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 80 THR OG1 : rot 180:sc= 0.00902 USER MOD Set 1.2: A 83 SER OG : rot 102:sc= 0.00834 USER MOD Single : A 5 MET CE :methyl -134:sc= -0.474 (180deg=-1.68) USER MOD Single : A 7 MET CE :methyl -172:sc= -1.01 (180deg=-1.18) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -0.0126 (180deg=-0.159) USER MOD Single : A 21 ASN : amide:sc= -1.66 K(o=-1.7,f=-10!) USER MOD Single : A 22 ASN : amide:sc= 0.691 K(o=0.69,f=-3.8!) USER MOD Single : A 23 THR OG1 : rot -29:sc= 0.146 USER MOD Single : A 24 THR OG1 : rot -43:sc= 0.96 USER MOD Single : A 25 ASN : amide:sc= -1.98! K(o=-2!,f=-0.09) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 69:sc= 0.309 USER MOD Single : A 41 ASN : amide:sc= -0.0215 X(o=-0.021,f=-0.066) 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=-0.000188 X(o=-0.00019,f=-0.45) USER MOD Single : A 49 SER OG : rot -24:sc= 0.218 USER MOD Single : A 51 GLN : amide:sc= -0.987 K(o=-0.99,f=-0.0012) USER MOD Single : A 52 SER OG : rot 180:sc= 0.71 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.0084) USER MOD Single : A 63 SER OG : rot -123:sc= 1.27 USER MOD Single : A 68 SER OG : rot 160:sc= 0.0171 USER MOD Single : A 69 SER OG : rot -34:sc= 0.142 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= -0.0684 (180deg=-0.415) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.603 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 87 SER OG : rot 79:sc= 1.19 USER MOD Single : A 89 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.23) USER MOD Single : A 90 TYR OH : rot 30:sc= -0.602 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.21! K(o=-1.2!,f=-0.0026) USER MOD Single : A 98 HIS : no HD1:sc= -3.1 X(o=-3.1,f=-3.5!) USER MOD Single : A 99 CYS SG : rot 86:sc= -2.31! USER MOD Single : A 101 ASN : amide:sc= -0.235 K(o=-0.24,f=-2.1) USER MOD Single : A 104 SER OG : rot 170:sc= -0.397 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -167:sc= -0.0209 (180deg=-0.171) USER MOD Single : A 108 SER OG : rot 41:sc= 0.0125 USER MOD Single : A 116 CYS SG : rot -130:sc= -0.882 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 4 5.698 10.468 -8.213 1.00 0.61 N ATOM 2 CA ALA A 4 4.944 9.393 -7.595 1.00 0.53 C ATOM 3 C ALA A 4 5.021 8.130 -8.435 1.00 0.44 C ATOM 4 O ALA A 4 4.637 8.122 -9.607 1.00 0.54 O ATOM 5 CB ALA A 4 3.496 9.807 -7.387 1.00 0.64 C ATOM 0 HA ALA A 4 5.386 9.183 -6.621 1.00 0.53 H new ATOM 0 HB1 ALA A 4 2.947 8.988 -6.923 1.00 0.64 H new ATOM 0 HB2 ALA A 4 3.457 10.683 -6.740 1.00 0.64 H new ATOM 0 HB3 ALA A 4 3.044 10.047 -8.350 1.00 0.64 H new ATOM 11 N MET A 5 5.535 7.075 -7.830 1.00 0.39 N ATOM 12 CA MET A 5 5.653 5.785 -8.490 1.00 0.37 C ATOM 13 C MET A 5 4.528 4.864 -8.053 1.00 0.30 C ATOM 14 O MET A 5 4.424 4.532 -6.877 1.00 0.29 O ATOM 15 CB MET A 5 6.995 5.144 -8.142 1.00 0.43 C ATOM 16 CG MET A 5 8.179 5.742 -8.882 1.00 1.01 C ATOM 17 SD MET A 5 8.182 5.339 -10.641 1.00 1.80 S ATOM 18 CE MET A 5 8.238 3.547 -10.582 1.00 1.60 C ATOM 0 H MET A 5 5.882 7.086 -6.871 1.00 0.39 H new ATOM 0 HA MET A 5 5.590 5.939 -9.567 1.00 0.37 H new ATOM 0 HB2 MET A 5 7.164 5.241 -7.070 1.00 0.43 H new ATOM 0 HB3 MET A 5 6.944 4.078 -8.362 1.00 0.43 H new ATOM 0 HG2 MET A 5 8.167 6.825 -8.762 1.00 1.01 H new ATOM 0 HG3 MET A 5 9.103 5.382 -8.430 1.00 1.01 H new ATOM 0 HE1 MET A 5 8.985 3.183 -11.287 1.00 1.60 H new ATOM 0 HE2 MET A 5 8.502 3.224 -9.575 1.00 1.60 H new ATOM 0 HE3 MET A 5 7.261 3.143 -10.848 1.00 1.60 H new ATOM 28 N PRO A 6 3.662 4.452 -8.987 1.00 0.30 N ATOM 29 CA PRO A 6 2.596 3.488 -8.702 1.00 0.28 C ATOM 30 C PRO A 6 3.141 2.282 -7.942 1.00 0.27 C ATOM 31 O PRO A 6 4.026 1.583 -8.435 1.00 0.30 O ATOM 32 CB PRO A 6 2.112 3.076 -10.096 1.00 0.32 C ATOM 33 CG PRO A 6 2.426 4.241 -10.970 1.00 0.47 C ATOM 34 CD PRO A 6 3.657 4.892 -10.393 1.00 0.36 C ATOM 0 HA PRO A 6 1.804 3.901 -8.077 1.00 0.28 H new ATOM 0 HB2 PRO A 6 2.620 2.175 -10.440 1.00 0.32 H new ATOM 0 HB3 PRO A 6 1.044 2.859 -10.095 1.00 0.32 H new ATOM 0 HG2 PRO A 6 2.603 3.919 -11.996 1.00 0.47 H new ATOM 0 HG3 PRO A 6 1.592 4.943 -10.995 1.00 0.47 H new ATOM 0 HD2 PRO A 6 4.560 4.574 -10.915 1.00 0.36 H new ATOM 0 HD3 PRO A 6 3.609 5.978 -10.472 1.00 0.36 H new ATOM 42 N MET A 7 2.616 2.047 -6.737 1.00 0.24 N ATOM 43 CA MET A 7 3.164 1.024 -5.848 1.00 0.24 C ATOM 44 C MET A 7 3.062 -0.366 -6.466 1.00 0.28 C ATOM 45 O MET A 7 3.888 -1.230 -6.192 1.00 0.32 O ATOM 46 CB MET A 7 2.467 1.047 -4.487 1.00 0.22 C ATOM 47 CG MET A 7 3.225 1.851 -3.440 1.00 0.31 C ATOM 48 SD MET A 7 4.760 1.047 -2.933 1.00 0.62 S ATOM 49 CE MET A 7 4.139 -0.476 -2.229 1.00 0.63 C ATOM 0 H MET A 7 1.815 2.550 -6.357 1.00 0.24 H new ATOM 0 HA MET A 7 4.219 1.255 -5.703 1.00 0.24 H new ATOM 0 HB2 MET A 7 1.468 1.466 -4.605 1.00 0.22 H new ATOM 0 HB3 MET A 7 2.344 0.024 -4.131 1.00 0.22 H new ATOM 0 HG2 MET A 7 3.451 2.840 -3.839 1.00 0.31 H new ATOM 0 HG3 MET A 7 2.589 1.997 -2.567 1.00 0.31 H new ATOM 0 HE1 MET A 7 4.955 -1.013 -1.746 1.00 0.63 H new ATOM 0 HE2 MET A 7 3.368 -0.249 -1.493 1.00 0.63 H new ATOM 0 HE3 MET A 7 3.715 -1.096 -3.019 1.00 0.63 H new ATOM 59 N ILE A 8 2.057 -0.574 -7.309 1.00 0.29 N ATOM 60 CA ILE A 8 1.911 -1.845 -8.007 1.00 0.33 C ATOM 61 C ILE A 8 3.046 -2.039 -9.008 1.00 0.36 C ATOM 62 O ILE A 8 3.642 -3.112 -9.080 1.00 0.39 O ATOM 63 CB ILE A 8 0.553 -1.944 -8.733 1.00 0.37 C ATOM 64 CG1 ILE A 8 -0.594 -1.907 -7.720 1.00 0.42 C ATOM 65 CG2 ILE A 8 0.479 -3.213 -9.578 1.00 0.47 C ATOM 66 CD1 ILE A 8 -0.571 -3.053 -6.731 1.00 0.51 C ATOM 0 H ILE A 8 1.337 0.115 -7.524 1.00 0.29 H new ATOM 0 HA ILE A 8 1.953 -2.634 -7.256 1.00 0.33 H new ATOM 0 HB ILE A 8 0.458 -1.087 -9.400 1.00 0.37 H new ATOM 0 HG12 ILE A 8 -0.553 -0.965 -7.172 1.00 0.42 H new ATOM 0 HG13 ILE A 8 -1.542 -1.922 -8.258 1.00 0.42 H new ATOM 0 HG21 ILE A 8 -0.487 -3.260 -10.080 1.00 0.47 H new ATOM 0 HG22 ILE A 8 1.275 -3.201 -10.323 1.00 0.47 H new ATOM 0 HG23 ILE A 8 0.597 -4.085 -8.935 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -1.413 -2.959 -6.046 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -0.644 -3.999 -7.268 1.00 0.51 H new ATOM 0 HD13 ILE A 8 0.361 -3.027 -6.166 1.00 0.51 H new ATOM 78 N GLU A 9 3.356 -0.993 -9.769 1.00 0.38 N ATOM 79 CA GLU A 9 4.462 -1.052 -10.714 1.00 0.42 C ATOM 80 C GLU A 9 5.786 -1.147 -9.959 1.00 0.39 C ATOM 81 O GLU A 9 6.725 -1.802 -10.408 1.00 0.39 O ATOM 82 CB GLU A 9 4.470 0.168 -11.632 1.00 0.50 C ATOM 83 CG GLU A 9 5.460 0.033 -12.778 1.00 0.66 C ATOM 84 CD GLU A 9 5.611 1.298 -13.590 1.00 0.86 C ATOM 85 OE1 GLU A 9 4.815 1.511 -14.526 1.00 0.83 O ATOM 86 OE2 GLU A 9 6.550 2.071 -13.316 1.00 1.72 O ATOM 0 H GLU A 9 2.860 -0.102 -9.749 1.00 0.38 H new ATOM 0 HA GLU A 9 4.333 -1.940 -11.333 1.00 0.42 H new ATOM 0 HB2 GLU A 9 3.470 0.319 -12.037 1.00 0.50 H new ATOM 0 HB3 GLU A 9 4.715 1.055 -11.048 1.00 0.50 H new ATOM 0 HG2 GLU A 9 6.433 -0.251 -12.377 1.00 0.66 H new ATOM 0 HG3 GLU A 9 5.137 -0.775 -13.434 1.00 0.66 H new ATOM 93 N TYR A 10 5.845 -0.482 -8.806 1.00 0.41 N ATOM 94 CA TYR A 10 6.986 -0.587 -7.904 1.00 0.42 C ATOM 95 C TYR A 10 7.210 -2.049 -7.538 1.00 0.43 C ATOM 96 O TYR A 10 8.335 -2.548 -7.566 1.00 0.45 O ATOM 97 CB TYR A 10 6.738 0.254 -6.641 1.00 0.43 C ATOM 98 CG TYR A 10 7.766 0.057 -5.546 1.00 0.44 C ATOM 99 CD1 TYR A 10 8.983 0.723 -5.575 1.00 0.47 C ATOM 100 CD2 TYR A 10 7.509 -0.794 -4.477 1.00 0.43 C ATOM 101 CE1 TYR A 10 9.917 0.548 -4.572 1.00 0.50 C ATOM 102 CE2 TYR A 10 8.438 -0.976 -3.470 1.00 0.45 C ATOM 103 CZ TYR A 10 9.641 -0.303 -3.522 1.00 0.47 C ATOM 104 OH TYR A 10 10.569 -0.476 -2.521 1.00 0.51 O ATOM 0 H TYR A 10 5.108 0.140 -8.474 1.00 0.41 H new ATOM 0 HA TYR A 10 7.878 -0.206 -8.400 1.00 0.42 H new ATOM 0 HB2 TYR A 10 6.719 1.308 -6.919 1.00 0.43 H new ATOM 0 HB3 TYR A 10 5.752 0.011 -6.245 1.00 0.43 H new ATOM 0 HD1 TYR A 10 9.204 1.390 -6.396 1.00 0.47 H new ATOM 0 HD2 TYR A 10 6.568 -1.322 -4.433 1.00 0.43 H new ATOM 0 HE1 TYR A 10 10.859 1.075 -4.610 1.00 0.50 H new ATOM 0 HE2 TYR A 10 8.223 -1.641 -2.647 1.00 0.45 H new ATOM 0 HH TYR A 10 10.220 -1.106 -1.857 1.00 0.51 H new ATOM 114 N LEU A 11 6.121 -2.732 -7.216 1.00 0.43 N ATOM 115 CA LEU A 11 6.168 -4.154 -6.927 1.00 0.46 C ATOM 116 C LEU A 11 6.601 -4.932 -8.161 1.00 0.44 C ATOM 117 O LEU A 11 7.522 -5.735 -8.095 1.00 0.48 O ATOM 118 CB LEU A 11 4.793 -4.636 -6.464 1.00 0.50 C ATOM 119 CG LEU A 11 4.306 -4.015 -5.159 1.00 0.58 C ATOM 120 CD1 LEU A 11 2.837 -4.326 -4.933 1.00 0.66 C ATOM 121 CD2 LEU A 11 5.147 -4.515 -3.997 1.00 0.77 C ATOM 0 H LEU A 11 5.190 -2.320 -7.149 1.00 0.43 H new ATOM 0 HA LEU A 11 6.895 -4.326 -6.133 1.00 0.46 H new ATOM 0 HB2 LEU A 11 4.065 -4.421 -7.247 1.00 0.50 H new ATOM 0 HB3 LEU A 11 4.824 -5.719 -6.346 1.00 0.50 H new ATOM 0 HG LEU A 11 4.415 -2.932 -5.226 1.00 0.58 H new ATOM 0 HD11 LEU A 11 2.509 -3.874 -3.997 1.00 0.66 H new ATOM 0 HD12 LEU A 11 2.249 -3.922 -5.757 1.00 0.66 H new ATOM 0 HD13 LEU A 11 2.697 -5.406 -4.883 1.00 0.66 H new ATOM 0 HD21 LEU A 11 4.791 -4.065 -3.070 1.00 0.77 H new ATOM 0 HD22 LEU A 11 5.065 -5.600 -3.929 1.00 0.77 H new ATOM 0 HD23 LEU A 11 6.189 -4.239 -4.157 1.00 0.77 H new ATOM 133 N GLU A 12 5.967 -4.647 -9.289 1.00 0.40 N ATOM 134 CA GLU A 12 6.244 -5.357 -10.533 1.00 0.40 C ATOM 135 C GLU A 12 7.715 -5.238 -10.931 1.00 0.44 C ATOM 136 O GLU A 12 8.371 -6.239 -11.212 1.00 0.49 O ATOM 137 CB GLU A 12 5.354 -4.812 -11.649 1.00 0.40 C ATOM 138 CG GLU A 12 5.551 -5.508 -12.984 1.00 0.43 C ATOM 139 CD GLU A 12 4.688 -4.921 -14.080 1.00 0.47 C ATOM 140 OE1 GLU A 12 4.864 -3.729 -14.404 1.00 0.59 O ATOM 141 OE2 GLU A 12 3.833 -5.648 -14.629 1.00 0.51 O ATOM 0 H GLU A 12 5.252 -3.924 -9.370 1.00 0.40 H new ATOM 0 HA GLU A 12 6.026 -6.413 -10.375 1.00 0.40 H new ATOM 0 HB2 GLU A 12 4.311 -4.909 -11.349 1.00 0.40 H new ATOM 0 HB3 GLU A 12 5.552 -3.747 -11.772 1.00 0.40 H new ATOM 0 HG2 GLU A 12 6.599 -5.437 -13.275 1.00 0.43 H new ATOM 0 HG3 GLU A 12 5.321 -6.568 -12.874 1.00 0.43 H new ATOM 148 N ARG A 13 8.222 -4.014 -10.935 1.00 0.45 N ATOM 149 CA ARG A 13 9.581 -3.738 -11.386 1.00 0.52 C ATOM 150 C ARG A 13 10.627 -4.072 -10.321 1.00 0.58 C ATOM 151 O ARG A 13 11.578 -4.801 -10.587 1.00 0.62 O ATOM 152 CB ARG A 13 9.707 -2.266 -11.796 1.00 0.56 C ATOM 153 CG ARG A 13 8.892 -1.908 -13.029 1.00 0.54 C ATOM 154 CD ARG A 13 8.792 -0.403 -13.229 1.00 0.67 C ATOM 155 NE ARG A 13 10.086 0.233 -13.472 1.00 1.25 N ATOM 156 CZ ARG A 13 10.237 1.539 -13.716 1.00 1.51 C ATOM 157 NH1 ARG A 13 9.177 2.343 -13.751 1.00 1.38 N ATOM 158 NH2 ARG A 13 11.447 2.045 -13.924 1.00 2.48 N ATOM 0 H ARG A 13 7.708 -3.188 -10.628 1.00 0.45 H new ATOM 0 HA ARG A 13 9.774 -4.381 -12.245 1.00 0.52 H new ATOM 0 HB2 ARG A 13 9.389 -1.637 -10.965 1.00 0.56 H new ATOM 0 HB3 ARG A 13 10.756 -2.038 -11.985 1.00 0.56 H new ATOM 0 HG2 ARG A 13 9.348 -2.361 -13.909 1.00 0.54 H new ATOM 0 HG3 ARG A 13 7.891 -2.329 -12.936 1.00 0.54 H new ATOM 0 HD2 ARG A 13 8.130 -0.198 -14.070 1.00 0.67 H new ATOM 0 HD3 ARG A 13 8.334 0.045 -12.347 1.00 0.67 H new ATOM 0 