 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -10.425 -14.746 -4.780 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -9.440 -15.871 -5.722 1.00 2.31 H new ATOM 1522 N LEU A 97 -6.158 -9.007 -2.841 1.00 0.67 N ATOM 1523 CA LEU A 97 -4.954 -8.472 -2.220 1.00 0.81 C ATOM 1524 C LEU A 97 -5.213 -8.167 -0.751 1.00 0.61 C ATOM 1525 O LEU A 97 -6.333 -7.823 -0.363 1.00 0.55 O ATOM 1526 CB LEU A 97 -4.433 -7.225 -2.970 1.00 1.09 C ATOM 1527 CG LEU A 97 -5.358 -5.998 -3.021 1.00 1.70 C ATOM 1528 CD1 LEU A 97 -5.310 -5.216 -1.717 1.00 2.43 C ATOM 1529 CD2 LEU A 97 -4.969 -5.094 -4.179 1.00 2.44 C ATOM 0 H LEU A 97 -6.760 -8.312 -3.283 1.00 0.67 H new ATOM 0 HA LEU A 97 -4.173 -9.230 -2.283 1.00 0.81 H new ATOM 0 HB2 LEU A 97 -3.494 -6.921 -2.508 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -4.204 -7.518 -3.995 1.00 1.09 H new ATOM 0 HG LEU A 97 -6.378 -6.354 -3.168 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -5.975 -4.355 -1.785 1.00 2.43 H new ATOM 0 HD12 LEU A 97 -5.630 -5.858 -0.896 1.00 2.43 H new ATOM 0 HD13 LEU A 97 -4.291 -4.875 -1.535 1.00 2.43 H new ATOM 0 HD21 LEU A 97 -5.632 -4.229 -4.204 1.00 2.44 H new ATOM 0 HD22 LEU A 97 -3.940 -4.759 -4.049 1.00 2.44 H new ATOM 0 HD23 LEU A 97 -5.056 -5.645 -5.116 1.00 2.44 H new ATOM 1541 N HIS A 98 -4.180 -8.330 0.058 1.00 0.58 N ATOM 1542 CA HIS A 98 -4.254 -8.049 1.483 1.00 0.51 C ATOM 1543 C HIS A 98 -4.475 -6.565 1.736 1.00 0.54 C ATOM 1544 O HIS A 98 -3.813 -5.710 1.137 1.00 0.68 O ATOM 1545 CB HIS A 98 -2.978 -8.519 2.175 1.00 0.53 C ATOM 1546 CG HIS A 98 -2.792 -10.001 2.117 1.00 0.54 C ATOM 1547 ND1 HIS A 98 -2.450 -10.638 0.949 1.00 0.71 N ATOM 1548 CD2 HIS A 98 -2.931 -10.919 3.094 1.00 0.56 C ATOM 1549 CE1 HIS A 98 -2.393 -11.923 1.241 1.00 0.74 C ATOM 1550 NE2 HIS A 98 -2.674 -12.144 2.531 1.00 0.65 N ATOM 0 H HIS A 98 -3.267 -8.661 -0.253 1.00 0.58 H new ATOM 0 HA HIS A 98 -5.104 -8.592 1.896 1.00 0.51 H new ATOM 0 HB2 HIS A 98 -2.120 -8.033 1.711 1.00 0.53 H new ATOM 0 HB3 HIS A 98 -2.999 -8.202 3.218 1.00 0.53 H new ATOM 0 HD2 HIS A 98 -3.194 -10.727 4.124 1.00 0.56 H new ATOM 0 HE1 HIS A 98 -2.150 -12.698 0.530 1.00 0.74 H new ATOM 0 HE2 HIS A 98 -2.693 -13.048 3.004 1.00 0.65 H new ATOM 1558 N CYS A 99 -5.415 -6.276 2.622 1.00 0.46 N ATOM 1559 CA CYS A 99 -5.808 -4.909 2.932 1.00 0.52 C ATOM 1560 C CYS A 99 -4.660 -4.129 3.556 1.00 0.45 C ATOM 1561 O CYS A 99 -4.030 -4.597 4.510 1.00 0.53 O ATOM 1562 CB CYS A 99 -6.989 -4.930 3.893 1.00 0.64 C ATOM 1563 SG CYS A 99 -8.322 -6.035 3.383 1.00 0.55 S ATOM 0 H CYS A 99 -5.928 -6.983 3.148 1.00 0.46 H new ATOM 0 HA CYS A 99 -6.087 -4.414 2.002 1.00 0.52 H new