HE ARG A 13 10.921 -0.353 -13.454 1.00 1.25 H new ATOM 0 HH11 ARG A 13 8.244 1.964 -13.591 1.00 1.38 H new ATOM 0 HH12 ARG A 13 9.298 3.338 -13.938 1.00 1.38 H new ATOM 0 HH21 ARG A 13 12.265 1.437 -13.898 1.00 2.48 H new ATOM 0 HH22 ARG A 13 11.558 3.042 -14.110 1.00 2.48 H new ATOM 172 N PHE A 14 10.447 -3.553 -9.113 1.00 0.60 N ATOM 173 CA PHE A 14 11.508 -3.595 -8.110 1.00 0.69 C ATOM 174 C PHE A 14 11.390 -4.778 -7.146 1.00 0.71 C ATOM 175 O PHE A 14 12.402 -5.245 -6.621 1.00 0.83 O ATOM 176 CB PHE A 14 11.533 -2.284 -7.318 1.00 0.72 C ATOM 177 CG PHE A 14 11.773 -1.070 -8.173 1.00 0.73 C ATOM 178 CD1 PHE A 14 13.060 -0.709 -8.545 1.00 0.87 C ATOM 179 CD2 PHE A 14 10.713 -0.286 -8.602 1.00 0.64 C ATOM 180 CE1 PHE A 14 13.284 0.408 -9.328 1.00 0.91 C ATOM 181 CE2 PHE A 14 10.931 0.834 -9.385 1.00 0.67 C ATOM 182 CZ PHE A 14 12.215 1.171 -9.762 1.00 0.81 C ATOM 0 H PHE A 14 9.586 -3.102 -8.804 1.00 0.60 H new ATOM 0 HA PHE A 14 12.442 -3.728 -8.656 1.00 0.69 H new ATOM 0 HB2 PHE A 14 10.584 -2.167 -6.794 1.00 0.72 H new ATOM 0 HB3 PHE A 14 12.312 -2.343 -6.558 1.00 0.72 H new ATOM 0 HD1 PHE A 14 13.897 -1.308 -8.219 1.00 0.87 H new ATOM 0 HD2 PHE A 14 9.705 -0.553 -8.322 1.00 0.64 H new ATOM 0 HE1 PHE A 14 14.292 0.684 -9.600 1.00 0.91 H new ATOM 0 HE2 PHE A 14 10.097 1.444 -9.701 1.00 0.67 H new ATOM 0 HZ PHE A 14 12.385 2.029 -10.395 1.00 0.81 H new ATOM 192 N SER A 15 10.181 -5.265 -6.902 1.00 0.63 N ATOM 193 CA SER A 15 10.003 -6.320 -5.909 1.00 0.67 C ATOM 194 C SER A 15 9.844 -7.697 -6.561 1.00 0.69 C ATOM 195 O SER A 15 10.433 -8.675 -6.101 1.00 0.78 O ATOM 196 CB SER A 15 8.791 -6.007 -5.022 1.00 0.65 C ATOM 197 OG SER A 15 8.626 -6.978 -4.001 1.00 1.36 O ATOM 0 H SER A 15 9.326 -4.957 -7.365 1.00 0.63 H new ATOM 0 HA SER A 15 10.902 -6.352 -5.294 1.00 0.67 H new ATOM 0 HB2 SER A 15 8.914 -5.022 -4.572 1.00 0.65 H new ATOM 0 HB3 SER A 15 7.891 -5.967 -5.636 1.00 0.65 H new ATOM 0 HG SER A 15 7.846 -6.748 -3.454 1.00 1.36 H new ATOM 203 N LEU A 16 9.070 -7.769 -7.636 1.00 0.63 N ATOM 204 CA LEU A 16 8.914 -9.015 -8.376 1.00 0.68 C ATOM 205 C LEU A 16 9.945 -9.092 -9.482 1.00 0.79 C ATOM 206 O LEU A 16 10.430 -10.170 -9.829 1.00 0.89 O ATOM 207 CB LEU A 16 7.506 -9.162 -8.973 1.00 0.62 C ATOM 208 CG LEU A 16 6.387 -9.508 -7.981 1.00 0.60 C ATOM 209 CD1 LEU A 16 5.955 -8.286 -7.194 1.00 1.24 C ATOM 210 CD2 LEU A 16 5.200 -10.117 -8.710 1.00 1.20 C ATOM 0 H LEU A 16 8.542 -6.983 -8.014 1.00 0.63 H new ATOM 0 HA LEU A 16 9.062 -9.832 -7.670 1.00 0.68 H new ATOM 0 HB2 LEU A 16 7.246 -8.229 -9.473 1.00 0.62 H new ATOM 0 HB3 LEU A 16 7.537 -9.936 -9.740 1.00 0.62 H new ATOM 0 HG LEU A 16 6.778 -10.241 -7.276 1.00 0.60 H new ATOM 0 HD11 LEU A 16 5.161 -8.562 -6.500 1.00 1.24 H new ATOM 0 HD12 LEU A 16 6.805 -7.893 -6.636 1.00 1.24 H new ATOM 0 HD13 LEU A 16 5.588 -7.523 -7.880 1.00 1.24 H new ATOM 0 HD21 LEU A 16 4.416 -10.356 -7.992 1.00 1.20 H new ATOM 0 HD22 LEU A 16 4.817 -9.405 -9.441 1.00 1.20 H new ATOM 0 HD23 LEU A 16 5.515 -11.027 -9.221 1.00 1.20 H new ATOM 222 N LYS A 17 10.263 -7.919 -10.031 1.00 0.83 N ATOM 223 CA LYS A 17 11.272 -7.771 -11.077 1.00 0.97 C ATOM 224 C LYS A 17 10.866 -8.548 -12.321 1.00 1.01 C ATOM 225 O LYS A 17 11.706 -9.077 -13.052 1.00 1.15 O ATOM 226 CB LYS A 17 12.639 -8.221 -10.556 1.00 1.10 C ATOM 227 CG LYS A 17 13.028 -7.532 -9.257 1.00 1.13 C ATOM 228 CD LYS A 17 14.363 -8.022 -8.736 1.00 1.17 C ATOM 229 CE LYS A 17 14.666 -7.449 -7.362 1.00 1.61 C ATOM 230 NZ LYS A 17 15.972 -7.927 -6.839 1.00 2.03 N ATOM 0 H LYS A 17 9.824 -7.039 -9.759 1.00 0.83 H new ATOM 0 HA LYS A 17 11.347 -6.720 -11.354 1.00 0.97 H new ATOM 0 HB2 LYS A 17 12.627 -9.300 -10.401 1.00 1.10 H new ATOM 0 HB3 LYS A 17 13.397 -8.016 -11.312 1.00 1.10 H new ATOM 0 HG2 LYS A 17 13.074 -6.455 -9.417 1.00 1.13 H new ATOM 0 HG3 LYS A 17 12.258 -7.710 -8.507 1.00 1.13 H new ATOM 0 HD2 LYS A 17 14.358 -9.111 -8.685 1.00 1.17 H new ATOM 0 HD3 LYS A 17 15.153 -7.739 -9.432 1.00 1.17 H new ATOM 0 HE2 LYS A 17 14.673 -6.360 -7.416 1.00 1.61 H new ATOM 0 HE3 LYS A 17 13.873 -7.729 -6.669 1.00 1.61 H new ATOM 0 HZ1 LYS A 17 16.142 -7.514 -5.900 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 15.957 -8.964 -6.763 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 16.732 -7.638 -7.487 1.00 2.03 H new ATOM 244 N ALA A 18 9.563 -8.578 -12.561 1.00 0.95 N ATOM 245 CA ALA A 18 8.991 -9.339 -13.655 1.00 1.03 C ATOM 246 C ALA A 18 7.678 -8.711 -14.111 1.00 1.02 C ATOM 247 O ALA A 18 7.623 -7.518 -14.410 1.00 1.34 O ATOM 248 CB ALA A 18 8.785 -10.787 -13.229 1.00 1.06 C ATOM 0 H ALA A 18 8.875 -8.074 -12.001 1.00 0.95 H new ATOM 0 HA ALA A 18 9.681 -9.323 -14.498 1.00 1.03 H new ATOM 0 HB1 ALA A 18 8.355 -11.352 -14.056 1.00 1.06 H new ATOM 0 HB2 ALA A 18 9.744 -11.224 -12.951 1.00 1.06 H new ATOM 0 HB3 ALA A 18 8.108 -10.822 -12.375 1.00 1.06 H new ATOM 254 N LYS A 19 6.630 -9.512 -14.158 1.00 0.80 N ATOM 255 CA LYS A 19 5.320 -9.047 -14.582 1.00 0.77 C ATOM 256 C LYS A 19 4.354 -9.083 -13.401 1.00 0.64 C ATOM 257 O LYS A 19 4.479 -9.932 -12.520 1.00 0.74 O ATOM 258 CB LYS A 19 4.801 -9.934 -15.719 1.00 0.93 C ATOM 259 CG LYS A 19 3.688 -9.307 -16.540 1.00 1.52 C ATOM 260 CD LYS A 19 4.167 -8.049 -17.245 1.00 1.71 C ATOM 261 CE LYS A 19 3.101 -7.474 -18.161 1.00 1.93 C ATOM 262 NZ LYS A 19 2.795 -8.374 -19.307 1.00 2.69 N ATOM 0 H LYS A 19 6.661 -10.500 -13.905 1.00 0.80 H new ATOM 0 HA LYS A 19 5.398 -8.021 -14.942 1.00 0.77 H new ATOM 0 HB2 LYS A 19 5.631 -10.179 -16.381 1.00 0.93 H new ATOM 0 HB3 LYS A 19 4.441 -10.873 -15.297 1.00 0.93 H new ATOM 0 HG2 LYS A 19 3.327 -10.025 -17.277 1.00 1.52 H new ATOM 0 HG3 LYS A 19 2.846 -9.065 -15.891 1.00 1.52 H new ATOM 0 HD2 LYS A 19 4.450 -7.302 -16.503 1.00 1.71 H new ATOM 0 HD3 LYS A 19 5.061 -8.276 -17.826 1.00 1.71 H new ATOM 0 HE2 LYS A 19 2.191 -7.296 -17.589 1.00 1.93 H new ATOM 0 HE3 LYS A 19 3.433 -6.507 -18.540 1.00 1.93 H new ATOM 0 HZ1 LYS A 19 2.222 -7.862 -20.007 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 3.683 -8.687 -19.749 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 2.267 -9.203 -18.966 1.00 2.69 H new ATOM 276 N ILE A 20 3.409 -8.157 -13.369 1.00 0.57 N ATOM 277 CA ILE A 20 2.410 -8.131 -12.310 1.00 0.52 C ATOM 278 C ILE A 20 1.071 -8.676 -12.809 1.00 0.54 C ATOM 279 O ILE A 20 0.683 -8.440 -13.958 1.00 0.64 O ATOM 280 CB ILE A 20 2.244 -6.697 -11.736 1.00 0.56 C ATOM 281 CG1 ILE A 20 2.579 -6.681 -10.246 1.00 0.46 C ATOM 282 CG2 ILE A 20 0.845 -6.141 -11.973 1.00 0.92 C ATOM 283 CD1 ILE A 20 1.694 -7.574 -9.408 1.00 0.72 C ATOM 0 H ILE A 20 3.312 -7.415 -14.062 1.00 0.57 H new ATOM 0 HA ILE A 20 2.759 -8.777 -11.505 1.00 0.52 H new ATOM 0 HB ILE A 20 2.942 -6.051 -12.268 1.00 0.56 H new ATOM 0 HG12 ILE A 20 3.617 -6.988 -10.114 1.00 0.46 H new ATOM 0 HG13 ILE A 20 2.500 -5.658 -9.877 1.00 0.46 H new ATOM 0 HG21 ILE A 20 0.777 -5.137 -11.554 1.00 0.92 H new ATOM 0 HG22 ILE A 20 0.646 -6.102 -13.044 1.00 0.92 H new ATOM 0 HG23 ILE A 20 0.111 -6.786 -11.490 1.00 0.92 H new ATOM 0 HD11 ILE A 20 1.995 -7.507 -8.363 1.00 0.72 H new ATOM 0 HD12 ILE A 20 0.657 -7.255 -9.508 1.00 0.72 H new ATOM 0 HD13 ILE A 20 1.791 -8.605 -9.748 1.00 0.72 H new ATOM 295 N ASN A 21 0.392 -9.432 -11.946 1.00 0.58 N ATOM 296 CA ASN A 21 -0.935 -9.964 -12.239 1.00 0.72 C ATOM 297 C ASN A 21 -1.437 -10.750 -11.028 1.00 0.78 C ATOM 298 O ASN A 21 -0.718 -10.884 -10.041 1.00 0.77 O ATOM 299 CB ASN A 21 -0.887 -10.866 -13.481 1.00 0.80 C ATOM 300 CG ASN A 21 -2.256 -11.258 -14.005 1.00 1.21 C ATOM 301 OD1 ASN A 21 -2.811 -12.286 -13.617 1.00 1.78 O ATOM 302 ND2 ASN A 21 -2.809 -10.440 -14.886 1.00 1.71 N ATOM 0 H ASN A 21 0.748 -9.691 -11.026 1.00 0.58 H new ATOM 0 HA ASN A 21 -1.619 -9.141 -12.445 1.00 0.72 H new ATOM 0 HB2 ASN A 21 -0.339 -10.352 -14.271 1.00 0.80 H new ATOM 0 HB3 ASN A 21 -0.327 -11.770 -13.241 1.00 0.80 H new ATOM 0 HD21 ASN A 21 -3.730 -10.651 -15.270 1.00 1.71 H new ATOM 0 HD22 ASN A 21 -2.314 -9.598 -15.181 1.00 1.71 H new ATOM 309 N ASN A 22 -2.656 -11.262 -11.084 1.00 0.97 N ATOM 310 CA ASN A 22 -3.154 -12.127 -10.021 1.00 1.09 C ATOM 311 C ASN A 22 -2.456 -13.477 -10.086 1.00 1.03 C ATOM 312 O ASN A 22 -2.257 -14.143 -9.072 1.00 1.07 O ATOM 313 CB ASN A 22 -4.671 -12.318 -10.123 1.00 1.41 C ATOM 314 CG ASN A 22 -5.446 -11.058 -9.782 1.00 1.73 C ATOM 315 OD1 ASN A 22 -5.735 -10.793 -8.618 1.00 2.31 O ATOM 316 ND2 ASN A 22 -5.813 -10.288 -10.795 1.00 2.35 N ATOM 0 H ASN A 22 -3.315 -11.097 -11.845 1.00 0.97 H new ATOM 0 HA ASN A 22 -2.938 -11.649 -9.065 1.00 1.09 H new ATOM 0 HB2 ASN A 22 -4.926 -12.633 -11.135 1.00 1.41 H new ATOM 0 HB3 ASN A 22 -4.978 -13.121 -9.452 1.00 1.41 H new ATOM 0 HD21 ASN A 22 -6.355 -9.441 -10.622 1.00 2.35 H new ATOM 0 HD22 ASN A 22 -5.554 -10.542 -11.748 1.00 2.35 H new ATOM 323 N THR A 23 -2.030 -13.845 -11.287 1.00 1.00 N ATOM 324 CA THR A 23 -1.412 -15.138 -11.516 1.00 1.05 C ATOM 325 C THR A 23 0.064 -15.122 -11.108 1.00 1.02 C ATOM 326 O THR A 23 0.715 -16.161 -11.057 1.00 1.21 O ATOM 327 CB THR A 23 -1.553 -15.557 -12.996 1.00 1.19 C ATOM 328 OG1 THR A 23 -1.161 -16.924 -13.182 1.00 1.51 O ATOM 329 CG2 THR A 23 -0.706 -14.670 -13.883 1.00 1.79 C ATOM 0 H THR A 23 -2.103 -13.261 -12.120 1.00 1.00 H new ATOM 0 HA THR A 23 -1.931 -15.869 -10.896 1.00 1.05 H new ATOM 0 HB THR A 23 -2.602 -15.448 -13.271 1.00 1.19 H new ATOM 0 HG1 THR A 23 -0.485 -17.164 -12.514 1.00 1.51 H new ATOM 0 HG21 THR A 23 -0.818 -14.981 -14.922 1.00 1.79 H new ATOM 0 HG22 THR A 23 -1.029 -13.634 -13.777 1.00 1.79 H new ATOM 0 HG23 THR A 23 0.340 -14.755 -13.590 1.00 1.79 H new ATOM 337 N THR A 24 0.587 -13.938 -10.793 1.00 0.87 N ATOM 338 CA THR A 24 1.978 -13.817 -10.377 1.00 0.91 C ATOM 339 C THR A 24 2.087 -13.879 -8.854 1.00 0.98 C ATOM 340 O THR A 24 3.161 -13.686 -8.284 1.00 1.91 O ATOM 341 CB THR A 24 2.617 -12.516 -10.903 1.00 0.88 C ATOM 342 OG1 THR A 24 1.919 -11.375 -10.392 1.00 1.37 O ATOM 343 CG2 THR A 24 2.595 -12.490 -12.424 1.00 1.74 C ATOM 0 H THR A 24 0.072 -13.058 -10.818 1.00 0.87 H new ATOM 0 HA THR A 24 2.524 -14.656 -10.808 1.00 0.91 H new ATOM 0 HB THR A 24 3.652 -12.482 -10.562 1.00 0.88 H new ATOM 0 HG1 THR A 24 0.953 -11.534 -10.440 1.00 1.37 H new ATOM 0 HG21 THR A 24 3.050 -11.565 -12.779 1.00 1.74 H new ATOM 0 HG22 THR A 24 3.155 -13.341 -12.811 1.00 1.74 H new ATOM 0 HG23 THR A 24 1.564 -12.545 -12.774 1.00 1.74 H new ATOM 351 N ASN A 25 0.945 -14.143 -8.213 1.00 0.72 N ATOM 352 CA ASN A 25 0.870 -14.349 -6.763 1.00 0.79 C ATOM 353 C ASN A 25 1.234 -13.092 -5.995 1.00 0.73 C ATOM 354 O ASN A 25 1.960 -13.138 -5.001 1.00 0.72 O ATOM 355 CB ASN A 25 1.759 -15.522 -6.307 1.00 1.00 C ATOM 356 CG ASN A 25 1.245 -16.891 -6.732 1.00 1.96 C ATOM 357 OD1 ASN A 25 1.435 -17.879 -6.022 1.00 2.69 O ATOM 358 ND2 ASN A 25 0.617 -16.977 -7.897 1.00 2.58 N ATOM 0 H ASN A 25 0.044 -14.220 -8.685 1.00 0.72 H new ATOM 0 HA ASN A 25 -0.168 -14.597 -6.540 1.00 0.79 H new ATOM 0 HB2 ASN A 25 2.762 -15.381 -6.709 1.00 1.00 H new ATOM 0 HB3 ASN A 25 1.844 -15.499 -5.221 1.00 1.00 H new ATOM 0 HD21 ASN A 25 0.276 -17.880 -8.227 1.00 2.58 H new ATOM 0 HD22 ASN A 25 0.475 -16.140 -8.463 1.00 2.58 H new ATOM 365 N LEU A 26 0.693 -11.977 -6.447 1.00 0.82 N ATOM 366 CA LEU A 26 0.870 -10.706 -5.764 1.00 0.88 C ATOM 367 C LEU A 26 0.265 -10.761 -4.365 1.00 0.83 C ATOM 368 O LEU A 26 0.729 -10.087 -3.439 1.00 0.86 O ATOM 369 CB LEU A 26 0.196 -9.607 -6.571 1.00 1.08 C ATOM 370 CG LEU A 26 0.183 -8.237 -5.908 1.00 1.91 C ATOM 371 CD1 LEU A 26 1.593 -7.676 -5.816 1.00 2.89 C ATOM 372 CD2 LEU A 26 -0.728 -7.310 -6.681 1.00 2.33 C ATOM 0 H LEU A 26 0.123 -11.924 -7.291 1.00 0.82 H new ATOM 0 HA LEU A 26 1.936 -10.498 -5.672 1.00 0.88 H new ATOM 0 HB2 LEU A 26 0.700 -9.523 -7.534 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -0.832 -9.905 -6.774 1.00 1.08 H new ATOM 0 HG LEU A 26 -0.200 -8.331 -4.892 1.00 1.91 H new ATOM 0 HD11 LEU A 26 1.564 -6.696 -5.339 1.00 2.89 H new ATOM 0 HD12 LEU A 26 2.214 -8.349 -5.225 1.00 2.89 H new ATOM 0 HD13 LEU A 26 2.013 -7.580 -6.817 1.00 2.89 H new ATOM 0 HD21 LEU A 26 -0.737 -6.329 -6.206 1.00 2.33 H new ATOM 0 HD22 LEU A 26 -0.366 -7.214 -7.705 1.00 2.33 H new ATOM 0 HD23 LEU A 26 -1.739 -7.718 -6.691 1.00 2.33 H new ATOM 384 N ASP A 27 -0.772 -11.572 -4.230 1.00 0.81 N ATOM 385 CA ASP A 27 -1.469 -11.756 -2.966 1.00 0.84 C ATOM 386 C ASP A 27 -0.564 -12.447 -1.954 1.00 0.70 C ATOM 387 O ASP A 27 -0.508 -12.056 -0.791 1.00 0.67 O ATOM 388 CB ASP A 27 -2.754 -12.569 -3.185 1.00 1.02 C ATOM 389 CG ASP A 27 -2.505 -13.886 -3.901 1.00 1.52 C ATOM 390 OD1 ASP A 27 -1.935 -13.866 -5.015 1.00 2.28 O ATOM 391 OD2 ASP A 27 -2.871 -14.947 -3.353 1.00 2.00 O ATOM 0 H ASP A 27 -1.156 -12.124 -4.997 1.00 0.81 H new ATOM 0 HA ASP A 27 -1.739 -10.777 -2.570 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -3.221 -12.768 -2.220 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -3.460 -11.974 -3.764 1.00 1.02 H new ATOM 396 N TYR A 28 0.172 -13.452 -2.409 1.00 0.69 N ATOM 397 CA TYR A 28 1.109 -14.152 -1.544 1.00 0.70 C ATOM 398 C TYR A 28 2.264 -13.243 -1.153 1.00 0.63 C ATOM 399 O TYR A 28 2.785 -13.334 -0.038 1.00 0.68 O ATOM 400 CB TYR A 28 1.631 -15.423 -2.215 1.00 0.81 C ATOM 401 CG TYR A 28 0.615 -16.537 -2.243 1.00 1.05 C ATOM 402 CD1 TYR A 28 0.402 -17.326 -1.123 1.00 1.16 C ATOM 403 CD2 TYR A 28 -0.135 -16.797 -3.383 1.00 1.57 C ATOM 404 CE1 TYR A 28 -0.531 -18.342 -1.134 1.00 1.61 C ATOM 405 CE2 TYR A 28 -1.071 -17.812 -3.402 1.00 2.15 C ATOM 406 CZ TYR A 28 -1.264 -18.582 -2.276 1.00 2.13 C ATOM 407 OH TYR A 28 -2.195 -19.594 -2.285 1.00 2.73 O ATOM 0 H TYR A 28 0.138 -13.799 -3.368 1.00 0.69 H new ATOM 0 HA TYR A 28 0.576 -14.441 -0.638 1.00 0.70 H new ATOM 0 HB2 TYR A 28 1.934 -15.190 -3.236 1.00 0.81 H new ATOM 0 HB3 TYR A 28 2.522 -15.765 -1.688 1.00 0.81 H new ATOM 0 HD1 TYR A 28 0.976 -17.142 -0.227 1.00 1.16 H new ATOM 0 HD2 TYR A 28 0.016 -16.196 -4.268 1.00 1.57 H new ATOM 0 HE1 TYR A 28 -0.686 -18.946 -0.252 1.00 1.61 H new ATOM 0 HE2 TYR A 28 -1.649 -18.001 -4.295 1.00 2.15 H new ATOM 0 HH TYR A 28 -2.627 -19.633 -3.164 1.00 2.73 H new ATOM 417 N SER A 29 2.658 -12.364 -2.066 1.00 0.59 N ATOM 418 CA SER A 29 3.700 -11.397 -1.772 1.00 0.62 C ATOM 419 C SER A 29 3.221 -10.423 -0.710 1.00 0.51 C ATOM 420 O SER A 29 3.966 -10.066 0.197 1.00 0.53 O ATOM 421 CB SER A 29 4.087 -10.614 -3.020 1.00 0.73 C ATOM 422 OG SER A 29 4.254 -11.469 -4.135 1.00 0.81 O ATOM 0 H SER A 29 2.273 -12.303 -3.009 1.00 0.59 H new ATOM 0 HA SER A 29 4.571 -11.944 -1.411 1.00 0.62 H new ATOM 0 HB2 SER A 29 3.318 -9.873 -3.240 1.00 0.73 H new ATOM 0 HB3 SER A 29 5.012 -10.068 -2.836 1.00 0.73 H new ATOM 0 HG SER A 29 3.384 -11.834 -4.401 1.00 0.81 H new ATOM 428 N ARG A 30 1.963 -10.013 -0.828 1.00 0.48 N ATOM 429 CA ARG A 30 1.381 -9.032 0.077 1.00 0.45 C ATOM 430 C ARG A 30 1.541 -9.475 1.527 1.00 0.46 C ATOM 431 O ARG A 30 1.882 -8.673 2.392 1.00 0.56 O ATOM 432 CB ARG A 30 -0.098 -8.823 -0.258 1.00 0.52 C ATOM 433 CG ARG A 30 -0.503 -7.361 -0.408 1.00 0.49 C ATOM 434 CD ARG A 30 0.304 -6.670 -1.496 1.00 0.76 C ATOM 435 NE ARG A 30 1.442 -5.923 -0.955 1.00 1.55 N ATOM 436 CZ ARG A 30 2.647 -5.872 -1.527 1.00 2.24 C ATOM 437 NH1 ARG A 30 2.924 -6.639 -2.578 1.00 2.43 N ATOM 438 NH2 ARG A 30 3.581 -5.070 -1.026 1.00 3.24 N ATOM 0 H ARG A 30 1.323 -10.349 -1.548 1.00 0.48 H new ATOM 0 HA ARG A 30 1.908 -8.086 -0.049 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -0.327 -9.349 -1.185 1.00 0.52 H new ATOM 0 HB3 ARG A 30 -0.704 -9.278 0.525 1.00 0.52 H new ATOM 0 HG2 ARG A 30 -1.565 -7.299 -0.646 1.00 0.49 H new ATOM 0 HG3 ARG A 30 -0.357 -6.843 0.540 1.00 0.49 H new ATOM 0 HD2 ARG A 30 0.665 -7.414 -2.205 1.00 0.76 H new ATOM 0 HD3 ARG A 30 -0.344 -5.990 -2.049 1.00 0.76 H new ATOM 0 HE ARG A 30 1.305 -5.409 -0.085 1.00 1.55 H new ATOM 0 HH11 ARG A 30 2.214 -7.270 -2.950 1.00 2.43 H new ATOM 0 HH12 ARG A 30 3.846 -6.596 -3.012 1.00 2.43 H new ATOM 0 HH21 ARG A 30 3.376 -4.497 -0.208 1.00 3.24 H new ATOM 0 HH22 ARG A 30 4.503 -5.028 -1.460 1.00 3.24 H new ATOM 452 N ARG A 31 1.343 -10.763 1.774 1.00 0.45 N ATOM 453 CA ARG A 31 1.415 -11.304 3.126 1.00 0.47 C ATOM 454 C ARG A 31 2.822 -11.162 3.711 1.00 0.45 C ATOM 455 O ARG A 31 2.981 -10.729 4.851 1.00 0.50 O ATOM 456 CB ARG A 31 0.989 -12.775 3.139 1.00 0.53 C ATOM 457 CG ARG A 31 0.751 -13.323 4.539 1.00 1.14 C ATOM 458 CD ARG A 31 0.261 -14.762 4.512 1.00 1.21 C ATOM 459 NE ARG A 31 1.296 -15.691 4.063 1.00 1.89 N ATOM 460 CZ ARG A 31 1.097 -17.002 3.914 1.00 2.16 C ATOM 461 NH1 ARG A 31 -0.115 -17.515 4.075 1.00 1.87 N ATOM 462 NH2 ARG A 31 2.106 -17.790 3.571 1.00 3.18 N ATOM 0 H ARG A 31 1.131 -11.454 1.055 1.00 0.45 H new ATOM 0 HA ARG A 31 0.729 -10.728 3.748 1.00 0.47 H new ATOM 0 HB2 ARG A 31 0.077 -12.887 2.553 1.00 0.53 H new ATOM 0 HB3 ARG A 31 1.758 -13.373 2.649 1.00 0.53 H new ATOM 0 HG2 ARG A 31 1.676 -13.266 5.113 1.00 1.14 H new ATOM 0 HG3 ARG A 31 0.018 -12.700 5.052 1.00 1.14 H new ATOM 0 HD2 ARG A 31 -0.074 -15.048 5.509 1.00 1.21 H new ATOM 0 HD3 ARG A 31 -0.603 -14.837 3.852 1.00 1.21 H new ATOM 0 HE ARG A 31 2.221 -15.317 3.852 1.00 1.89 H new ATOM 0 HH11 ARG A 31 -0.899 -16.907 4.313 1.00 1.87 H new ATOM 0 HH12 ARG A 31 -0.264 -18.518 3.960 1.00 1.87 H new ATOM 0 HH21 ARG A 31 3.034 -17.394 3.421 1.00 3.18 H new ATOM 0 HH22 ARG A 31 1.954 -18.792 3.457 1.00 3.18 H new ATOM 476 N PHE A 32 3.845 -11.502 2.928 1.00 0.45 N ATOM 477 CA PHE A 32 5.214 -11.481 3.436 1.00 0.53 C ATOM 478 C PHE A 32 5.800 -10.069 3.341 1.00 0.53 C ATOM 479 O PHE A 32 6.876 -9.786 3.868 1.00 0.57 O ATOM 480 CB PHE A 32 6.085 -12.525 2.701 1.00 0.66 C ATOM 481 CG PHE A 32 6.864 -12.038 1.505 1.00 0.57 C ATOM 482 CD1 PHE A 32 8.126 -11.487 1.660 1.00 0.66 C ATOM 483 CD2 PHE A 32 6.316 -12.092 0.230 1.00 0.88 C ATOM 484 CE1 PHE A 32 8.829 -11.007 0.568 1.00 0.93 C ATOM 485 CE2 PHE A 32 7.016 -11.619 -0.863 1.00 1.10 C ATOM 486 CZ PHE A 32 8.334 -11.205 -0.707 1.00 1.08 C ATOM 0 H PHE A 32 3.754 -11.791 1.954 1.00 0.45 H new ATOM 0 HA PHE A 32 5.204 -11.757 4.490 1.00 0.53 H new ATOM 0 HB2 PHE A 32 6.790 -12.945 3.418 1.00 0.66 H new ATOM 0 HB3 PHE A 32 5.438 -13.340 2.376 1.00 0.66 H new ATOM 0 HD1 PHE A 32 8.567 -11.431 2.644 1.00 0.66 H new ATOM 0 HD2 PHE A 32 5.330 -12.509 0.091 1.00 0.88 H new ATOM 0 HE1 PHE A 32 9.761 -10.480 0.712 1.00 0.93 H new ATOM 0 HE2 PHE A 32 6.542 -11.571 -1.832 1.00 1.10 H new ATOM 0 HZ PHE A 32 8.962 -11.040 -1.570 1.00 1.08 H new ATOM 496 N LEU A 33 5.054 -9.188 2.691 1.00 0.51 N ATOM 497 CA LEU A 33 5.438 -7.790 2.529 1.00 0.53 C ATOM 498 C LEU A 33 4.967 -6.948 3.710 1.00 0.45 C ATOM 499 O LEU A 33 5.353 -5.787 3.845 1.00 0.44 O ATOM 500 CB LEU A 33 4.869 -7.217 1.228 1.00 0.60 C ATOM 501 CG LEU A 33 5.893 -6.974 0.112 1.00 0.93 C ATOM 502 CD1 LEU A 33 7.013 -6.075 0.601 1.00 0.92 C ATOM 503 CD2 LEU A 33 6.453 -8.281 -0.415 1.00 1.70 C ATOM 0 H LEU A 33 4.161 -9.422 2.258 1.00 0.51 H new ATOM 0 HA LEU A 33 6.527 -7.753 2.488 1.00 0.53 H new ATOM 0 HB2 LEU A 33 4.105 -7.899 0.854 1.00 0.60 H new ATOM 0 HB3 LEU A 33 4.372 -6.273 1.453 1.00 0.60 H new ATOM 0 HG LEU A 33 5.379 -6.474 -0.709 1.00 0.93 H new ATOM 0 HD11 LEU A 33 7.729 -5.915 -0.205 1.00 0.92 H new ATOM 0 HD12 LEU A 33 6.599 -5.117 0.915 1.00 0.92 H new ATOM 0 HD13 LEU A 33 7.516 -6.547 1.445 1.00 0.92 H new ATOM 0 HD21 LEU A 33 7.176 -8.075 -1.205 1.00 1.70 H new ATOM 0 HD22 LEU A 33 6.944 -8.819 0.395 1.00 1.70 H new ATOM 0 HD23 LEU A 33 5.642 -8.889 -0.815 1.00 1.70 H new ATOM 515 N GLU A 34 4.137 -7.540 4.562 1.00 0.39 N ATOM 516 CA GLU A 34 3.522 -6.807 5.670 1.00 0.35 C ATOM 517 C GLU A 34 4.596 -6.210 6.597 1.00 0.35 C ATOM 518 O GLU A 34 4.580 -5.008 6.856 1.00 0.30 O ATOM 519 CB GLU A 34 2.548 -7.708 6.449 1.00 0.39 C ATOM 520 CG GLU A 34 1.643 -6.964 7.430 1.00 0.43 C ATOM 521 CD GLU A 34 2.270 -6.734 8.793 1.00 0.78 C ATOM 522 OE1 GLU A 34 2.356 -7.688 9.592 1.00 1.17 O ATOM 523 OE2 GLU A 34 2.713 -5.599 9.061 1.00 1.26 O ATOM 0 H GLU A 34 3.873 -8.524 4.509 1.00 0.39 H new ATOM 0 HA GLU A 34 2.948 -5.980 5.253 1.00 0.35 H new ATOM 0 HB2 GLU A 34 1.924 -8.248 5.737 1.00 0.39 H new ATOM 0 HB3 GLU A 34 3.123 -8.453 6.998 1.00 0.39 H new ATOM 0 HG2 GLU A 34 1.371 -6.000 6.999 1.00 0.43 H new ATOM 0 HG3 GLU A 34 0.719 -7.529 7.557 1.00 0.43 H new ATOM 530 N PRO A 35 5.564 -7.024 7.086 1.00 0.43 N ATOM 531 CA PRO A 35 6.637 -6.528 7.962 1.00 0.48 C ATOM 532 C PRO A 35 7.479 -5.436 7.304 1.00 0.45 C ATOM 533 O PRO A 35 8.040 -4.575 7.983 1.00 0.47 O ATOM 534 CB PRO A 35 7.504 -7.763 8.226 1.00 0.63 C ATOM 535 CG PRO A 35 6.642 -8.934 7.900 1.00 0.79 C ATOM 536 CD PRO A 35 5.684 -8.473 6.844 1.00 0.50 C ATOM 0 HA PRO A 35 6.227 -6.075 8.865 1.00 0.48 H new ATOM 0 HB2 PRO A 35 8.401 -7.752 7.607 1.00 0.63 H new ATOM 0 HB3 PRO A 35 7.834 -7.796 9.264 1.00 0.63 H new ATOM 0 HG2 PRO A 35 7.242 -9.770 7.542 1.00 0.79 H new ATOM 0 HG3 PRO A 35 6.108 -9.281 8.784 1.00 0.79 H new ATOM 0 HD2 PRO A 35 6.062 -8.681 5.843 1.00 0.50 H new ATOM 0 HD3 PRO A 35 4.720 -8.974 6.932 1.00 0.50 H new ATOM 544 N PHE A 36 7.559 -5.472 5.980 1.00 0.44 N ATOM 545 CA PHE A 36 8.359 -4.508 5.234 1.00 0.49 C ATOM 546 C PHE A 36 7.600 -3.194 5.075 1.00 0.39 C ATOM 547 O PHE A 36 8.185 -2.110 5.136 1.00 0.43 O ATOM 548 CB PHE A 36 8.739 -5.092 3.867 1.00 0.62 C ATOM 549 CG PHE A 36 9.703 -4.251 3.069 1.00 0.66 C ATOM 550 CD1 PHE A 36 10.807 -3.665 3.671 1.00 0.79 C ATOM 551 CD2 PHE A 36 9.506 -4.051 1.711 1.00 1.36 C ATOM 552 CE1 PHE A 36 11.693 -2.898 2.935 1.00 1.21 C ATOM 553 CE2 PHE A 36 10.388 -3.286 0.969 1.00 2.02 C ATOM 554 CZ PHE A 36 11.482 -2.709 1.582 1.00 1.87 C ATOM 0 H PHE A 36 7.079 -6.160 5.399 1.00 0.44 H new ATOM 0 HA PHE A 36 9.274 -4.301 5.788 1.00 0.49 H new ATOM 0 HB2 PHE A 36 9.177 -6.079 4.018 1.00 0.62 H new ATOM 0 HB3 PHE A 36 7.830 -5.233 3.282 1.00 0.62 H new ATOM 0 HD1 PHE A 36 10.977 -3.809 4.728 1.00 0.79 H new ATOM 0 HD2 PHE A 36 8.652 -4.499 1.226 1.00 1.36 H new ATOM 0 HE1 PHE A 36 12.548 -2.448 3.417 1.00 1.21 H new ATOM 0 HE2 PHE A 36 10.221 -3.140 -0.088 1.00 2.02 