ATOM 0 HB2 CYS A 99 -6.637 -5.231 4.880 1.00 0.64 H new ATOM 0 HB3 CYS A 99 -7.385 -3.919 3.990 1.00 0.64 H new ATOM 0 HG CYS A 99 -7.985 -7.265 3.633 1.00 0.55 H new ATOM 1569 N LEU A 100 -4.392 -2.944 3.020 1.00 0.34 N ATOM 1570 CA LEU A 100 -3.407 -2.064 3.611 1.00 0.30 C ATOM 1571 C LEU A 100 -4.012 -1.413 4.834 1.00 0.29 C ATOM 1572 O LEU A 100 -5.121 -0.885 4.774 1.00 0.28 O ATOM 1573 CB LEU A 100 -2.942 -1.008 2.610 1.00 0.31 C ATOM 1574 CG LEU A 100 -2.086 0.125 3.178 1.00 0.33 C ATOM 1575 CD1 LEU A 100 -0.810 -0.431 3.777 1.00 0.40 C ATOM 1576 CD2 LEU A 100 -1.761 1.137 2.090 1.00 0.40 C ATOM 0 H LEU A 100 -4.843 -2.577 2.182 1.00 0.34 H new ATOM 0 HA LEU A 100 -2.530 -2.644 3.899 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -2.374 -1.506 1.824 1.00 0.31 H new ATOM 0 HB3 LEU A 100 -3.822 -0.570 2.139 1.00 0.31 H new ATOM 0 HG LEU A 100 -2.650 0.628 3.964 1.00 0.33 H new ATOM 0 HD11 LEU A 100 -0.210 0.386 4.178 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -1.057 -1.127 4.579 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -0.243 -0.953 3.006 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -1.151 1.938 2.508 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -1.212 0.645 1.287 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -2.686 1.555 1.694 1.00 0.40 H new ATOM 1588 N ASN A 101 -3.294 -1.457 5.935 1.00 0.30 N ATOM 1589 CA ASN A 101 -3.815 -0.939 7.177 1.00 0.32 C ATOM 1590 C ASN A 101 -3.065 0.329 7.540 1.00 0.30 C ATOM 1591 O ASN A 101 -1.924 0.285 8.018 1.00 0.35 O ATOM 1592 CB ASN A 101 -3.694 -1.985 8.290 1.00 0.38 C ATOM 1593 CG ASN A 101 -4.440 -1.597 9.556 1.00 0.44 C ATOM 1594 OD1 ASN A 101 -4.594 -0.419 9.874 1.00 1.01 O ATOM 1595 ND2 ASN A 101 -4.913 -2.593 10.294 1.00 0.89 N ATOM 0 H ASN A 101 -2.352 -1.845 5.994 1.00 0.30 H new ATOM 0 HA ASN A 101 -4.873 -0.706 7.058 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -4.077 -2.939 7.927 1.00 0.38 H new ATOM 0 HB3 ASN A 101 -2.641 -2.134 8.527 1.00 0.38 H new ATOM 0 HD21 ASN A 101 -5.422 -2.393 11.155 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -4.767 -3.559 10.001 1.00 0.89 H new ATOM 1602 N VAL A 102 -3.700 1.453 7.272 1.00 0.26 N ATOM 1603 CA VAL A 102 -3.110 2.752 7.532 1.00 0.25 C ATOM 1604 C VAL A 102 -3.899 3.498 8.594 1.00 0.32 C ATOM 1605 O VAL A 102 -5.017 3.113 8.937 1.00 0.36 O ATOM 1606 CB VAL A 102 -3.031 3.611 6.252 1.00 0.21 C ATOM 1607 CG1 VAL A 102 -2.037 3.015 5.269 1.00 0.21 C ATOM 1608 CG2 VAL A 102 -4.400 3.749 5.605 1.00 0.22 C ATOM 0 H VAL A 102 -4.636 1.492 6.869 1.00 0.26 H new ATOM 0 HA VAL A 102 -2.096 2.576 7.890 1.00 0.25 H new ATOM 0 HB VAL A 102 -2.686 4.606 6.534 1.00 0.21 H new ATOM 0 HG11 VAL A 102 -1.995 3.634 4.373 1.00 0.21 H new ATOM 0 HG12 VAL A 102 -1.050 2.975 5.729 1.00 0.21 H new ATOM 0 HG13 VAL A 102 -2.352 2.007 4.999 1.00 0.21 H new ATOM 0 HG21 VAL A 102 -4.317 4.359 4.705 1.00 0.22 H new ATOM 0 HG22 VAL A 102 -4.779 2.762 5.341 1.00 0.22 H new ATOM 0 HG23 VAL A 102 -5.087 4.226 6.304 1.00 0.22 H new ATOM 1618 N GLY A 103 -3.301 4.543 9.137 1.00 0.38 N ATOM 1619 CA GLY A 103 -3.996 5.366 10.097 1.00 0.50 C ATOM 1620 C GLY A 103 -3.465 5.189 11.500 1.00 0.65 C ATOM 1621 O GLY A 103 -2.421 5.743 11.850 1.00 0.90 O ATOM 0 H GLY A 103 -2.346 4.836 8.930 1.00 0.38 H new ATOM 0 HA2 GLY A 103 -3.906 6.413 9.807 1.00 0.50 H new ATOM 0 HA3 GLY A 103 -5.058 5.121 10.080 1.00 0.50 H new ATOM 1625 N SER A 104 -4.185 4.435 12.314 1.00 0.67 N ATOM 1626 CA SER A 104 -3.777 4.192 13.685 1.00 0.79 C ATOM 1627 C SER A 104 -4.243 2.819 14.152 1.00 0.79 C ATOM 1628 O SER A 104 -4.961 2.128 13.432 1.00 0.74 O ATOM 1629 CB SER A 104 -4.328 5.285 14.600 1.00 0.99 C ATOM 1630 OG SER A 104 -3.818 6.558 14.234 1.00 1.69 O ATOM 0 H SER A 104 -5.058 3.980 12.047 1.00 0.67 H new ATOM 0 HA SER A 104 -2.688 4.213 13.731 1.00 0.79 H new ATOM 0 HB2 SER A 104 -5.417 5.296 14.545 1.00 0.99 H new ATOM 0 HB3 SER A 104 -4.063 5.066 15.634 1.00 0.99 H new ATOM 0 HG SER A 104 -4.185 7.242 14.832 1.00 1.69 H new ATOM 1636 N SER A 105 -3.836 2.424 15.346 1.00 0.95 N ATOM 1637 CA SER A 105 -4.238 1.139 15.899 1.00 1.05 C ATOM 1638 C SER A 105 -5.694 1.166 16.371 1.00 1.13 C ATOM 1639 O SER A 105 -6.440 0.207 16.164 1.00 1.21 O ATOM 1640 CB SER A 105 -3.305 0.762 17.046 1.00 1.24 C ATOM 1641 OG SER A 105 -3.156 1.845 17.949 1.00 1.56 O ATOM 0 H SER A 105 -3.227 2.974 15.952 1.00 0.95 H new ATOM 0 HA SER A 105 -4.165 0.386 15.115 1.00 1.05 H new ATOM 0 HB2 SER A 105 -3.702 -0.106 17.573 1.00 1.24 H new ATOM 0 HB3 SER A 105 -2.331 0.476 16.650 1.00 1.24 H new ATOM 0 HG SER A 105 -2.556 1.583 18.678 1.00 1.56 H new ATOM 1647 N ILE A 106 -6.100 2.278 16.982 1.00 1.17 N ATOM 1648 CA ILE A 106 -7.453 2.411 17.518 1.00 1.29 C ATOM 1649 C ILE A 106 -8.493 2.485 16.397 1.00 1.21 C ATOM 1650 O ILE A 106 -9.635 2.065 16.570 1.00 1.34 O ATOM 1651 CB ILE A 106 -7.593 3.652 18.428 1.00 1.42 C ATOM 1652 CG1 ILE A 106 -7.168 4.922 17.684 1.00 1.33 C ATOM 1653 CG2 ILE A 106 -6.769 3.470 19.697 1.00 1.54 C ATOM 1654 CD1 ILE A 106 -7.384 6.195 18.476 1.00 1.65 C ATOM 0 H ILE A 106 -5.511 3.100 17.118 1.00 1.17 H new ATOM 0 HA ILE A 106 -7.636 1.519 18.117 1.00 1.29 H new ATOM 0 HB ILE A 106 -8.641 3.760 18.707 1.00 1.42 H new ATOM 0 HG12 ILE A 106 -6.113 4.843 17.422 1.00 1.33 H new ATOM 0 HG13 ILE A 106 -7.725 4.988 16.749 1.00 1.33 H new ATOM 0 HG21 ILE A 106 -6.876 4.351 20.330 1.00 1.54 H new ATOM 0 HG22 ILE A 106 -7.121 2.591 20.237 1.00 1.54 H new ATOM 0 HG23 ILE A 106 -5.720 3.338 19.434 1.00 1.54 H new ATOM 0 HD11 ILE A 106 -7.060 7.051 17.884 1.00 1.65 H new ATOM 0 HD12 ILE A 106 -8.442 6.299 18.716 1.00 1.65 H new ATOM 0 HD13 ILE A 106 -6.806 6.152 19.399 1.00 1.65 H new ATOM 1666 N LYS A 107 -8.092 3.020 15.250 1.00 1.03 N ATOM 1667 CA LYS A 107 -8.957 3.046 14.081 1.00 0.98 C ATOM 1668 C LYS A 107 -8.134 2.705 12.848 1.00 0.82 C ATOM 1669 O LYS A 107 -7.316 3.507 12.392 1.00 0.77 O ATOM 1670 CB LYS A 107 -9.640 4.416 13.928 1.00 1.09 C ATOM 1671 CG LYS A 107 -10.872 4.399 13.024 1.00 1.56 C ATOM 1672 CD LYS A 107 -10.509 4.324 11.546 1.00 1.87 C ATOM 1673 CE LYS A 107 -11.715 3.985 10.676 1.00 1.81 C ATOM 1674 NZ LYS A 107 -12.837 4.943 10.860 1.00 2.29 N ATOM 0 H LYS A 107 -7.174 3.441 15.106 1.00 1.03 H new ATOM 0 HA LYS A 107 -9.747 2.305 14.202 1.00 0.98 H new ATOM 0 HB2 LYS A 107 -9.931 4.778 14.914 1.00 1.09 H new ATOM 0 HB3 LYS A 107 -8.918 5.128 13.528 1.00 1.09 H new ATOM 0 HG2 LYS A 107 -11.499 3.546 13.285 1.00 1.56 H new ATOM 0 HG3 LYS A 107 -11.464 5.296 13.205 1.00 1.56 H new ATOM 0 HD2 LYS A 107 -10.089 5.278 11.227 1.00 1.87 H new ATOM 0 HD3 LYS A 107 -9.735 3.571 11.401 1.00 1.87 H new ATOM 0 HE2 LYS A 107 -11.414 3.980 9.629 1.00 1.81 H new ATOM 0 HE3 LYS A 107 -12.059 2.978 10.913 1.00 1.81 H new ATOM 0 HZ1 LYS A 107 -13.576 4.752 10.154 1.00 2.29 H new ATOM 0 HZ2 LYS A 107 -13.234 4.833 11.815 1.00 2.29 H new ATOM 0 HZ3 LYS A 107 -12.487 5.915 10.740 1.00 2.29 H new ATOM 1688 N SER A 108 -8.348 1.510 12.327 1.00 0.80 N ATOM 1689 CA SER A 108 -7.596 1.024 11.184 1.00 0.69 C ATOM 1690 C SER A 108 -8.298 1.363 9.871 1.00 0.60 C ATOM 1691 O SER A 108 -9.485 1.074 9.702 1.00 0.74 O ATOM 1692 CB SER A 108 -7.419 -0.488 11.310 1.00 0.78 C ATOM 1693 OG SER A 108 -8.662 -1.122 11.576 1.00 1.43 O ATOM 0 H SER A 108 -9.043 0.853 12.681 1.00 0.80 H new ATOM 0 HA SER A 108 -6.622 1.513 11.173 1.00 0.69 H new ATOM 0 HB2 SER A 108 -6.992 -0.886 10.390 1.00 0.78 H new ATOM 0 HB3 SER A 108 -6.714 -0.710 12.111 1.00 0.78 H new ATOM 0 HG SER A 108 -9.368 -0.693 11.049 1.00 1.43 H new ATOM 1699 N ILE A 109 -7.572 1.985 8.952 1.00 0.44 N ATOM 1700 CA ILE A 109 -8.103 2.253 7.624 1.00 0.39 C ATOM 1701 C ILE A 109 -7.604 1.190 6.663 1.00 0.35 C ATOM 1702 O ILE A 109 -6.414 1.144 6.357 1.00 0.34 O ATOM 1703 CB ILE A 109 -7.655 3.614 7.063 1.00 0.37 C ATOM 1704 CG1 ILE A 109 -7.568 4.674 8.152 1.00 0.41 C ATOM 1705 CG2 ILE A 109 -8.617 4.068 5.975 1.00 0.40 C