H new ATOM 0 HZ PHE A 36 12.172 -2.111 1.005 1.00 1.87 H new ATOM 564 N LEU A 37 6.292 -3.304 4.903 1.00 0.30 N ATOM 565 CA LEU A 37 5.434 -2.141 4.709 1.00 0.29 C ATOM 566 C LEU A 37 5.071 -1.499 6.040 1.00 0.24 C ATOM 567 O LEU A 37 4.710 -0.327 6.095 1.00 0.27 O ATOM 568 CB LEU A 37 4.162 -2.551 3.965 1.00 0.31 C ATOM 569 CG LEU A 37 4.253 -2.573 2.434 1.00 0.57 C ATOM 570 CD1 LEU A 37 5.648 -2.951 1.959 1.00 0.90 C ATOM 571 CD2 LEU A 37 3.238 -3.552 1.882 1.00 1.18 C ATOM 0 H LEU A 37 5.796 -4.195 4.894 1.00 0.30 H new ATOM 0 HA LEU A 37 5.982 -1.409 4.116 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.870 -3.545 4.306 1.00 0.31 H new ATOM 0 HB3 LEU A 37 3.362 -1.868 4.251 1.00 0.31 H new ATOM 0 HG LEU A 37 4.039 -1.569 2.068 1.00 0.57 H new ATOM 0 HD11 LEU A 37 5.672 -2.956 0.869 1.00 0.90 H new ATOM 0 HD12 LEU A 37 6.369 -2.226 2.335 1.00 0.90 H new ATOM 0 HD13 LEU A 37 5.903 -3.943 2.332 1.00 0.90 H new ATOM 0 HD21 LEU A 37 3.302 -3.568 0.794 1.00 1.18 H new ATOM 0 HD22 LEU A 37 3.444 -4.549 2.272 1.00 1.18 H new ATOM 0 HD23 LEU A 37 2.236 -3.245 2.182 1.00 1.18 H new ATOM 583 N ARG A 38 5.144 -2.284 7.104 1.00 0.24 N ATOM 584 CA ARG A 38 4.884 -1.797 8.451 1.00 0.31 C ATOM 585 C ARG A 38 5.784 -0.606 8.787 1.00 0.30 C ATOM 586 O ARG A 38 6.947 -0.777 9.156 1.00 0.41 O ATOM 587 CB ARG A 38 5.122 -2.939 9.443 1.00 0.44 C ATOM 588 CG ARG A 38 4.619 -2.660 10.848 1.00 0.82 C ATOM 589 CD ARG A 38 4.938 -3.813 11.785 1.00 1.06 C ATOM 590 NE ARG A 38 4.476 -5.102 11.260 1.00 2.16 N ATOM 591 CZ ARG A 38 4.903 -6.279 11.713 1.00 2.73 C ATOM 592 NH1 ARG A 38 5.793 -6.333 12.694 1.00 2.36 N ATOM 593 NH2 ARG A 38 4.437 -7.408 11.195 1.00 3.90 N ATOM 0 H ARG A 38 5.384 -3.274 7.059 1.00 0.24 H new ATOM 0 HA ARG A 38 3.850 -1.458 8.516 1.00 0.31 H new ATOM 0 HB2 ARG A 38 4.635 -3.839 9.067 1.00 0.44 H new ATOM 0 HB3 ARG A 38 6.191 -3.150 9.487 1.00 0.44 H new ATOM 0 HG2 ARG A 38 5.075 -1.745 11.225 1.00 0.82 H new ATOM 0 HG3 ARG A 38 3.542 -2.494 10.825 1.00 0.82 H new ATOM 0 HD2 ARG A 38 6.014 -3.856 11.951 1.00 1.06 H new ATOM 0 HD3 ARG A 38 4.473 -3.630 12.754 1.00 1.06 H new ATOM 0 HE ARG A 38 3.789 -5.097 10.506 1.00 2.16 H new ATOM 0 HH11 ARG A 38 6.153 -5.471 13.104 1.00 2.36 H new ATOM 0 HH12 ARG A 38 6.118 -7.236 13.039 1.00 2.36 H new ATOM 0 HH21 ARG A 38 3.747 -7.378 10.445 1.00 3.90 H new ATOM 0 HH22 ARG A 38 4.769 -8.306 11.547 1.00 3.90 H new ATOM 607 N GLY A 39 5.245 0.600 8.643 1.00 0.28 N ATOM 608 CA GLY A 39 6.002 1.797 8.954 1.00 0.31 C ATOM 609 C GLY A 39 6.478 2.535 7.715 1.00 0.28 C ATOM 610 O GLY A 39 7.608 3.023 7.678 1.00 0.35 O ATOM 0 H GLY A 39 4.294 0.769 8.315 1.00 0.28 H new ATOM 0 HA2 GLY A 39 5.384 2.465 9.554 1.00 0.31 H new ATOM 0 HA3 GLY A 39 6.864 1.527 9.563 1.00 0.31 H new ATOM 614 N ILE A 40 5.631 2.615 6.694 1.00 0.24 N ATOM 615 CA ILE A 40 5.980 3.357 5.477 1.00 0.22 C ATOM 616 C ILE A 40 4.939 4.438 5.213 1.00 0.21 C ATOM 617 O ILE A 40 3.969 4.548 5.951 1.00 0.21 O ATOM 618 CB ILE A 40 6.102 2.450 4.225 1.00 0.21 C ATOM 619 CG1 ILE A 40 4.754 1.816 3.868 1.00 0.18 C ATOM 620 CG2 ILE A 40 7.164 1.378 4.443 1.00 0.21 C ATOM 621 CD1 ILE A 40 4.755 1.070 2.549 1.00 0.19 C ATOM 0 H ILE A 40 4.707 2.182 6.679 1.00 0.24 H new ATOM 0 HA ILE A 40 6.960 3.800 5.653 1.00 0.22 H new ATOM 0 HB ILE A 40 6.409 3.073 3.385 1.00 0.21 H new ATOM 0 HG12 ILE A 40 4.466 1.128 4.663 1.00 0.18 H new ATOM 0 HG13 ILE A 40 3.995 2.597 3.832 1.00 0.18 H new ATOM 0 HG21 ILE A 40 7.236 0.751 3.554 1.00 0.21 H new ATOM 0 HG22 ILE A 40 8.127 1.853 4.631 1.00 0.21 H new ATOM 0 HG23 ILE A 40 6.889 0.763 5.300 1.00 0.21 H new ATOM 0 HD11 ILE A 40 3.766 0.650 2.368 1.00 0.19 H new ATOM 0 HD12 ILE A 40 5.011 1.757 1.743 1.00 0.19 H new ATOM 0 HD13 ILE A 40 5.489 0.265 2.587 1.00 0.19 H new ATOM 633 N ASN A 41 5.149 5.249 4.189 1.00 0.21 N ATOM 634 CA ASN A 41 4.148 6.231 3.790 1.00 0.20 C ATOM 635 C ASN A 41 3.864 6.093 2.302 1.00 0.16 C ATOM 636 O ASN A 41 4.779 5.908 1.498 1.00 0.18 O ATOM 637 CB ASN A 41 4.591 7.664 4.130 1.00 0.29 C ATOM 638 CG ASN A 41 5.600 8.245 3.151 1.00 0.99 C ATOM 639 OD1 ASN A 41 5.230 8.889 2.168 1.00 2.00 O ATOM 640 ND2 ASN A 41 6.880 8.042 3.421 1.00 1.23 N ATOM 0 H ASN A 41 5.996 5.249 3.621 1.00 0.21 H new ATOM 0 HA ASN A 41 3.234 6.037 4.351 1.00 0.20 H new ATOM 0 HB2 ASN A 41 3.713 8.309 4.157 1.00 0.29 H new ATOM 0 HB3 ASN A 41 5.023 7.673 5.130 1.00 0.29 H new ATOM 0 HD21 ASN A 41 7.598 8.424 2.805 1.00 1.23 H new ATOM 0 HD22 ASN A 41 7.148 7.503 4.245 1.00 1.23 H new ATOM 647 N VAL A 42 2.590 6.143 1.945 1.00 0.13 N ATOM 648 CA VAL A 42 2.179 6.019 0.555 1.00 0.14 C ATOM 649 C VAL A 42 1.163 7.094 0.196 1.00 0.15 C ATOM 650 O VAL A 42 0.366 7.522 1.033 1.00 0.18 O ATOM 651 CB VAL A 42 1.569 4.628 0.253 1.00 0.16 C ATOM 652 CG1 VAL A 42 2.622 3.536 0.360 1.00 0.17 C ATOM 653 CG2 VAL A 42 0.398 4.334 1.183 1.00 0.19 C ATOM 0 H VAL A 42 1.820 6.269 2.602 1.00 0.13 H new ATOM 0 HA VAL A 42 3.077 6.142 -0.050 1.00 0.14 H new ATOM 0 HB VAL A 42 1.197 4.643 -0.771 1.00 0.16 H new ATOM 0 HG11 VAL A 42 2.167 2.569 0.143 1.00 0.17 H new ATOM 0 HG12 VAL A 42 3.421 3.730 -0.356 1.00 0.17 H new ATOM 0 HG13 VAL A 42 3.034 3.525 1.369 1.00 0.17 H new ATOM 0 HG21 VAL A 42 -0.013 3.352 0.951 1.00 0.19 H new ATOM 0 HG22 VAL A 42 0.742 4.348 2.217 1.00 0.19 H new ATOM 0 HG23 VAL A 42 -0.374 5.092 1.047 1.00 0.19 H new ATOM 663 N VAL A 43 1.208 7.532 -1.048 1.00 0.18 N ATOM 664 CA VAL A 43 0.268 8.514 -1.550 1.00 0.22 C ATOM 665 C VAL A 43 -0.948 7.802 -2.131 1.00 0.20 C ATOM 666 O VAL A 43 -0.865 7.158 -3.176 1.00 0.20 O ATOM 667 CB VAL A 43 0.917 9.406 -2.629 1.00 0.28 C ATOM 668 CG1 VAL A 43 -0.048 10.482 -3.098 1.00 0.88 C ATOM 669 CG2 VAL A 43 2.201 10.030 -2.102 1.00 0.75 C ATOM 0 H VAL A 43 1.894 7.219 -1.735 1.00 0.18 H new ATOM 0 HA VAL A 43 -0.038 9.153 -0.722 1.00 0.22 H new ATOM 0 HB VAL A 43 1.163 8.778 -3.485 1.00 0.28 H new ATOM 0 HG11 VAL A 43 0.434 11.097 -3.858 1.00 0.88 H new ATOM 0 HG12 VAL A 43 -0.937 10.014 -3.520 1.00 0.88 H new ATOM 0 HG13 VAL A 43 -0.334 11.108 -2.253 1.00 0.88 H new ATOM 0 HG21 VAL A 43 2.646 10.656 -2.876 1.00 0.75 H new ATOM 0 HG22 VAL A 43 1.977 10.640 -1.227 1.00 0.75 H new ATOM 0 HG23 VAL A 43 2.902 9.242 -1.826 1.00 0.75 H new ATOM 679 N TYR A 44 -2.065 7.917 -1.440 1.00 0.21 N ATOM 680 CA TYR A 44 -3.293 7.256 -1.841 1.00 0.22 C ATOM 681 C TYR A 44 -4.084 8.144 -2.786 1.00 0.22 C ATOM 682 O TYR A 44 -4.498 9.248 -2.425 1.00 0.24 O ATOM 683 CB TYR A 44 -4.128 6.916 -0.603 1.00 0.27 C ATOM 684 CG TYR A 44 -5.572 6.562 -0.901 1.00 0.32 C ATOM 685 CD1 TYR A 44 -5.887 5.405 -1.600 1.00 0.39 C ATOM 686 CD2 TYR A 44 -6.616 7.385 -0.496 1.00 0.42 C ATOM 687 CE1 TYR A 44 -7.196 5.075 -1.886 1.00 0.47 C ATOM 688 CE2 TYR A 44 -7.930 7.061 -0.779 1.00 0.50 C ATOM 689 CZ TYR A 44 -8.229 5.921 -1.422 1.00 0.50 C ATOM 690 OH TYR A 44 -9.521 5.573 -1.760 1.00 0.59 O ATOM 0 H TYR A 44 -2.148 8.470 -0.587 1.00 0.21 H new ATOM 0 HA TYR A 44 -3.045 6.332 -2.363 1.00 0.22 H new ATOM 0 HB2 TYR A 44 -3.661 6.079 -0.083 1.00 0.27 H new ATOM 0 HB3 TYR A 44 -4.108 7.766 0.079 1.00 0.27 H new ATOM 0 HD1 TYR A 44 -5.092 4.750 -1.926 1.00 0.39 H new ATOM 0 HD2 TYR A 44 -6.398 8.292 0.048 1.00 0.42 H new ATOM 0 HE1 TYR A 44 -7.427 4.186 -2.454 1.00 0.47 H new ATOM 0 HE2 TYR A 44 -8.723 7.731 -0.480 1.00 0.50 H new ATOM 0 HH TYR A 44 -10.145 6.228 -1.384 1.00 0.59 H new ATOM 700 N THR A 45 -4.270 7.662 -4.002 1.00 0.24 N ATOM 701 CA THR A 45 -5.044 8.378 -4.993 1.00 0.28 C ATOM 702 C THR A 45 -6.463 7.818 -5.032 1.00 0.28 C ATOM 703 O THR A 45 -6.692 6.721 -5.536 1.00 0.30 O ATOM 704 CB THR A 45 -4.393 8.265 -6.384 1.00 0.36 C ATOM 705 OG1 THR A 45 -2.997 8.579 -6.285 1.00 1.08 O ATOM 706 CG2 THR A 45 -5.056 9.209 -7.377 1.00 1.10 C ATOM 0 H THR A 45 -3.892 6.772 -4.326 1.00 0.24 H new ATOM 0 HA THR A 45 -5.075 9.432 -4.718 1.00 0.28 H new ATOM 0 HB THR A 45 -4.522 7.244 -6.742 1.00 0.36 H new ATOM 0 HG1 THR A 45 -2.582 8.506 -7.170 1.00 1.08 H new ATOM 0 HG21 THR A 45 -4.576 9.108 -8.351 1.00 1.10 H new ATOM 0 HG22 THR A 45 -6.113 8.960 -7.466 1.00 1.10 H new ATOM 0 HG23 THR A 45 -4.954 10.236 -7.027 1.00 1.10 H new ATOM 714 N PRO A 46 -7.426 8.561 -4.481 1.00 0.31 N ATOM 715 CA PRO A 46 -8.811 8.114 -4.371 1.00 0.35 C ATOM 716 C PRO A 46 -9.546 8.156 -5.704 1.00 0.38 C ATOM 717 O PRO A 46 -9.380 9.091 -6.491 1.00 0.38 O ATOM 718 CB PRO A 46 -9.441 9.114 -3.384 1.00 0.40 C ATOM 719 CG PRO A 46 -8.307 9.926 -2.849 1.00 0.47 C ATOM 720 CD PRO A 46 -7.250 9.896 -3.911 1.00 0.37 C ATOM 0 HA PRO A 46 -8.871 7.076 -4.044 1.00 0.35 H new ATOM 0 HB2 PRO A 46 -10.174 9.747 -3.883 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -9.963 8.594 -2.581 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -8.622 10.948 -2.639 1.00 0.47 H new ATOM 0 HG3 PRO A 46 -7.934 9.509 -1.914 1.00 0.47 H new ATOM 0 HD2 PRO A 46 -7.397 10.679 -4.655 1.00 0.37 H new ATOM 0 HD3 PRO A 46 -6.251 10.034 -3.496 1.00 0.37 H new ATOM 728 N PRO A 47 -10.345 7.118 -5.989 1.00 0.45 N ATOM 729 CA PRO A 47 -11.241 7.110 -7.141 1.00 0.56 C ATOM 730 C PRO A 47 -12.232 8.268 -7.066 1.00 0.59 C ATOM 731 O PRO A 47 -12.641 8.684 -5.981 1.00 0.56 O ATOM 732 CB PRO A 47 -11.962 5.760 -7.038 1.00 0.62 C ATOM 733 CG PRO A 47 -11.078 4.919 -6.181 1.00 0.55 C ATOM 734 CD PRO A 47 -10.414 5.864 -5.225 1.00 0.49 C ATOM 0 HA PRO A 47 -10.713 7.231 -8.087 1.00 0.56 H new ATOM 0 HB2 PRO A 47 -12.951 5.873 -6.594 1.00 0.62 H new ATOM 0 HB3 PRO A 47 -12.103 5.311 -8.021 1.00 0.62 H new ATOM 0 HG2 PRO A 47 -11.655 4.164 -5.647 1.00 0.55 H new ATOM 0 HG3 PRO A 47 -10.340 4.389 -6.783 1.00 0.55 H new ATOM 0 HD2 PRO A 47 -10.992 5.982 -4.308 1.00 0.49 H new ATOM 0 HD3 PRO A 47 -9.423 5.514 -4.935 1.00 0.49 H new ATOM 742 N GLN A 48 -12.607 8.775 -8.234 1.00 0.70 N ATOM 743 CA GLN A 48 -13.359 10.024 -8.357 1.00 0.79 C ATOM 744 C GLN A 48 -14.677 10.003 -7.583 1.00 0.77 C ATOM 745 O GLN A 48 -15.180 11.050 -7.187 1.00 0.83 O ATOM 746 CB GLN A 48 -13.623 10.314 -9.833 1.00 0.96 C ATOM 747 CG GLN A 48 -12.365 10.263 -10.687 1.00 1.50 C ATOM 748 CD GLN A 48 -11.336 11.310 -10.300 1.00 1.79 C ATOM 749 OE1 GLN A 48 -11.677 12.407 -9.865 1.00 2.22 O ATOM 750 NE2 GLN A 48 -10.066 10.968 -10.439 1.00 2.18 N ATOM 0 H GLN A 48 -12.398 8.331 -9.129 1.00 0.70 H new ATOM 0 HA GLN A 48 -12.751 10.815 -7.918 1.00 0.79 H new ATOM 0 HB2 GLN A 48 -14.344 9.591 -10.216 1.00 0.96 H new ATOM 0 HB3 GLN A 48 -14.079 11.300 -9.927 1.00 0.96 H new ATOM 0 HG2 GLN A 48 -11.916 9.273 -10.602 1.00 1.50 H new ATOM 0 HG3 GLN A 48 -12.638 10.401 -11.733 1.00 1.50 H new ATOM 0 HE21 GLN A 48 -9.823 10.047 -10.804 1.00 2.18 H new ATOM 0 HE22 GLN A 48 -9.330 11.625 -10.181 1.00 2.18 H new ATOM 759 N SER A 49 -15.219 8.814 -7.358 1.00 0.72 N ATOM 760 CA SER A 49 -16.482 8.668 -6.643 1.00 0.74 C ATOM 761 C SER A 49 -16.307 8.916 -5.136 1.00 0.71 C ATOM 762 O SER A 49 -17.286 9.018 -4.393 1.00 0.78 O ATOM 763 CB SER A 49 -17.052 7.270 -6.896 1.00 0.77 C ATOM 764 OG SER A 49 -18.313 7.096 -6.270 1.00 1.75 O ATOM 0 H