ATOM 1706 CD1 ILE A 109 -6.713 5.844 7.732 1.00 0.42 C ATOM 0 H ILE A 109 -6.617 2.312 9.101 1.00 0.44 H new ATOM 0 HA ILE A 109 -9.189 2.253 7.718 1.00 0.39 H new ATOM 0 HB ILE A 109 -6.657 3.487 6.643 1.00 0.37 H new ATOM 0 HG12 ILE A 109 -8.570 5.026 8.397 1.00 0.41 H new ATOM 0 HG13 ILE A 109 -7.156 4.230 9.058 1.00 0.41 H new ATOM 0 HG21 ILE A 109 -8.294 5.032 5.583 1.00 0.40 H new ATOM 0 HG22 ILE A 109 -8.628 3.334 5.170 1.00 0.40 H new ATOM 0 HG23 ILE A 109 -9.619 4.164 6.392 1.00 0.40 H new ATOM 0 HD11 ILE A 109 -6.678 6.577 8.538 1.00 0.42 H new ATOM 0 HD12 ILE A 109 -5.703 5.497 7.513 1.00 0.42 H new ATOM 0 HD13 ILE A 109 -7.139 6.305 6.841 1.00 0.42 H new ATOM 1718 N LEU A 110 -8.493 0.334 6.201 1.00 0.36 N ATOM 1719 CA LEU A 110 -8.113 -0.690 5.250 1.00 0.31 C ATOM 1720 C LEU A 110 -8.411 -0.249 3.827 1.00 0.31 C ATOM 1721 O LEU A 110 -9.570 -0.101 3.438 1.00 0.37 O ATOM 1722 CB LEU A 110 -8.827 -2.010 5.547 1.00 0.34 C ATOM 1723 CG LEU A 110 -8.304 -2.789 6.754 1.00 0.43 C ATOM 1724 CD1 LEU A 110 -8.620 -2.071 8.048 1.00 0.65 C ATOM 1725 CD2 LEU A 110 -8.885 -4.194 6.772 1.00 0.83 C ATOM 0 H LEU A 110 -9.478 0.327 6.467 1.00 0.36 H new ATOM 0 HA LEU A 110 -7.039 -0.846 5.350 1.00 0.31 H new ATOM 0 HB2 LEU A 110 -9.886 -1.802 5.703 1.00 0.34 H new ATOM 0 HB3 LEU A 110 -8.753 -2.648 4.666 1.00 0.34 H new ATOM 0 HG LEU A 110 -7.220 -2.859 6.664 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -8.236 -2.649 8.888 1.00 0.65 H new ATOM 0 HD12 LEU A 110 -8.153 -1.086 8.041 1.00 0.65 H new ATOM 0 HD13 LEU A 110 -9.700 -1.960 8.148 1.00 0.65 H new ATOM 0 HD21 LEU A 110 -8.502 -4.735 7.638 1.00 0.83 H new ATOM 0 HD22 LEU A 110 -9.972 -4.138 6.831 1.00 0.83 H new ATOM 0 HD23 LEU A 110 -8.598 -4.718 5.861 1.00 0.83 H new ATOM 1737 N LEU A 111 -7.359 -0.032 3.064 1.00 0.28 N ATOM 1738 CA LEU A 111 -7.492 0.306 1.653 1.00 0.30 C ATOM 1739 C LEU A 111 -6.432 -0.421 0.833 1.00 0.30 C ATOM 1740 O LEU A 111 -5.289 -0.513 1.240 1.00 0.61 O ATOM 1741 CB LEU A 111 -7.436 1.832 1.440 1.00 0.52 C ATOM 1742 CG LEU A 111 -6.414 2.605 2.285 1.00 0.40 C ATOM 1743 CD1 LEU A 111 -5.137 2.875 1.508 1.00 0.48 C ATOM 1744 CD2 LEU A 111 -7.022 3.912 2.767 1.00 0.62 C ATOM 0 H LEU A 111 -6.396 -0.083 3.395 1.00 0.28 H new ATOM 0 HA LEU A 111 -8.470 -0.028 1.306 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -7.222 2.022 0.388 1.00 0.52 H new ATOM 0 HB3 LEU A 111 -8.426 2.241 1.643 1.00 0.52 H new ATOM 0 HG LEU A 111 -6.154 1.988 3.145 1.00 0.40 H new ATOM 0 HD11 LEU A 111 -4.437 3.424 2.138 1.00 0.48 H new ATOM 0 HD12 LEU A 111 -4.688 1.929 1.206 1.00 0.48 H new ATOM 0 HD13 LEU A 111 -5.368 3.466 0.622 1.00 0.48 H new ATOM 0 HD21 LEU A 111 -6.291 4.455 3.366 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -7.309 4.518 1.908 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -7.903 3.702 3.373 1.00 0.62 H new ATOM 1756 N PRO A 112 -6.820 -0.992 -0.314 1.00 0.34 N ATOM 1757 CA PRO A 112 -5.908 -1.755 -1.175 1.00 0.33 C ATOM 1758 C PRO A 112 -4.747 -0.914 -1.686 1.00 0.32 C ATOM 1759 O PRO A 112 -4.938 0.201 -2.172 1.00 0.33 O ATOM 1760 CB PRO A 112 -6.795 -2.192 -2.347 1.00 0.35 C ATOM 1761 CG PRO A 112 -8.190 -2.073 -1.844 1.00 0.81 C ATOM 1762 CD PRO A 112 -8.176 -0.937 -0.867 1.00 0.64 C ATOM 0 HA PRO A 112 -5.449 -2.583 -0.635 1.00 0.33 H new ATOM 0 HB2 PRO A 112 -6.635 -1.559 -3.220 1.00 0.35 H new ATOM 0 HB3 PRO A 112 -6.571 -3.215 -2.650 1.00 0.35 H new ATOM 0 HG2 PRO A 112 -8.885 -1.878 -2.661 1.00 0.81 H new ATOM 0 HG3 PRO A 112 -8.513 -2.997 -1.365 1.00 0.81 H new ATOM 0 HD2 PRO A 112 -8.374 0.017 -1.355 1.00 0.64 H new ATOM 0 HD3 PRO A 112 -8.933 -1.062 -0.092 1.00 0.64 H new ATOM 1770 N ILE A 113 -3.547 -1.482 -1.595 1.00 0.33 N ATOM 1771 CA ILE A 113 -2.328 -0.817 -2.043 1.00 0.29 C ATOM 1772 C ILE A 113 -2.371 -0.552 -3.558 1.00 0.30 C ATOM 1773 O ILE A 113 -1.553 0.192 -4.097 1.00 0.28 O ATOM 1774 CB ILE A 113 -1.084 -1.667 -1.684 1.00 0.30 C ATOM 1775 CG1 ILE A 113 0.199 -0.877 -1.939 1.00 0.26 C ATOM 1776 CG2 ILE A 113 -1.072 -2.980 -2.461 1.00 0.33 C ATOM 1777 CD1 ILE A 113 0.471 0.185 -0.897 1.00 0.25 C ATOM 0 H ILE A 113 -3.393 -2.414 -1.210 1.00 0.33 H new ATOM 0 HA ILE A 113 -2.259 0.142 -1.529 1.00 0.29 H new ATOM 0 HB ILE A 113 -1.136 -1.907 -0.622 1.00 0.30 H new ATOM 0 HG12 ILE A 113 1.041 -1.568 -1.971 1.00 0.26 H new ATOM 0 HG13 ILE A 113 0.137 -0.405 -2.920 1.00 0.26 H new ATOM 0 HG21 ILE A 113 -0.187 -3.556 -2.189 1.00 0.33 H new ATOM 0 HG22 ILE A 113 -1.967 -3.554 -2.220 1.00 0.33 H new ATOM 0 HG23 ILE A 113 -1.053 -2.770 -3.530 1.00 0.33 H new ATOM 0 HD11 ILE A 113 1.397 0.706 -1.141 1.00 0.25 H new ATOM 0 HD12 ILE A 113 -0.353 0.898 -0.881 1.00 0.25 H new ATOM 0 HD13 ILE A 113 0.566 -0.283 0.083 1.00 0.25 H new ATOM 1789 N GLU A 114 -3.344 -1.171 -4.220 1.00 0.36 N ATOM 1790 CA GLU A 114 -3.599 -0.973 -5.645 1.00 0.42 C ATOM 1791 C GLU A 114 -3.721 0.512 -5.995 1.00 0.33 C ATOM 1792 O GLU A 114 -3.226 0.963 -7.026 1.00 0.41 O ATOM 1793 CB GLU A 114 -4.892 -1.706 -6.014 1.00 0.57 C ATOM 1794 CG GLU A 114 -5.404 -1.428 -7.415 1.00 0.72 C ATOM 1795 CD GLU A 114 -4.554 -2.068 -8.482 1.00 1.47 C ATOM 1796 OE1 GLU A 114 -4.614 -3.302 -8.636 1.00 1.87 O ATOM 1797 OE2 GLU A 114 -3.821 -1.332 -9.166 1.00 1.90 O ATOM 0 H GLU A 114 -3.984 -1.831 -3.779 1.00 0.36 