SER A 49 -14.803 7.933 -7.661 1.00 0.72 H new ATOM 0 HA SER A 49 -17.180 9.417 -7.016 1.00 0.74 H new ATOM 0 HB2 SER A 49 -17.153 7.107 -7.969 1.00 0.77 H new ATOM 0 HB3 SER A 49 -16.354 6.520 -6.524 1.00 0.77 H new ATOM 0 HG SER A 49 -18.395 7.721 -5.519 1.00 1.75 H new ATOM 770 N PHE A 50 -15.060 9.005 -4.685 1.00 0.65 N ATOM 771 CA PHE A 50 -14.782 9.271 -3.279 1.00 0.64 C ATOM 772 C PHE A 50 -14.757 10.763 -2.990 1.00 0.71 C ATOM 773 O PHE A 50 -15.041 11.187 -1.870 1.00 0.77 O ATOM 774 CB PHE A 50 -13.465 8.635 -2.841 1.00 0.57 C ATOM 775 CG PHE A 50 -13.577 7.163 -2.569 1.00 0.53 C ATOM 776 CD1 PHE A 50 -13.894 6.699 -1.305 1.00 0.59 C ATOM 777 CD2 PHE A 50 -13.358 6.243 -3.581 1.00 0.60 C ATOM 778 CE1 PHE A 50 -13.994 5.342 -1.055 1.00 0.66 C ATOM 779 CE2 PHE A 50 -13.457 4.888 -3.338 1.00 0.68 C ATOM 780 CZ PHE A 50 -13.791 4.441 -2.054 1.00 0.68 C ATOM 0 H PHE A 50 -14.231 8.898 -5.269 1.00 0.65 H new ATOM 0 HA PHE A 50 -15.592 8.821 -2.705 1.00 0.64 H new ATOM 0 HB2 PHE A 50 -12.716 8.798 -3.616 1.00 0.57 H new ATOM 0 HB3 PHE A 50 -13.108 9.137 -1.942 1.00 0.57 H new ATOM 0 HD1 PHE A 50 -14.065 7.404 -0.505 1.00 0.59 H new ATOM 0 HD2 PHE A 50 -13.107 6.590 -4.572 1.00 0.60 H new ATOM 0 HE1 PHE A 50 -14.235 4.996 -0.061 1.00 0.66 H new ATOM 0 HE2 PHE A 50 -13.278 4.178 -4.132 1.00 0.68 H new ATOM 0 HZ PHE A 50 -13.887 3.383 -1.857 1.00 0.68 H new ATOM 790 N GLN A 51 -14.385 11.549 -4.009 1.00 0.72 N ATOM 791 CA GLN A 51 -14.400 13.011 -3.929 1.00 0.79 C ATOM 792 C GLN A 51 -13.310 13.508 -2.986 1.00 0.66 C ATOM 793 O GLN A 51 -13.512 14.448 -2.221 1.00 0.83 O ATOM 794 CB GLN A 51 -15.778 13.531 -3.493 1.00 1.07 C ATOM 795 CG GLN A 51 -16.894 13.189 -4.471 1.00 1.23 C ATOM 796 CD GLN A 51 -18.252 13.714 -4.036 1.00 1.98 C ATOM 797 OE1 GLN A 51 -19.286 13.113 -4.330 1.00 2.73 O ATOM 798 NE2 GLN A 51 -18.263 14.835 -3.332 1.00 2.45 N ATOM 0 H GLN A 51 -14.067 11.188 -4.908 1.00 0.72 H new ATOM 0 HA GLN A 51 -14.198 13.404 -4.926 1.00 0.79 H new ATOM 0 HB2 GLN A 51 -16.022 13.115 -2.516 1.00 1.07 H new ATOM 0 HB3 GLN A 51 -15.728 14.613 -3.375 1.00 1.07 H new ATOM 0 HG2 GLN A 51 -16.649 13.600 -5.450 1.00 1.23 H new ATOM 0 HG3 GLN A 51 -16.950 12.106 -4.585 1.00 1.23 H new ATOM 0 HE21 GLN A 51 -17.386 15.305 -3.108 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -19.149 15.229 -3.014 1.00 2.45 H new ATOM 807 N SER A 52 -12.149 12.874 -3.063 1.00 0.53 N ATOM 808 CA SER A 52 -11.031 13.209 -2.198 1.00 0.50 C ATOM 809 C SER A 52 -9.758 13.380 -3.019 1.00 0.42 C ATOM 810 O SER A 52 -9.522 12.639 -3.975 1.00 0.44 O ATOM 811 CB SER A 52 -10.840 12.108 -1.149 1.00 0.55 C ATOM 812 OG SER A 52 -9.806 12.426 -0.228 1.00 1.21 O ATOM 0 H SER A 52 -11.958 12.119 -3.722 1.00 0.53 H new ATOM 0 HA SER A 52 -11.245 14.151 -1.692 1.00 0.50 H new ATOM 0 HB2 SER A 52 -11.774 11.957 -0.608 1.00 0.55 H new ATOM 0 HB3 SER A 52 -10.605 11.168 -1.648 1.00 0.55 H new ATOM 0 HG SER A 52 -9.716 11.701 0.426 1.00 1.21 H new ATOM 818 N ALA A 53 -8.959 14.372 -2.657 1.00 0.48 N ATOM 819 CA ALA A 53 -7.666 14.593 -3.286 1.00 0.52 C ATOM 820 C ALA A 53 -6.609 13.719 -2.620 1.00 0.41 C ATOM 821 O ALA A 53 -6.663 13.509 -1.408 1.00 0.44 O ATOM 822 CB ALA A 53 -7.282 16.065 -3.199 1.00 0.73 C ATOM 0 H ALA A 53 -9.187 15.043 -1.923 1.00 0.48 H new ATOM 0 HA ALA A 53 -7.730 14.319 -4.339 1.00 0.52 H new ATOM 0 HB1 ALA A 53 -6.312 16.217 -3.673 1.00 0.73 H new ATOM 0 HB2 ALA A 53 -8.034 16.668 -3.709 1.00 0.73 H new ATOM 0 HB3 ALA A 53 -7.225 16.365 -2.153 1.00 0.73 H new ATOM 828 N PRO A 54 -5.654 13.188 -3.418 1.00 0.39 N ATOM 829 CA PRO A 54 -4.595 12.275 -2.963 1.00 0.32 C ATOM 830 C PRO A 54 -4.111 12.535 -1.536 1.00 0.29 C ATOM 831 O PRO A 54 -3.606 13.615 -1.218 1.00 0.36 O ATOM 832 CB PRO A 54 -3.484 12.550 -3.968 1.00 0.39 C ATOM 833 CG PRO A 54 -4.204 12.831 -5.243 1.00 0.52 C ATOM 834 CD PRO A 54 -5.531 13.452 -4.866 1.00 0.52 C ATOM 0 HA PRO A 54 -4.941 11.242 -2.925 1.00 0.32 H new ATOM 0 HB2 PRO A 54 -2.871 13.398 -3.662 1.00 0.39 H new ATOM 0 HB3 PRO A 54 -2.817 11.694 -4.068 1.00 0.39 H new ATOM 0 HG2 PRO A 54 -3.626 13.507 -5.873 1.00 0.52 H new ATOM 0 HG3 PRO A 54 -4.354 11.914 -5.813 1.00 0.52 H new ATOM 0 HD2 PRO A 54 -5.546 14.521 -5.079 1.00 0.52 H new ATOM 0 HD3 PRO A 54 -6.353 13.004 -5.424 1.00 0.52 H new ATOM 842 N ARG A 55 -4.273 11.525 -0.686 1.00 0.26 N ATOM 843 CA ARG A 55 -3.924 11.632 0.726 1.00 0.31 C ATOM 844 C ARG A 55 -2.674 10.814 1.020 1.00 0.24 C ATOM 845 O ARG A 55 -2.565 9.674 0.584 1.00 0.20 O ATOM 846 CB ARG A 55 -5.065 11.101 1.598 1.00 0.42 C ATOM 847 CG ARG A 55 -6.431 11.696 1.290 1.00 1.13 C ATOM 848 CD ARG A 55 -6.564 13.123 1.795 1.00 1.35 C ATOM 849 NE ARG A 55 -7.917 13.638 1.593 1.00 2.05 N ATOM 850 CZ ARG A 55 -8.502 14.536 2.383 1.00 2.41 C ATOM 851 NH1 ARG A 55 -7.839 15.072 3.400 1.00 2.30 N ATOM 852 NH2 ARG A 55 -9.753 14.904 2.146 1.00 3.34 N ATOM 0 H ARG A 55 -4.648 10.615 -0.955 1.00 0.26 H new ATOM 0 HA ARG A 55 -3.744 12.683 0.952 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -5.120 10.019 1.480 1.00 0.42 H new ATOM 0 HB3 ARG A 55 -4.826 11.296 2.643 1.00 0.42 H new ATOM 0 HG2 ARG A 55 -6.599 11.677 0.213 1.00 1.13 H new ATOM 0 HG3 ARG A 55 -7.205 11.078 1.745 1.00 1.13 H new ATOM 0 HD2 ARG A 55 -6.314 13.160 2.855 1.00 1.35 H new ATOM 0 HD3 ARG A 55 -5.849 13.762 1.277 1.00 1.35 H new ATOM 0 HE ARG A 55 -8.447 13.287 0.795 1.00 2.05 H new ATOM 0 HH11 ARG A 55 -6.874 14.797 3.581 1.00 2.30 H new ATOM 0 HH12 ARG A 55 -8.295 15.759 4.000 1.00 2.30 H new ATOM 0 HH21 ARG A 55 -10.264 14.500 1.361 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -10.205 15.592 2.749 1.00 3.34 H new ATOM 866 N VAL A 56 -1.741 11.379 1.762 1.00 0.26 N ATOM 867 CA VAL A 56 -0.566 10.629 2.178 1.00 0.24 C ATOM 868 C VAL A 56 -0.867 9.865 3.469 1.00 0.22 C ATOM 869 O VAL A 56 -1.099 10.462 4.522 1.00 0.25 O ATOM 870 CB VAL A 56 0.672 11.545 2.354 1.00 0.29 C ATOM 871 CG1 VAL A 56 0.376 12.716 3.279 1.00 1.48 C ATOM 872 CG2 VAL A 56 1.862 10.743 2.861 1.00 1.32 C ATOM 0 H VAL A 56 -1.770 12.345 2.088 1.00 0.26 H new ATOM 0 HA VAL A 56 -0.324 9.916 1.390 1.00 0.24 H new ATOM 0 HB VAL A 56 0.922 11.956 1.376 1.00 0.29 H new ATOM 0 HG11 VAL A 56 1.267 13.336 3.378 1.00 1.48 H new ATOM 0 HG12 VAL A 56 -0.436 13.312 2.863 1.00 1.48 H new ATOM 0 HG13 VAL A 56 0.084 12.340 4.260 1.00 1.48 H new ATOM 0 HG21 VAL A 56 2.722 11.403 2.979 1.00 1.32 H new ATOM 0 HG22 VAL A 56 1.615 10.294 3.823 1.00 1.32 H new ATOM 0 HG23 VAL A 56 2.103 9.957 2.145 1.00 1.32 H new ATOM 882 N TYR A 57 -0.908 8.545 3.378 1.00 0.22 N ATOM 883 CA TYR A 57 -1.233 7.717 4.525 1.00 0.25 C ATOM 884 C TYR A 57 -0.002 6.995 5.047 1.00 0.25 C ATOM 885 O TYR A 57 0.849 6.554 4.271 1.00 0.27 O ATOM 886 CB TYR A 57 -2.307 6.691 4.159 1.00 0.27 C ATOM 887 CG TYR A 57 -3.684 7.275 3.924 1.00 0.31 C ATOM 888 CD1 TYR A 57 -4.136 8.367 4.653 1.00 0.44 C ATOM 889 CD2 TYR A 57 -4.540 6.713 2.986 1.00 0.40 C ATOM 890 CE1 TYR A 57 -5.402 8.884 4.451 1.00 0.49 C ATOM 891 CE2 TYR A 57 -5.804 7.226 2.777 1.00 0.47 C ATOM 892 CZ TYR A 57 -6.232 8.310 3.509 1.00 0.46 C ATOM 893 OH TYR A 57 -7.497 8.816 3.304 1.00 0.54 O ATOM 0 H TYR A 57 -0.720 8.025 2.521 1.00 0.22 H new ATOM 0 HA TYR A 57 -1.612 8.374 5.308 1.00 0.25 H new ATOM 0 HB2 TYR A 57 -1.993 6.161 3.259 1.00 0.27 H new ATOM 0 HB3 TYR A 57 -2.372 5.952 4.958 1.00 0.27 H new ATOM 0 HD1 TYR A 57 -3.488 8.819 5.389 1.00 0.44 H new ATOM 0 HD2 TYR A 57 -4.211 5.860 2.411 1.00 0.40 H new ATOM 0 HE1 TYR A 57 -5.740 9.733 5.027 1.00 0.49 H new ATOM 0 HE2 TYR A 57 -6.455 6.778 2.041 1.00 0.47 H new ATOM 0 HH TYR A 57 -7.948 8.297 2.606 1.00 0.54 H new ATOM 903 N ARG A 58 0.092 6.882 6.363 1.00 0.27 N ATOM 904 CA ARG A 58 1.178 6.152 6.989 1.00 0.31 C ATOM 905 C ARG A 58 0.759 4.701 7.184 1.00 0.27 C ATOM 906 O ARG A 58 -0.160 4.409 7.949 1.00 0.31 O ATOM 907 CB ARG A 58 1.555 6.798 8.330 1.00 0.42 C ATOM 908 CG ARG A 58 2.911 6.365 8.886 1.00 0.55 C ATOM 909 CD ARG A 58 2.860 4.980 9.517 1.00 1.11 C ATOM 910 NE ARG A 58 1.992 4.942 10.695 1.00 1.70 N ATOM 911 CZ ARG A 58 2.119 4.071 11.696 1.00 2.56 C ATOM 912 NH1 ARG A 58 3.105 3.184 11.697 1.00 3.09 N ATOM 913 NH2 ARG A 58 1.266 4.108 12.712 1.00 3.26 N ATOM 0 H ARG A 58 -0.575 7.289 7.019 1.00 0.27 H new ATOM 0 HA ARG A 58 2.057 6.185 6.345 1.00 0.31 H new ATOM 0 HB2 ARG A 58 1.556 7.881 8.209 1.00 0.42 H new ATOM 0 HB3 ARG A 58 0.784 6.560 9.063 1.00 0.42 H new ATOM 0 HG2 ARG A 58 3.649 6.370 8.084 1.00 0.55 H new ATOM 0 HG3 ARG A 58 3.244 7.089 9.630 1.00 0.55 H new ATOM 0 HD2 ARG A 58 2.503 4.260 8.781 1.00 1.11 H new ATOM 0 HD3 ARG A 58 3.867 4.674 9.800 1.00 1.11 H new ATOM 0 HE ARG A 58 1.239 5.628 10.754 1.00 1.70 H new ATOM 0 HH11 ARG A 58 3.774 3.164 10.927 1.00 3.09 H new ATOM 0 HH12 ARG A 58 3.194 2.521 12.467 1.00 3.09 H new ATOM 0 HH21 ARG A 58 0.517 4.801 12.724 1.00 3.26 H new ATOM 0 HH22 ARG A 58 1.359 3.444 13.480 1.00 3.26 H new ATOM 927 N VAL A 59 1.426 3.809 6.478 1.00 0.25 N ATOM 928 CA VAL A 59 1.129 2.390 6.546 1.00 0.25 C ATOM 929 C VAL A 59 1.559 1.803 7.878 1.00 0.25 C ATOM 930 O VAL A 59 2.757 1.751 8.192 1.00 0.26 O ATOM 931 CB VAL A 59 1.822 1.609 5.412 1.00 0.31 C ATOM 932 CG1 VAL A 59 1.593 0.114 5.559 1.00 0.45 C ATOM 933 CG2 VAL A 59 1.329 2.081 4.063 1.00 0.36 C ATOM 0 H VAL A 59 2.188 4.046 5.842 1.00 0.25 H new ATOM 0 HA VAL A 59 0.049 2.293 6.436 1.00 0.25 H new ATOM 0 HB VAL A 59 2.893 1.800 5.481 1.00 0.31 H new ATOM 0 HG11 VAL A 59 2.093 -0.412 4.746 1.00 0.45 H new ATOM 0 HG12 VAL A 59 1.998 -0.224 6.513 1.00 0.45 H new ATOM 0 HG13 VAL A 59 0.524 -0.096 5.524 1.00 0.45 H new ATOM 0 HG21 VAL A 59 1.830 1.518 3.275 1.00 0.36 H new ATOM 0 HG22 VAL A 59 0.253 1.924 3.994 1.00 0.36 H new ATOM 0 HG23 VAL A 59 1.549 3.142 3.946 1.00 0.36 H new ATOM 943 N ASN A 60 0.565 1.380 8.651 1.00 0.28 N ATOM 944 CA ASN A 60 0.787 0.668 9.900 1.00 0.32 C ATOM 945 C ASN A 60 1.143 -0.774 9.578 1.00 0.32 C ATOM 946 O ASN A 60 1.853 -1.446 10.324 1.00 0.37 O ATOM 947 CB ASN A 60 -0.483 0.715 10.757 1.00 0.41 C ATOM 948 CG ASN A 60 -0.276 0.176 12.161 1.00 1.12 C ATOM 949 OD1 ASN A 60 -0.377 -1.027 12.407 1.00 1.92 O ATOM 950 ND2 ASN A 60 -0.018 1.074 13.096 1.00 1.68 N ATOM 0 H ASN A 60 -0.420 1.523 8.427 1.00 0.28 H new ATOM 0 HA ASN A 60 1.600 1.135 10.457 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.835 1.745 10.818 1.00 0.41 H new ATOM 0 HB3 ASN A 60 -1.267 0.139 10.265 1.00 0.41 H new ATOM 0 HD21 ASN A 60 0.106 0.780 14.065 1.00 1.68 H new ATOM 0 HD22 ASN A 60 0.057 2.061 12.849 1.00 1.68 H new ATOM 957 N GLY A 61 0.636 -1.233 8.443 1.00 0.40 N ATOM 958 CA GLY A 61 0.929 -2.562 7.968 1.00 0.47 C ATOM 959 C GLY A 61 -0.147 -3.063 7.035 1.00 0.43 C ATOM 960 O GLY A 61 -0.731 -2.280 6.283 1.00 0.43 O ATOM 0 H GLY A 61 0.017 -0.695 7.836 1.00 0.40 H new ATOM 0 HA2 GLY A 61 1.889 -2.562 7.452 1.00 0.47 H new ATOM 0 HA3 GLY A 61 1.023 -3.241 8.816 1.00 0.47 H new ATOM 964 N LEU A 62 -0.426 -4.356 7.082 1.00 0.41 N ATOM 965 CA LEU A 62 -1.442 -4.953 6.231 1.00 0.38 C ATOM 966 C LEU A 62 -2.378 -5.814 7.069 1.00 0.38 C ATOM 967 O LEU A 62 -2.013 -6.264 8.159 1.00 0.42 O ATOM 968 CB LEU A 62 -0.786 -5.811 5.142 1.00 0.39 C ATOM 969 CG LEU A 62 0.144 -5.062 4.184 1.00 0.45 C ATOM 970 CD1 LEU A 62 0.788 -6.024 3.210 1.00 0.43 C ATOM 971 CD2 LEU A 62 -0.616 -3.989 3.429 1.00 0.55 C ATOM 0 H LEU A 62 0.041 -5.015 7.705 1.00 0.41 H new ATOM 0 HA LEU A 62 -2.014 -4.156 5.756 1.00 0.38 H new ATOM 0 HB2 LEU A 62 -0.218 -6.607 5.624 1.00 0.39 H new ATOM 0 HB3 LEU A 62 -1.572 -6.289 4.558 1.00 0.39 H new ATOM 0 HG LEU A 62 0.926 -4.584 4.775 1.00 0.45 H new ATOM 0 HD11 LEU A 62 1.446 -5.474 2.537 1.00 0.43 H new ATOM 0 HD12 LEU A 62 1.369 -6.764 3.760 1.00 0.43 H new ATOM 0 HD13 LEU A 62 0.014 -6.527 2.630 1.00 0.43 H new ATOM 0 HD21 LEU A 62 0.063 -3.469 2.754 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -1.419 -4.449 2.853 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -1.040 -3.277 4.137 1.00 0.55 H new ATOM 983 N SER A 63 -3.589 -6.006 6.582 1.00 0.36 N ATOM 984 CA SER A 63 -4.540 -6.877 7.242 1.00 0.40 C ATOM 985 C SER A 63 -4.433 -8.280 6.663 1.00 0.46 C ATOM 986 O SER A 63 -4.490 -8.466 5.448 1.00 0.62 O ATOM 987 CB SER A 63 -5.963 -6.341 7.087 1.00 0.44 C ATOM 988 OG SER A 63 -6.847 -7.007 7.970 1.00 1.45 O ATOM 0 H SER A 63 -3.937 -5.569 5.729 1.00 0.36 H new ATOM 0 HA SER A 63 -4.308 -6.911 8.307 1.00 0.40 H new ATOM 0 HB2 SER A 63 -5.978 -5.270 7.289 1.00 0.44 H new ATOM 0 HB3 SER A 63 -6.298 -6.476 6.059 1.00 0.44 H new ATOM 0 HG SER A 63 -7.578 -7.411 7.458 1.00 1.45 H new ATOM 994 N ARG A 64 -4.241 -9.250 7.549 1.00 0.73 N ATOM 995 CA ARG A 64 -4.087 -10.659 7.177 1.00 0.94 C ATOM 996 C ARG A 64 -5.258 -11.207 6.347 1.00 0.65 C ATOM 997 O ARG A 64 -5.170 -12.310 5.805 1.00 0.72 O ATOM 998 CB ARG A 64 -3.905 -11.496 8.441 1.00 1.40 C ATOM 999 CG ARG A 64 -5.122 -11.503 9.354 1.00 2.25 C ATOM 1000 CD ARG A 64 -4.766 -11.980 10.752 1.00 2.62 C ATOM 1001 NE ARG A 64 -4.065 -13.263 10.741 1.00 3.28 N ATOM 1002 CZ ARG A 64 -3.132 -13.609 11.629 1.00 3.81 C ATOM 1003 NH1 ARG A 64 -2.792 -12.775 12.604 1.00 3.76 N ATOM 1004 NH2 ARG A 64 -2.539 -14.790 11.538 1.00 4.70 N ATOM 0 H ARG A 64 -4.187 -9.084 8.554 1.00 0.73 H new ATOM 0 HA ARG A 64 -3.206 -10.726 6.539 1.00 0.94 H new ATOM 0 HB2 ARG A 64 -3.671 -12.522 8.156 1.00 1.40 H new ATOM 0 HB3 ARG A 64 -3.048 -11.116 8.997 1.00 1.40 H new ATOM 0 HG2 ARG A 64 -5.544 -10.499 9.407 1.00 2.25 H new ATOM 0 HG3 ARG A 64 -5.891 -12.150 8.932 1.00 2.25 H new ATOM 0 HD2 ARG A 64 -4.141 -11.232 11.240 1.00 2.62 H new ATOM 0 HD3 ARG A 64 -5.676 -12.071 11.345 1.00 2.62 H new ATOM 0 HE ARG A 64 -4.304 -13.934 10.010 1.00 3.28 H new ATOM 0 HH11 ARG A 64 -3.245 -11.864 12.677 1.00 3.76 H new ATOM 0 HH12 ARG A 64 -2.078 -13.045 13.280 1.00 3.76 H new ATOM 0 HH21 ARG A 64 -2.796 -15.433 10.789 1.00 4.70 H new ATOM 0 HH22 ARG A 64 -1.825 -15.056 12.216 1.00 4.70 H new ATOM 1018 N ALA A 65 -6.348 -10.460 6.260 1.00 0.45 N ATOM 1019 CA ALA A 65 -7.484 -10.875 5.453 1.00 0.32 C ATOM 1020 C ALA A 65 -7.546 -10.075 4.155 1.00 0.30 C ATOM 1021 O ALA A 65 -7.476 -8.844 4.168 1.00 0.33 O ATOM 1022 CB ALA A 65 -8.775 -10.717 6.235 1.00 0.47 C ATOM 0 H ALA A 65 -6.469 -9.566 6.737 1.00 0.45 H new ATOM 0 HA ALA A 65 -7.357 -11.928 5.200 1.00 0.32 H new ATOM 0 HB1 ALA A 65 -9.616 -11.032 5.617 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -8.734 -11.333 7.133 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -8.904 -9.672 6.518 1.00 0.47 H new ATOM 1028 N PRO A 66 -7.655 -10.778 3.015 1.00 0.27 N ATOM 1029 CA PRO A 66 -7.778 -10.153 1.691 1.00 0.29 C ATOM 1030 C PRO A 66 -9.022 -9.275 1.583 1.00 0.27 C ATOM 1031 O PRO A 66 -10.059 -9.563 2.186 1.00 0.26 O ATOM 1032 CB PRO A 66 -7.893 -11.347 0.736 1.00 0.32 C ATOM 1033 CG PRO A 66 -7.320 -12.499 1.484 1.00 0.30 C ATOM 1034 CD PRO A 66 -7.650 -12.248 2.926 1.00 0.27 C ATOM 0 HA PRO A 66 -6.936 -9.496 1.474 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -8.931 -11.533 0.461 1.00 0.32 H new ATOM 0 HB3 PRO A 66 -7.345 -11.166 -0.189 1.00 0.32 H new ATOM 0 HG2 PRO A 66 -7.749 -13.441 1.142 1.00 0.30 H new ATOM 0 HG3 PRO A 66 -6.242 -12.567 1.334 1.00 0.30 H new ATOM 0 HD2 PRO A 66 -8.617 -12.672 3.198 1.00 0.27 H new ATOM 0 HD3 PRO A 66 -6.909 -12.690 3.592 1.00 0.27 H new ATOM 1042 N ALA A 67 -8.906 -8.215 0.785 1.00 0.29 N ATOM 1043 CA ALA A 67 -9.954 -7.201 0.653 1.00 0.28 C ATOM 1044 C ALA A 67 -11.276 -7.787 0.163 1.00 0.26 C ATOM 1045 O ALA A 67 -12.338 -7.187 0.343 1.00 0.27 O ATOM 1046 CB ALA A 67 -9.488 -6.099 -0.288 1.00 0.35 C ATOM 0 H ALA A 67 -8.083 -8.034 0.211 1.00 0.29 H new ATOM 0 HA ALA A 67 -10.136 -6.789 1.646 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -10.271 -5.347 -0.383 1.00 0.35 H new ATOM 0 HB2 ALA A 67 -8.586 -5.636 0.113 1.00 0.35 H new ATOM 0 HB3 ALA A 67 -9.273 -6.524 -1.268 1.00 0.35 H new ATOM 1052 N SER A 68 -11.203 -8.953 -0.455 1.00 0.30 N ATOM 1053 CA SER A 68 -12.381 -9.626 -0.972 1.00 0.35 C ATOM 1054 C SER A 68 -13.236 -10.211 0.153 1.00 0.31 C ATOM 1055 O SER A 68 -14.433 -10.445 -0.023 1.00 0.40 O ATOM 1056 CB SER A 68 -11.949 -10.725 -1.939 1.00 0.48 C ATOM 1057 OG SER A 68 -10.931 -11.529 -1.366 1.00 1.42 O ATOM 0 H SER A 68 -10.330 -9.457 -0.612 1.00 0.30 H new ATOM 0 HA SER A 68 -12.994 -8.894 -1.497 1.00 0.35 H new ATOM 0 HB2 SER A 68 -12.807 -11.346 -2.197 1.00 0.48 H new ATOM 0 HB3 SER A 68 -11.588 -10.279 -2.866 1.00 0.48 H new ATOM 0 HG SER A 68 -10.891 -12.389 -1.834 1.00 1.42 H new ATOM 1063 N SER A 69 -12.628 -10.440 1.312 1.00 0.28 N ATOM 1064 CA SER A 69 -13.332 -11.081 2.411 1.00 0.37 C ATOM 1065 C SER A 69 -13.255 -10.251 3.694 1.00 0.33 C ATOM 1066 O SER A 69 -13.892 -10.580 4.697 1.00 0.42 O ATOM 1067 CB SER A 69 -12.759 -12.483 2.645 1.00 0.50 C ATOM 1068 OG SER A 69 -13.613 -13.258 3.466 1.00 1.46 O ATOM 0 H SER A 69 -11.659 -10.193 1.512 1.00 0.28 H new ATOM 0 HA SER A 69 -14.384 -11.160 2.138 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.618 -12.985 1.688 1.00 0.50 H new ATOM 0 HB3 SER A 69 -11.777 -12.404 3.111 1.00 0.50 H new ATOM 0 HG SER A 69 -14.047 -12.678 4.126 1.00 1.46 H new ATOM 1074 N GLU A 70 -12.479 -9.178 3.665 1.00 0.28 N ATOM 1075 CA GLU A 70 -12.324 -8.327 4.837 1.00 0.35 C ATOM 1076 C GLU A 70 -13.538 -7.418 4.997 1.00 0.37 C ATOM 1077 O GLU A 70 -13.951 -6.747 4.048 1.00 0.37 O ATOM 1078 CB GLU A 70 -11.054 -7.487 4.721 1.00 0.42 C ATOM 1079 CG GLU A 70 -10.755 -6.648 5.956 1.00 0.78 C ATOM 1080 CD GLU A 70 -10.425 -7.487 7.175 1.00 0.58 C ATOM 1081 OE1 GLU A 70 -9.234 -7.807 7.380 1.00 1.03 O ATOM 1082 OE2 GLU A 70 -11.353 -7.835 7.932 1.00 1.26 O ATOM 0 H GLU A 70 -11.949 -8.876 2.848 1.00 0.28 H new ATOM 0 HA GLU A 70 -12.244 -8.965 5.717 1.00 0.35 H new ATOM 0 HB2 GLU A 70 -10.209 -8.148 4.530 1.00 0.42 H new ATOM 0 HB3 GLU A 70 -11.144 -6.827 3.858 1.00 0.42 H new ATOM 0 HG2 GLU A 70 -9.919 -5.982 5.743 1.00 0.78 H new ATOM 0 HG3 GLU A 70 -11.616 -6.018 6.178 1.00 0.78 H new ATOM 1089 N THR A 71 -14.109 -7.414 6.192 1.00 0.44 N ATOM 1090 CA THR A 71 -15.264 -6.588 6.486 1.00 0.48 C ATOM 1091 C THR A 71 -14.881 -5.416 7.385 1.00 0.58 C ATOM 1092 O THR A 71 -13.991 -5.526 8.228 1.00 0.85 O ATOM 1093 CB THR A 71 -16.396 -7.403 7.151 1.00 0.61 C ATOM 1094 OG1 THR A 71 -15.917 -8.064 8.331 1.00 0.76 O ATOM 1095 CG2 THR A 71 -16.964 -8.435 6.187 1.00 0.62 C ATOM 0 H THR A 71 -13.786 -7.979 6.977 1.00 0.44 H new ATOM 0 HA THR A 71 -15.631 -6.205 5.534 1.00 0.48 H new ATOM 0 HB THR A 71 -17.187 -6.705 7.426 1.00 0.61 H new ATOM 0 HG1 THR A 71 -16.647 -8.574 8.740 1.00 0.76 H new ATOM 0 HG21 THR A 71 -17.759 -8.995 6.680 1.00 0.62 H new ATOM 0 HG22 THR A 71 -17.367 -7.930 5.309 1.00 0.62 H new ATOM 0 HG23 THR A 71 -16.174 -9.120 5.881 1.00 0.62 H new ATOM 1103 N PHE A 72 -15.561 -4.302 7.192 1.00 0.51 N ATOM 1104 CA PHE A 72 -15.323 -3.101 7.975 1.00 0.59 C ATOM 1105 C PHE A 72 -16.619 -2.312 8.062 1.00 0.68 C ATOM 1106 O PHE A 72 -17.526 -2.525 7.254 1.00 0.64 O ATOM 1107 CB PHE A 72 -14.205 -2.251 7.354 1.00 0.58 C ATOM 1108 CG PHE A 72 -14.586 -1.570 6.073 1.00 0.54 C ATOM 1109 CD1 PHE A 72 -14.623 -2.282 4.884 1.00 0.43 C ATOM 1110 CD2 PHE A 72 -14.911 -0.225 6.055 1.00 0.68 C ATOM 1111 CE1 PHE A 72 -14.974 -1.664 3.702 1.00 0.43 C ATOM 1112 CE2 PHE A 72 -15.262 0.399 4.875 1.00 0.67 C ATOM 1113 CZ PHE A 72 -15.289 -0.300 3.708 1.00 0.52 C ATOM 0 H PHE A 72 -16.294 -4.202 6.489 1.00 0.51 H new ATOM 0 HA PHE A 72 -14.997 -3.380 8.977 1.00 0.59 H new ATOM 0 HB2 PHE A 72 -13.896 -1.495 8.076 1.00 0.58 H new ATOM 0 HB3 PHE A 72 -13.340 -2.888 7.170 1.00 0.58 H new ATOM 0 HD1 PHE A 72 -14.374 -3.333 4.883 1.00 0.43 H new ATOM 0 HD2 PHE A 72 -14.890 0.342 6.974 1.00 0.68 H new ATOM 0 HE1 PHE A 72 -15.006 -2.227 2.781 1.00 0.43 H new ATOM 0 HE2 PHE A 72 -15.517 1.449 4.878 1.00 0.67 H new ATOM 0 HZ PHE A 72 -15.553 0.197 2.787 1.00 0.52 H new ATOM 1123 N GLU A 73 -16.715 -1.417 9.029 1.00 0.83 N ATOM 1124 CA GLU A 73 -17.943 -0.671 9.237 1.00 0.94 C ATOM 1125 C GLU A 73 -17.945 0.611 8.409 1.00 0.99 C ATOM 1126 O GLU A 73 -17.094 1.487 8.578 1.00 1.09 O ATOM 1127 CB GLU A 73 -18.136 -0.367 10.723 1.00 1.14 C ATOM 1128 CG GLU A 73 -19.537 0.111 11.071 1.00 1.27 C ATOM 1129 CD GLU A 73 -19.593 1.587 11.387 1.00 1.68 C ATOM 1130 OE1 GLU A 73 -19.369 1.957 12.558 1.00 1.96 O ATOM 1131 OE2 GLU A 73 -19.856 2.385 10.462 1.00 2.03 O ATOM 0 H GLU A 73 -15.962 -1.190 9.679 1.00 0.83 H new ATOM 0 HA GLU A 73 -18.781 -1.283 8.903 1.00 0.94 H new ATOM 0 HB2 GLU A 73 -17.914 -1.264 11.300 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -17.416 0.393 11.026 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -20.206 -0.103 10.237 1.00 1.27 H new ATOM 0 HG3 GLU A 73 -19.906 -0.453 11.928 1.00 1.27 H new ATOM 1138 N HIS A 74 -18.902 0.685 7.503 1.00 0.97 N ATOM 1139 CA HIS A 74 -19.082 1.824 6.620 1.00 1.06 C ATOM 1140 C HIS A 74 -20.534 2.283 6.693 1.00 1.17 C ATOM 1141 O HIS A 74 -21.431 1.591 6.209 1.00 1.05 O ATOM 1142 CB HIS A 74 -18.711 1.425 5.184 1.00 1.04 C ATOM 1143 CG HIS A 74 -18.861 2.520 4.167 1.00 1.19 C ATOM 1144 ND1 HIS A 74 -19.269 2.250 2.882 1.00 1.99 N ATOM 1145 CD2 HIS A 74 -18.625 3.849 4.284 1.00 1.14 C ATOM 1146 CE1 HIS A 74 -19.271 3.412 2.251 1.00 1.92 C ATOM 1147 NE2 HIS A 74 -18.888 4.406 3.060 1.00 1.28 N ATOM 0 H HIS A 74 -19.587 -0.056 7.357 1.00 0.97 H new ATOM 0 HA HIS A 74 -18.434 2.644 6.928 1.00 1.06 H new ATOM 0 HB2 HIS A 74 -17.678 1.078 5.174 1.00 1.04 H new ATOM 0 HB3 HIS A 74 -19.333 0.582 4.884 1.00 1.04 H new ATOM 0 HD2 HIS A 74 -18.294 4.369 5.171 1.00 1.14 H new ATOM 0 HE1 HIS A 74 -19.547 3.542 1.215 1.00 1.92 H new ATOM 0 HE2 HIS A 74 -18.807 5.392 2.813 1.00 1.28 H new ATOM 1155 N ASP A 75 -20.760 3.420 7.349 1.00 1.43 N ATOM 1156 CA ASP A 75 -22.100 3.991 7.496 1.00 1.59 C ATOM 1157 C ASP A 75 -22.999 3.079 8.324 1.00 1.49 C ATOM 1158 O ASP A 75 -24.200 2.976 8.074 1.00 1.50 O ATOM 1159 CB ASP A 75 -22.746 4.276 6.131 1.00 1.65 C ATOM 1160 CG ASP A 75 -22.248 5.564 5.504 1.00 2.03 C ATOM 1161 OD1 ASP A 75 -22.119 