H new ATOM 0 HA GLU A 114 -2.758 -1.372 -6.212 1.00 0.42 H new ATOM 0 HB2 GLU A 114 -4.728 -2.778 -5.909 1.00 0.57 H new ATOM 0 HB3 GLU A 114 -5.666 -1.430 -5.298 1.00 0.57 H new ATOM 0 HG2 GLU A 114 -6.427 -1.794 -7.503 1.00 0.72 H new ATOM 0 HG3 GLU A 114 -5.436 -0.351 -7.579 1.00 0.72 H new ATOM 1804 N LEU A 115 -4.351 1.272 -5.109 1.00 0.24 N ATOM 1805 CA LEU A 115 -4.639 2.674 -5.383 1.00 0.24 C ATOM 1806 C LEU A 115 -3.579 3.566 -4.764 1.00 0.21 C ATOM 1807 O LEU A 115 -3.663 4.794 -4.832 1.00 0.29 O ATOM 1808 CB LEU A 115 -6.015 3.077 -4.843 1.00 0.30 C ATOM 1809 CG LEU A 115 -7.210 2.293 -5.392 1.00 0.39 C ATOM 1810 CD1 LEU A 115 -7.379 0.972 -4.654 1.00 0.93 C ATOM 1811 CD2 LEU A 115 -8.473 3.130 -5.290 1.00 1.03 C ATOM 0 H LEU A 115 -4.671 0.943 -4.198 1.00 0.24 H new ATOM 0 HA LEU A 115 -4.637 2.801 -6.466 1.00 0.24 H new ATOM 0 HB2 LEU A 115 -6.003 2.969 -3.758 1.00 0.30 H new ATOM 0 HB3 LEU A 115 -6.171 4.134 -5.056 1.00 0.30 H new ATOM 0 HG LEU A 115 -7.023 2.067 -6.442 1.00 0.39 H new ATOM 0 HD11 LEU A 115 -8.234 0.434 -5.062 1.00 0.93 H new ATOM 0 HD12 LEU A 115 -6.479 0.369 -4.776 1.00 0.93 H new ATOM 0 HD13 LEU A 115 -7.545 1.166 -3.594 1.00 0.93 H new ATOM 0 HD21 LEU A 115 -9.317 2.564 -5.683 1.00 1.03 H new ATOM 0 HD22 LEU A 115 -8.659 3.382 -4.246 1.00 1.03 H new ATOM 0 HD23 LEU A 115 -8.350 4.046 -5.868 1.00 1.03 H new ATOM 1823 N CYS A 116 -2.579 2.948 -4.170 1.00 0.24 N ATOM 1824 CA CYS A 116 -1.546 3.684 -3.476 1.00 0.23 C ATOM 1825 C CYS A 116 -0.306 3.807 -4.339 1.00 0.22 C ATOM 1826 O CYS A 116 -0.037 2.965 -5.196 1.00 0.25 O ATOM 1827 CB CYS A 116 -1.205 2.997 -2.154 1.00 0.25 C ATOM 1828 SG CYS A 116 -2.641 2.693 -1.098 1.00 0.37 S ATOM 0 H CYS A 116 -2.461 1.935 -4.155 1.00 0.24 H new ATOM 0 HA CYS A 116 -1.919 4.686 -3.265 1.00 0.23 H new ATOM 0 HB2 CYS A 116 -0.713 2.047 -2.365 1.00 0.25 H new ATOM 0 HB3 CYS A 116 -0.489 3.613 -1.609 1.00 0.25 H new ATOM 0 HG CYS A 116 -2.397 3.128 0.103 1.00 0.37 H new ATOM 1834 N SER A 117 0.414 4.886 -4.140 1.00 0.24 N ATOM 1835 CA SER A 117 1.690 5.084 -4.778 1.00 0.24 C ATOM 1836 C SER A 117 2.743 5.349 -3.711 1.00 0.24 C ATOM 1837 O SER A 117 2.464 5.984 -2.697 1.00 0.25 O ATOM 1838 CB SER A 117 1.611 6.250 -5.760 1.00 0.29 C ATOM 1839 OG SER A 117 0.504 6.099 -6.634 1.00 0.63 O ATOM 0 H SER A 117 0.129 5.652 -3.529 1.00 0.24 H new ATOM 0 HA SER A 117 1.965 4.190 -5.337 1.00 0.24 H new ATOM 0 HB2 SER A 117 1.522 7.188 -5.212 1.00 0.29 H new ATOM 0 HB3 SER A 117 2.532 6.306 -6.339 1.00 0.29 H new ATOM 0 HG SER A 117 0.471 6.857 -7.254 1.00 0.63 H new ATOM 1845 N ILE A 118 3.932 4.841 -3.933 1.00 0.26 N ATOM 1846 CA ILE