6.571 6.231 1.00 2.67 O ATOM 1162 OD2 ASP A 75 -22.018 5.589 4.277 1.00 2.27 O ATOM 0 H ASP A 75 -20.024 3.970 7.792 1.00 1.43 H new ATOM 0 HA ASP A 75 -21.988 4.939 8.022 1.00 1.59 H new ATOM 0 HB2 ASP A 75 -22.540 3.445 5.456 1.00 1.65 H new ATOM 0 HB3 ASP A 75 -23.828 4.330 6.250 1.00 1.65 H new ATOM 1167 N GLY A 76 -22.408 2.416 9.313 1.00 1.43 N ATOM 1168 CA GLY A 76 -23.173 1.555 10.195 1.00 1.41 C ATOM 1169 C GLY A 76 -23.359 0.159 9.633 1.00 1.19 C ATOM 1170 O GLY A 76 -24.054 -0.667 10.219 1.00 1.18 O ATOM 0 H GLY A 76 -21.410 2.460 9.519 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -22.669 1.490 11.159 1.00 1.41 H new ATOM 0 HA3 GLY A 76 -24.150 2.003 10.376 1.00 1.41 H new ATOM 1174 N LYS A 77 -22.745 -0.104 8.494 1.00 1.06 N ATOM 1175 CA LYS A 77 -22.855 -1.406 7.851 1.00 0.89 C ATOM 1176 C LYS A 77 -21.484 -2.036 7.720 1.00 0.77 C ATOM 1177 O LYS A 77 -20.518 -1.349 7.412 1.00 0.74 O ATOM 1178 CB LYS A 77 -23.450 -1.262 6.453 1.00 0.87 C ATOM 1179 CG LYS A 77 -24.737 -0.457 6.391 1.00 1.06 C ATOM 1180 CD LYS A 77 -25.908 -1.211 6.996 1.00 1.13 C ATOM 1181 CE LYS A 77 -27.193 -0.405 6.893 1.00 1.40 C ATOM 1182 NZ LYS A 77 -27.497 -0.010 5.490 1.00 2.19 N ATOM 0 H LYS A 77 -22.163 0.567 7.992 1.00 1.06 H new ATOM 0 HA LYS A 77 -23.502 -2.033 8.465 1.00 0.89 H new ATOM 0 HB2 LYS A 77 -22.711 -0.791 5.805 1.00 0.87 H new ATOM 0 HB3 LYS A 77 -23.640 -2.257 6.049 1.00 0.87 H new ATOM 0 HG2 LYS A 77 -24.601 0.486 6.920 1.00 1.06 H new ATOM 0 HG3 LYS A 77 -24.961 -0.211 5.353 1.00 1.06 H new ATOM 0 HD2 LYS A 77 -26.032 -2.166 6.485 1.00 1.13 H new ATOM 0 HD3 LYS A 77 -25.699 -1.435 8.042 1.00 1.13 H new ATOM 0 HE2 LYS A 77 -28.021 -0.992 7.291 1.00 1.40 H new ATOM 0 HE3 LYS A 77 -27.110 0.489 7.511 1.00 1.40 H new ATOM 0 HZ1 LYS A 77 -28.495 0.275 5.418 1.00 2.19 H new ATOM 0 HZ2 LYS A 77 -26.888 0.787 5.214 1.00 2.19 H new ATOM 0 HZ3 LYS A 77 -27.321 -0.816 4.857 1.00 2.19 H new ATOM 1196 N LYS A 78 -21.387 -3.329 7.948 1.00 0.76 N ATOM 1197 CA LYS A 78 -20.139 -4.021 7.691 1.00 0.71 C ATOM 1198 C LYS A 78 -20.169 -4.634 6.306 1.00 0.61 C ATOM 1199 O LYS A 78 -20.963 -5.530 6.030 1.00 0.70 O ATOM 1200 CB LYS A 78 -19.859 -5.088 8.743 1.00 0.88 C ATOM 1201 CG LYS A 78 -19.608 -4.504 10.121 1.00 1.05 C ATOM 1202 CD LYS A 78 -19.168 -5.567 11.115 1.00 1.31 C ATOM 1203 CE LYS A 78 -17.844 -6.195 10.705 1.00 1.47 C ATOM 1204 NZ LYS A 78 -17.336 -7.151 11.722 1.00 1.55 N ATOM 0 H LYS A 78 -22.142 -3.915 8.304 1.00 0.76 H new ATOM 0 HA LYS A 78 -19.330 -3.293 7.745 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -20.705 -5.774 8.793 1.00 0.88 H new ATOM 0 HB3 LYS A 78 -18.992 -5.674 8.438 1.00 0.88 H new ATOM 0 HG2 LYS A 78 -18.843 -3.731 10.054 1.00 1.05 H new ATOM 0 HG3 LYS A 78 -20.517 -4.023 10.482 1.00 1.05 H new ATOM 0 HD2 LYS A 78 -19.071 -5.123 12.106 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -19.933 -6.340 11.186 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -17.969 -6.712 9.754 1.00 1.47 H new ATOM 0 HE3 LYS A 78 -17.105 -5.409 10.547 1.00 1.47 H new ATOM 0 HZ1 LYS A 78 -16.433 -7.553 11.400 1.00 1.55 H new ATOM 0 HZ2 LYS A 78 -17.191 -6.654 12.624 1.00 1.55 H new ATOM 0 HZ3 LYS A 78 -18.028 -7.916 11.855 1.00 1.55 H new ATOM 1218 N VAL A 79 -19.298 -4.146 5.446 1.00 0.51 N ATOM 1219 CA VAL A 79 -19.258 -4.578 4.063 1.00 0.42 C ATOM 1220 C VAL A 79 -17.873 -5.120 3.754 1.00 0.37 C ATOM 1221 O VAL A 79 -16.988 -5.080 4.612 1.00 0.38 O ATOM 1222 CB VAL A 79 -19.583 -3.414 3.096 1.00 0.35 C ATOM 1223 CG1 VAL A 79 -20.987 -2.881 3.340 1.00 0.41 C ATOM 1224 CG2 VAL A 79 -18.560 -2.295 3.232 1.00 0.34 C ATOM 0 H VAL A 79 -18.600 -3.441 5.685 1.00 0.51 H new ATOM 0 HA VAL A 79 -20.012 -5.353 3.922 1.00 0.42 H new ATOM 0 HB VAL A 79 -19.536 -3.802 2.078 1.00 0.35 H new ATOM 0 HG11 VAL A 79 -21.191 -2.064 2.648 1.00 0.41 H new ATOM 0 HG12 VAL A 79 -21.712 -3.680 3.182 1.00 0.41 H new ATOM 0 HG13 VAL A 79 -21.065 -2.517 4.364 1.00 0.41 H new ATOM 0 HG21 VAL A 79 -18.809 -1.488 2.543 1.00 0.34 H new ATOM 0 HG22 VAL A 79 -18.570 -1.915 4.254 1.00 0.34 H new ATOM 0 HG23 VAL A 79 -17.567 -2.679 2.997 1.00 0.34 H new ATOM 1234 N THR A 80 -17.678 -5.614 2.546 1.00 0.34 N ATOM 1235 CA THR A 80 -16.379 -6.103 2.133 1.00 0.30 C ATOM 1236 C THR A 80 -15.753 -5.094 1.182 1.00 0.23 C ATOM 1237 O THR A 80 -16.439 -4.505 0.350 1.00 0.21 O ATOM 1238 CB THR A 80 -16.500 -7.473 1.436 1.00 0.34 C ATOM 1239 OG1 THR A 80 -17.534 -7.426 0.440 1.00 0.67 O ATOM 1240 CG2 THR A 80 -16.807 -8.571 2.445 1.00 0.65 C ATOM 0 H THR A 80 -18.404 -5.687 1.834 1.00 0.34 H new ATOM 0 HA THR A 80 -15.751 -6.228 3.015 1.00 0.30 H new ATOM 0 HB THR A 80 -15.546 -7.699 0.959 1.00 0.34 H new ATOM 0 HG1 THR A 80 -17.604 -8.299 0.000 1.00 0.67 H new ATOM 0 HG21 THR A 80 -16.888 -9.528 1.929 1.00 0.65 H new ATOM 0 HG22 THR A 80 -16.005 -8.623 3.182 1.00 0.65 H new ATOM 0 HG23 THR A 80 -17.748 -8.350 2.948 1.00 0.65 H new ATOM 1248 N ILE A 81 -14.443 -4.918 1.306 1.00 0.24 N ATOM 1249 CA ILE A 81 -13.720 -3.884 0.573 1.00 0.23 C ATOM 1250 C ILE A 81 -13.822 -4.085 -0.942 1.00 0.20 C ATOM 1251 O ILE A 81 -13.812 -3.118 -1.705 1.00 0.22 O ATOM 1252 CB ILE A 81 -12.238 -3.844 1.012 1.00 0.28 C ATOM 1253 CG1 ILE A 81 -12.136 -3.440 2.484 1.00 0.37 C ATOM 1254 CG2 ILE A 81 -11.427 -2.892 0.149 1.00 0.32 C ATOM 1255 CD1 ILE A 81 -10.734 -3.526 3.044 1.00 0.71 C ATOM 0 H ILE A 81 -13.853 -5.485 1.915 1.00 0.24 H new ATOM 0 HA ILE A 81 -14.186 -2.928 0.811 1.00 0.23 H new ATOM 0 HB ILE A 81 -11.824 -4.844 0.884 1.00 0.28 H new ATOM 0 HG12 ILE A 81 -12.501 -2.419 2.597 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -12.793 -4.080 3.073 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -10.390 -2.889 0.486 1.00 0.32 H new ATOM 0 HG22 ILE A 81 -11.470 -3.217 -0.891 1.00 0.32 H new ATOM 0 HG23 ILE A 81 -11.838 -1.886 0.232 1.00 0.32 H new ATOM 0 HD11 ILE A 81 -10.741 -3.224 4.091 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.373 -4.551 2.964 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -10.076 -2.864 2.481 1.00 0.71 H new ATOM 1267 N ALA A 82 -13.943 -5.336 -1.371 1.00 0.17 N ATOM 1268 CA ALA A 82 -14.061 -5.640 -2.793 1.00 0.17 C ATOM 1269 C ALA A 82 -15.346 -5.062 -3.385 1.00 0.18 C ATOM 1270 O ALA A 82 -15.310 -4.360 -4.395 1.00 0.21 O ATOM 1271 CB ALA A 82 -14.007 -7.143 -3.017 1.00 0.17 C ATOM 0 H ALA A 82 -13.962 -6.152 -0.759 1.00 0.17 H new ATOM 0 HA ALA A 82 -13.219 -5.173 -3.304 1.00 0.17 H new ATOM 0 HB1 ALA A 82 -14.096 -7.356 -4.082 1.00 0.17 H new ATOM 0 HB2 ALA A 82 -13.058 -7.532 -2.648 1.00 0.17 H new ATOM 0 HB3 ALA A 82 -14.828 -7.620 -2.482 1.00 0.17 H new ATOM 1277 N SER A 83 -16.474 -5.343 -2.745 1.00 0.18 N ATOM 1278 CA SER A 83 -17.765 -4.845 -3.208 1.00 0.20 C ATOM 1279 C SER A 83 -17.902 -3.356 -2.899 1.00 0.21 C ATOM 1280 O SER A 83 -18.573 -2.611 -3.618 1.00 0.25 O ATOM 1281 CB SER A 83 -18.885 -5.639 -2.540 1.00 0.23 C ATOM 1282 OG SER A 83 -18.633 -7.032 -2.638 1.00 1.11 O ATOM 0 H SER A 83 -16.522 -5.915 -1.902 1.00 0.18 H new ATOM 0 HA SER A 83 -17.834 -4.973 -4.288 1.00 0.20 H new ATOM 0 HB2 SER A 83 -18.968 -5.351 -1.492 1.00 0.23 H new ATOM 0 HB3 SER A 83 -19.838 -5.402 -3.012 1.00 0.23 H new ATOM 0 HG SER A 83 -18.281 -7.362 -1.785 1.00 1.11 H new ATOM 1288 N TYR A 84 -17.244 -2.944 -1.826 1.00 0.21 N ATOM 1289 CA TYR A 84 -17.227 -1.557 -1.386 1.00 0.24 C ATOM 1290 C TYR A 84 -16.612 -0.644 -2.448 1.00 0.25 C ATOM 1291 O TYR A 84 -17.190 0.384 -2.795 1.00 0.30 O ATOM 1292 CB TYR A 84 -16.466 -1.489 -0.056 1.00 0.25 C ATOM 1293 CG TYR A 84 -15.872 -0.152 0.305 1.00 0.28 C ATOM 1294 CD1 TYR A 84 -16.670 0.936 0.629 1.00 0.31 C ATOM 1295 CD2 TYR A 84 -14.496 0.000 0.360 1.00 0.31 C ATOM 1296 CE1 TYR A 84 -16.106 2.143 0.996 1.00 0.38 C ATOM 1297 CE2 TYR A 84 -13.924 1.198 0.720 1.00 0.37 C ATOM 1298 CZ TYR A 84 -14.731 2.270 1.040 1.00 0.39 C ATOM 1299 OH TYR A 84 -14.164 3.468 1.410 1.00 0.49 O ATOM 0 H TYR A 84 -16.701 -3.569 -1.230 1.00 0.21 H new ATOM 0 HA TYR A 84 -18.246 -1.199 -1.237 1.00 0.24 H new ATOM 0 HB2 TYR A 84 -17.145 -1.789 0.742 1.00 0.25 H new ATOM 0 HB3 TYR A 84 -15.662 -2.224 -0.084 1.00 0.25 H new ATOM 0 HD1 TYR A 84 -17.745 0.838 0.594 1.00 0.31 H new ATOM 0 HD2 TYR A 84 -13.860 -0.838 0.116 1.00 0.31 H new ATOM 0 HE1 TYR A 84 -16.737 2.983 1.247 1.00 0.38 H new ATOM 0 HE2 TYR A 84 -12.849 1.299 0.752 1.00 0.37 H new ATOM 0 HH TYR A 84 -13.187 3.388 1.390 1.00 0.49 H new ATOM 1309 N PHE A 85 -15.456 -1.026 -2.978 1.00 0.22 N ATOM 1310 CA PHE A 85 -14.834 -0.258 -4.051 1.00 0.23 C ATOM 1311 C PHE A 85 -15.559 -0.473 -5.371 1.00 0.25 C ATOM 1312 O PHE A 85 -15.696 0.454 -6.166 1.00 0.28 O ATOM 1313 CB PHE A 85 -13.357 -0.613 -4.205 1.00 0.22 C ATOM 1314 CG PHE A 85 -12.461 0.118 -3.251 1.00 0.25 C ATOM 1315 CD1 PHE A 85 -12.096 1.430 -3.499 1.00 0.48 C ATOM 1316 CD2 PHE A 85 -11.982 -0.502 -2.113 1.00 0.35 C ATOM 1317 CE1 PHE A 85 -11.269 2.109 -2.628 1.00 0.54 C ATOM 1318 CE2 PHE A 85 -11.155 0.174 -1.238 1.00 0.39 C ATOM 1319 CZ PHE A 85 -10.800 1.480 -1.497 1.00 0.39 C ATOM 0 H PHE A 85 -14.935 -1.853 -2.687 1.00 0.22 H new ATOM 0 HA PHE A 85 -14.909 0.795 -3.779 1.00 0.23 H new ATOM 0 HB2 PHE A 85 -13.233 -1.686 -4.058 1.00 0.22 H new ATOM 0 HB3 PHE A 85 -13.044 -0.393 -5.226 1.00 0.22 H new ATOM 0 HD1 PHE A 85 -12.463 1.928 -4.384 1.00 0.48 H new ATOM 0 HD2 PHE A 85 -12.257 -1.526 -1.906 1.00 0.35 H new ATOM 0 HE1 PHE A 85 -10.990 3.132 -2.833 1.00 0.54 H new ATOM 0 HE2 PHE A 85 -10.787 -0.320 -0.351 1.00 0.39 H new ATOM 0 HZ PHE A 85 -10.154 2.010 -0.813 1.00 0.39 H new ATOM 1329 N HIS A 86 -16.031 -1.692 -5.594 1.00 0.24 N ATOM 1330 CA HIS A 86 -16.714 -2.037 -6.839 1.00 0.29 C ATOM 1331 C HIS A 86 -17.935 -1.145 -7.051 1.00 0.31 C ATOM 1332 O HIS A 86 -18.170 -0.650 -8.154 1.00 0.36 O ATOM 1333 CB HIS A 86 -17.132 -3.509 -6.825 1.00 0.31 C ATOM 1334 CG HIS A 86 -17.615 -4.011 -8.151 1.00 0.61 C ATOM 1335 ND1 HIS A 86 -18.954 -4.107 -8.437 1.00 1.62 N ATOM 1336 CD2 HIS A 86 -16.901 -4.438 -9.219 1.00 0.88 C ATOM 1337 CE1 HIS A 86 -19.025 -4.591 -9.666 1.00 1.76 C ATOM 1338 NE2 HIS A 86 -17.806 -4.808 -10.178 1.00 1.19 N ATOM 0 H HIS A 86 -15.955 -2.462 -4.929 1.00 0.24 H new ATOM 0 HA HIS A 86 -16.022 -1.875 -7.665 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -16.285 -4.115 -6.504 1.00 0.31 H new ATOM 0 HB3 HIS A 86 -17.921 -3.646 -6.085 1.00 0.31 H new ATOM 0 HD2 HIS A 86 -15.825 -4.479 -9.299 1.00 0.88 H new ATOM 0 HE1 HIS A 86 -19.949 -4.787 -10.190 1.00 1.76 H new ATOM 0 HE2 HIS A 86 -17.593 -5.178 -11.104 1.00 1.19 H new ATOM 1346 N SER A 87 -18.697 -0.922 -5.987 1.00 0.33 N ATOM 1347 CA SER A 87 -19.886 -0.079 -6.059 1.00 0.37 C ATOM 1348 C SER A 87 -19.492 1.395 -6.081 1.00 0.36 C ATOM 1349 O SER A 87 -20.242 2.249 -6.553 1.00 0.44 O ATOM 1350 CB SER A 87 -20.794 -0.362 -4.862 1.00 0.44 C ATOM 1351 OG SER A 87 -20.959 -1.760 -4.673 1.00 1.34 O ATOM 0 H SER A 87 -18.513 -1.313 -5.063 1.00 0.33 H new ATOM 0 HA SER A 87 -20.425 -0.307 -6.979 1.00 0.37 H new ATOM 0 HB2 SER A 87 -20.367 0.083 -3.963 