A 118 5.012 4.985 -2.981 1.00 0.28 C ATOM 1847 C ILE A 118 5.909 6.159 -3.374 1.00 0.34 C ATOM 1848 O ILE A 118 6.146 6.405 -4.556 1.00 0.36 O ATOM 1849 CB ILE A 118 5.826 3.669 -2.888 1.00 0.29 C ATOM 1850 CG1 ILE A 118 6.958 3.807 -1.878 1.00 0.29 C ATOM 1851 CG2 ILE A 118 6.372 3.274 -4.255 1.00 0.39 C ATOM 1852 CD1 ILE A 118 7.695 2.516 -1.592 1.00 0.31 C ATOM 0 H ILE A 118 4.179 4.319 -4.773 1.00 0.26 H new ATOM 0 HA ILE A 118 4.592 5.193 -1.997 1.00 0.28 H new ATOM 0 HB ILE A 118 5.157 2.879 -2.547 1.00 0.29 H new ATOM 0 HG12 ILE A 118 7.670 4.545 -2.246 1.00 0.29 H new ATOM 0 HG13 ILE A 118 6.551 4.195 -0.944 1.00 0.29 H new ATOM 0 HG21 ILE A 118 6.940 2.348 -4.166 1.00 0.39 H new ATOM 0 HG22 ILE A 118 5.544 3.127 -4.949 1.00 0.39 H new ATOM 0 HG23 ILE A 118 7.023 4.064 -4.629 1.00 0.39 H new ATOM 0 HD11 ILE A 118 8.484 2.701 -0.864 1.00 0.31 H new ATOM 0 HD12 ILE A 118 6.998 1.780 -1.192 1.00 0.31 H new ATOM 0 HD13 ILE A 118 8.134 2.136 -2.514 1.00 0.31 H new ATOM 1864 N GLU A 119 6.374 6.897 -2.376 1.00 0.41 N ATOM 1865 CA GLU A 119 7.151 8.107 -2.602 1.00 0.50 C ATOM 1866 C GLU A 119 8.589 7.761 -2.979 1.00 0.55 C ATOM 1867 O GLU A 119 9.261 7.019 -2.261 1.00 0.56 O ATOM 1868 CB GLU A 119 7.126 8.969 -1.335 1.00 0.60 C ATOM 1869 CG GLU A 119 8.058 10.169 -1.378 1.00 1.23 C ATOM 1870 CD GLU A 119 7.655 11.206 -2.402 1.00 1.69 C ATOM 1871 OE1 GLU A 119 6.848 12.096 -2.062 1.00 2.02 O ATOM 1872 OE2 GLU A 119 8.164 11.145 -3.541 1.00 2.46 O ATOM 0 H GLU A 119 6.224 6.675 -1.392 1.00 0.41 H new ATOM 0 HA GLU A 119 6.710 8.664 -3.429 1.00 0.50 H new ATOM 0 HB2 GLU A 119 6.108 9.320 -1.168 1.00 0.60 H new ATOM 0 HB3 GLU A 119 7.393 8.347 -0.481 1.00 0.60 H new ATOM 0 HG2 GLU A 119 8.085 10.634 -0.392 1.00 1.23 H new ATOM 0 HG3 GLU A 119 9.069 9.827 -1.597 1.00 1.23 H new ATOM 1879 N GLU A 120 9.058 8.303 -4.101 1.00 0.68 N ATOM 1880 CA GLU A 120 10.423 8.058 -4.550 1.00 0.84 C ATOM 1881 C GLU A 120 11.394 8.954 -3.792 1.00 0.98 C ATOM 1882 O GLU A 120 12.596 8.692 -3.753 1.00 1.08 O ATOM 1883 CB GLU A 120 10.570 8.304 -6.053 1.00 1.10 C ATOM 1884 CG GLU A 120 10.372 9.757 -6.443 1.00 1.26 C ATOM 1885 CD GLU A 120 10.894 10.070 -7.828 1.00 2.16 C ATOM 1886 OE1 GLU A 120 12.099 10.357 -7.980 1.00 2.36 O ATOM 1887 OE2 GLU A 120 10.093 10.016 -8.785 1.00 2.92 O ATOM 0 H GLU A 120 8.514 8.912 -4.712 1.00 0.68 H new ATOM 0 HA GLU A 120 10.654 7.012 -4.349 1.00 0.84 H new ATOM 0 HB2 GLU A 120 11.561 7.981 -6.372 1.00 1.10 H new ATOM 0 HB3 GLU A 120 9.846 7.689 -6.588 1.00 1.10 H new ATOM 0 HG2 GLU A 120 9.310 9.999 -6.397 1.00 1.26 H new ATOM 0 HG3 GLU A 120 10.876 10.395 -5.717 1.00 1.26 H new