1.00 0.44 H new ATOM 0 HB3 SER A 87 -21.766 0.106 -5.019 1.00 0.44 H new ATOM 0 HG SER A 87 -20.168 -2.125 -4.223 1.00 1.34 H new ATOM 1357 N ARG A 88 -18.305 1.677 -5.566 1.00 0.32 N ATOM 1358 CA ARG A 88 -17.799 3.041 -5.498 1.00 0.36 C ATOM 1359 C ARG A 88 -17.029 3.406 -6.769 1.00 0.38 C ATOM 1360 O ARG A 88 -16.236 4.349 -6.776 1.00 0.47 O ATOM 1361 CB ARG A 88 -16.926 3.239 -4.259 1.00 0.44 C ATOM 1362 CG ARG A 88 -16.888 4.682 -3.787 1.00 0.83 C ATOM 1363 CD ARG A 88 -18.255 5.139 -3.301 1.00 1.10 C ATOM 1364 NE ARG A 88 -18.313 6.587 -3.110 1.00 1.79 N ATOM 1365 CZ ARG A 88 -19.026 7.188 -2.162 1.00 2.33 C ATOM 1366 NH1 ARG A 88 -19.760 6.473 -1.314 1.00 2.20 N ATOM 1367 NH2 ARG A 88 -19.014 8.513 -2.080 1.00 3.30 N ATOM 0 H ARG A 88 -17.670 0.975 -5.187 1.00 0.32 H new ATOM 0 HA ARG A 88 -18.655 3.711 -5.419 1.00 0.36 H new ATOM 0 HB2 ARG A 88 -17.300 2.608 -3.453 1.00 0.44 H new ATOM 0 HB3 ARG A 88 -15.911 2.907 -4.479 1.00 0.44 H new ATOM 0 HG2 ARG A 88 -16.160 4.785 -2.982 1.00 0.83 H new ATOM 0 HG3 ARG A 88 -16.555 5.325 -4.602 1.00 0.83 H new ATOM 0 HD2 ARG A 88 -19.015 4.838 -4.022 1.00 1.10 H new ATOM 0 HD3 ARG A 88 -18.491 4.640 -2.361 1.00 1.10 H new ATOM 0 HE ARG A 88 -17.772 7.174 -3.745 1.00 1.79 H new ATOM 0 HH11 ARG A 88 -19.779 5.456 -1.388 1.00 2.20 H new ATOM 0 HH12 ARG A 88 -20.304 6.942 -0.590 1.00 2.20 H new ATOM 0 HH21 ARG A 88 -18.461 9.060 -2.740 1.00 3.30 H new ATOM 0 HH22 ARG A 88 -19.557 8.984 -1.357 1.00 3.30 H new ATOM 1381 N ASN A 89 -17.235 2.616 -7.822 1.00 0.37 N ATOM 1382 CA ASN A 89 -16.667 2.888 -9.145 1.00 0.44 C ATOM 1383 C ASN A 89 -15.159 2.654 -9.142 1.00 0.48 C ATOM 1384 O ASN A 89 -14.383 3.472 -9.636 1.00 0.66 O ATOM 1385 CB ASN A 89 -16.998 4.325 -9.598 1.00 0.51 C ATOM 1386 CG ASN A 89 -16.883 4.557 -11.105 1.00 1.01 C ATOM 1387 OD1 ASN A 89 -17.623 5.363 -11.669 1.00 1.58 O ATOM 1388 ND2 ASN A 89 -15.951 3.891 -11.765 1.00 1.87 N ATOM 0 H ASN A 89 -17.801 1.768 -7.783 1.00 0.37 H new ATOM 0 HA ASN A 89 -17.117 2.197 -9.858 1.00 0.44 H new ATOM 0 HB2 ASN A 89 -18.013 4.567 -9.282 1.00 0.51 H new ATOM 0 HB3 ASN A 89 -16.331 5.017 -9.085 1.00 0.51 H new ATOM 0 HD21 ASN A 89 -15.831 4.039 -12.767 1.00 1.87 H new ATOM 0 HD22 ASN A 89 -15.352 3.229 -11.272 1.00 1.87 H new ATOM 1395 N TYR A 90 -14.748 1.545 -8.561 1.00 0.36 N ATOM 1396 CA TYR A 90 -13.376 1.100 -8.689 1.00 0.36 C ATOM 1397 C TYR A 90 -13.299 -0.413 -8.566 1.00 0.33 C ATOM 1398 O TYR A 90 -13.140 -0.953 -7.473 1.00 0.30 O ATOM 1399 CB TYR A 90 -12.463 1.757 -7.653 1.00 0.37 C ATOM 1400 CG TYR A 90 -11.001 1.590 -7.994 1.00 0.42 C ATOM 1401 CD1 TYR A 90 -10.413 2.396 -8.957 1.00 0.57 C ATOM 1402 CD2 TYR A 90 -10.218 0.613 -7.386 1.00 0.42 C ATOM 1403 CE1 TYR A 90 -9.088 2.244 -9.304 1.00 0.66 C ATOM 1404 CE2 TYR A 90 -8.891 0.448 -7.731 1.00 0.51 C ATOM 1405 CZ TYR A 90 -8.330 1.267 -8.689 1.00 0.61 C ATOM 1406 OH TYR A 90 -7.008 1.107 -9.038 1.00 0.73 O ATOM 0 H TYR A 90 -15.343 0.937 -7.997 1.00 0.36 H new ATOM 0 HA TYR A 90 -13.026 1.401 -9.676 1.00 0.36 H new ATOM 0 HB2 TYR A 90 -12.699 2.819 -7.584 1.00 0.37 H new ATOM 0 HB3 TYR A 90 -12.658 1.323 -6.672 1.00 0.37 H new ATOM 0 HD1 TYR A 90 -11.004 3.157 -9.444 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -10.655 -0.026 -6.633 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -8.645 2.885 -10.052 1.00 0.66 H new ATOM 0 HE2 TYR A 90 -8.296 -0.317 -7.254 1.00 0.51 H new ATOM 0 HH TYR A 90 -6.638 1.969 -9.321 1.00 0.73 H new ATOM 1416 N PRO A 91 -13.435 -1.119 -9.690 1.00 0.38 N ATOM 1417 CA PRO A 91 -13.279 -2.569 -9.723 1.00 0.38 C ATOM 1418 C PRO A 91 -11.833 -2.962 -9.432 1.00 0.36 C ATOM 1419 O PRO A 91 -10.909 -2.539 -10.131 1.00 0.45 O ATOM 1420 CB PRO A 91 -13.691 -2.943 -11.151 1.00 0.45 C ATOM 1421 CG PRO A 91 -13.468 -1.704 -11.950 1.00 0.50 C ATOM 1422 CD PRO A 91 -13.743 -0.557 -11.019 1.00 0.47 C ATOM 0 HA PRO A 91 -13.877 -3.084 -8.971 1.00 0.38 H new ATOM 0 HB2 PRO A 91 -13.093 -3.771 -11.531 1.00 0.45 H new ATOM 0 HB3 PRO A 91 -14.734 -3.258 -11.192 1.00 0.45 H new ATOM 0 HG2 PRO A 91 -12.447 -1.663 -12.329 1.00 0.50 H new ATOM 0 HG3 PRO A 91 -14.131 -1.673 -12.815 1.00 0.50 H new ATOM 0 HD2 PRO A 91 -13.116 0.305 -11.246 1.00 0.47 H new ATOM 0 HD3 PRO A 91 -14.779 -0.224 -11.085 1.00 0.47 H new ATOM 1430 N LEU A 92 -11.638 -3.749 -8.384 1.00 0.32 N ATOM 1431 CA LEU A 92 -10.298 -4.077 -7.923 1.00 0.32 C ATOM 1432 C LEU A 92 -9.585 -5.005 -8.893 1.00 0.30 C ATOM 1433 O LEU A 92 -10.139 -6.010 -9.344 1.00 0.30 O ATOM 1434 CB LEU A 92 -10.343 -4.715 -6.538 1.00 0.34 C ATOM 1435 CG LEU A 92 -10.926 -3.834 -5.429 1.00 0.33 C ATOM 1436 CD1 LEU A 92 -10.904 -4.566 -4.097 1.00 0.39 C ATOM 1437 CD2 LEU A 92 -10.161 -2.522 -5.328 1.00 0.32 C ATOM 0 H LEU A 92 -12.389 -4.171 -7.838 1.00 0.32 H new ATOM 0 HA LEU A 92 -9.738 -3.143 -7.868 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -10.930 -5.631 -6.597 1.00 0.34 H new ATOM 0 HB3 LEU A 92 -9.330 -5.003 -6.256 1.00 0.34 H new ATOM 0 HG LEU A 92 -11.962 -3.609 -5.681 1.00 0.33 H new ATOM 0 HD11 LEU A 92 -11.322 -3.924 -3.322 1.00 0.39 H new ATOM 0 HD12 LEU A 92 -11.498 -5.477 -4.173 1.00 0.39 H new ATOM 0 HD13 LEU A 92 -9.876 -4.823 -3.840 1.00 0.39 H new ATOM 0 HD21 LEU A 92 -10.591 -1.910 -4.535 1.00 0.32 H new ATOM 0 HD22 LEU A 92 -9.115 -2.727 -5.102 1.00 0.32 H new ATOM 0 HD23 LEU A 92 -10.229 -1.987 -6.275 1.00 0.32 H new ATOM 1449 N LYS A 93 -8.350 -4.640 -9.205 1.00 0.30 N ATOM 1450 CA LYS A 93 -7.511 -5.410 -10.107 1.00 0.30 C ATOM 1451 C LYS A 93 -7.040 -6.694 -9.431 1.00 0.31 C ATOM 1452 O LYS A 93 -6.836 -7.718 -10.082 1.00 0.36 O ATOM 1453 CB LYS A 93 -6.304 -4.569 -10.530 1.00 0.38 C ATOM 1454 CG LYS A 93 -6.671 -3.284 -11.258 1.00 0.53 C ATOM 1455 CD LYS A 93 -6.376 -3.375 -12.749 1.00 0.84 C ATOM 1456 CE LYS A 93 -4.881 -3.485 -13.020 1.00 1.06 C ATOM 1457 NZ LYS A 93 -4.574 -3.482 -14.477 1.00 1.55 N ATOM 0 H LYS A 93 -7.902 -3.800 -8.838 1.00 0.30 H new ATOM 0 HA LYS A 93 -8.093 -5.676 -10.989 1.00 0.30 H new ATOM 0 HB2 LYS A 93 -5.720 -4.319 -9.644 1.00 0.38 H new ATOM 0 HB3 LYS A 93 -5.663 -5.170 -11.175 1.00 0.38 H new ATOM 0 HG2 LYS A 93 -7.730 -3.072 -11.109 1.00 0.53 H new ATOM 0 HG3 LYS A 93 -6.115 -2.451 -10.828 1.00 0.53 H new ATOM 0 HD2 LYS A 93 -6.887 -4.241 -13.169 1.00 0.84 H new ATOM 0 HD3 LYS A 93 -6.774 -2.494 -13.253 1.00 0.84 H new ATOM 0 HE2 LYS A 93 -4.364 -2.655 -12.539 1.00 1.06 H new ATOM 0 HE3 LYS A 93 -4.498 -4.402 -12.571 1.00 1.06 H new ATOM 0 HZ1 LYS A 93 -3.546 -3.559 -14.615 1.00 1.55 H new ATOM 0 HZ2 LYS A 93 -5.046 -4.289 -14.933 1.00 1.55 H new ATOM 0 HZ3 LYS A 93 -4.915 -2.596 -14.902 1.00 1.55 H new ATOM 1471 N PHE A 94 -6.865 -6.612 -8.116 1.00 0.35 N ATOM 1472 CA PHE A 94 -6.414 -7.740 -7.311 1.00 0.44 C ATOM 1473 C PHE A 94 -7.212 -7.788 -6.007 1.00 0.44 C ATOM 1474 O PHE A 94 -6.684 -7.492 -4.940 1.00 0.48 O ATOM 1475 CB PHE A 94 -4.917 -7.605 -6.989 1.00 0.58 C ATOM 1476 CG PHE A 94 -4.061 -7.202 -8.160 1.00 0.58 C ATOM 1477 CD1 PHE A 94 -3.506 -8.157 -8.998 1.00 0.70 C ATOM 1478 CD2 PHE A 94 -3.807 -5.861 -8.419 1.00 0.57 C ATOM 1479 CE1 PHE A 94 -2.718 -7.783 -10.068 1.00 0.77 C ATOM 1480 CE2 PHE A 94 -3.016 -5.485 -9.487 1.00 0.61 C ATOM 1481 CZ PHE A 94 -2.473 -6.447 -10.314 1.00 0.70 C ATOM 0 H PHE A 94 -7.032 -5.761 -7.579 1.00 0.35 H new ATOM 0 HA PHE A 94 -6.572 -8.659 -7.875 1.00 0.44 H new ATOM 0 HB2 PHE A 94 -4.794 -6.869 -6.195 1.00 0.58 H new ATOM 0 HB3 PHE A 94 -4.554 -8.557 -6.600 1.00 0.58 H new ATOM 0 HD1 PHE A 94 -3.692 -9.204 -8.812 1.00 0.70 H new ATOM 0 HD2 PHE A 94 -4.233 -5.104 -7.778 1.00 0.57 H new ATOM 0 HE1 PHE A 94 -2.292 -8.537 -10.714 1.00 0.77 H new ATOM 0 HE2 PHE A 94 -2.823 -4.439 -9.675 1.00 0.61 H new ATOM 0 HZ PHE A 94 -1.858 -6.155 -11.152 1.00 0.70 H new ATOM 1491 N PRO A 95 -8.508 -8.130 -6.085 1.00 0.45 N ATOM 1492 CA PRO A 95 -9.397 -8.187 -4.913 1.00 0.52 C ATOM 1493 C PRO A 95 -8.843 -9.020 -3.755 1.00 0.51 C ATOM 1494 O PRO A 95 -9.150 -8.756 -2.593 1.00 0.55 O ATOM 1495 CB PRO A 95 -10.664 -8.845 -5.464 1.00 0.66 C ATOM 1496 CG PRO A 95 -10.663 -8.524 -6.916 1.00 0.57 C ATOM 1497 CD PRO A 95 -9.219 -8.461 -7.331 1.00 0.45 C ATOM 0 HA PRO A 95 -9.543 -7.194 -4.489 1.00 0.52 H new ATOM 0 HB2 PRO A 95 -10.654 -9.922 -5.298 1.00 0.66 H new ATOM 0 HB3 PRO A 95 -11.556 -8.455 -4.974 1.00 0.66 H new ATOM 0 HG2 PRO A 95 -11.198 -9.285 -7.483 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -11.164 -7.575 -7.105 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -8.880 -9.411 -7.744 1.00 0.45 H new ATOM 0 HD3 PRO A 95 -9.056 -7.703 -8.098 1.00 0.45 H new ATOM 1505 N GLN A 96 -8.023 -10.014 -4.070 1.00 0.56 N ATOM 1506 CA GLN A 96 -7.524 -10.940 -3.057 1.00 0.70 C ATOM 1507 C GLN A 96 -6.216 -10.468 -2.422 1.00 0.75 C ATOM 1508 O GLN A 96 -5.523 -11.254 -1.777 1.00 0.96 O ATOM 1509 CB GLN A 96 -7.334 -12.333 -3.660 1.00 0.83 C ATOM 1510 CG GLN A 96 -8.633 -12.981 -4.108 1.00 0.93 C ATOM 1511 CD GLN A 96 -8.437 -14.393 -4.624 1.00 1.70 C ATOM 1512 OE1 GLN A 96 -9.175 -14.852 -5.497 1.00 2.40 O ATOM 1513 NE2 GLN A 96 -7.450 -15.093 -4.087 1.00 2.31 N ATOM 0 H GLN A 96 -7.689 -10.201 -5.015 1.00 0.56 H new ATOM 0 HA GLN A 96 -8.274 -10.978 -2.267 1.00 0.70 H new ATOM 0 HB2 GLN A 96 -6.659 -12.262 -4.513 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -6.851 -12.976 -2.924 1.00 0.83 H new ATOM 0 HG2 GLN A 96 -9.332 -12.998 -3.272 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -9.086 -12.373 -4.891 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -6.862 -14.675 -3.366 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -7.278 -16.050 -4.394 1.00 2.31 H new ATOM 1522 N LEU A 97 -5.870 -9.199 -2.595 1.00 0.67 N ATOM 1523 CA LEU A 97 -4.681 -8.666 -1.944 1.00 0.81 C ATOM 1524 C LEU A 97 -4.974 -8.363 -0.479 1.00 0.61 C ATOM 1525 O LEU A 97 -6.110 -8.043 -0.114 1.00 0.55 O ATOM 1526 CB LEU A 97 -4.137 -7.419 -2.681 1.00 1.09 C ATOM 1527 CG LEU A 97 -5.079 -6.208 -2.819 1.00 1.70 C ATOM 1528 CD1 LEU A 97 -5.155 -5.404 -1.529 1.00 2.43 C ATOM 1529 CD2 LEU A 97 -4.619 -5.315 -3.964 1.00 2.44 C ATOM 0 H LEU A 97 -6.384 -8.531 -3.169 1.00 0.67 H new ATOM 0 HA LEU A 97 -3.900 -9.425 -1.989 1.00 0.81 H new ATOM 0 HB2 LEU A 97 -3.237 -7.088 -2.163 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -3.834 -7.725 -3.682 1.00 1.09 H new ATOM 0 HG LEU A 97 -6.078 -6.588 -3.034 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -5.829 -4.558 -1.666 1.00 2.43 H new ATOM 0 HD12 LEU A 97 -5.529 -6.039 -0.726 1.00 2.43 H new ATOM 0 HD13 LEU A 97 -4.162 -5.038 -1.270 1.00 2.43 H new ATOM 0 HD21 LEU A 97 -5.292 -4.462 -4.053 1.00 2.44 H new ATOM 0 HD22 LEU A 97 -3.608 -4.960 -3.765 1.00 2.44 H new ATOM 0 HD23 LEU A 97 -4.628 -5.883 -4.894 1.00 2.44 H new ATOM 1541 N HIS A 98 -3.957 -8.511 0.359 1.00 0.58 N ATOM 1542 CA HIS A 98 -4.066 -8.169 1.769 1.00 0.51 C ATOM 1543 C HIS A 98 -4.327 -6.681 1.929 1.00 0.54 C ATOM 1544 O HIS A 98 -3.614 -5.849 1.363 1.00 0.68 O ATOM 1545 CB HIS A 98 -2.793 -8.568 2.515 1.00 0.53 C ATOM 1546 CG HIS A 98 -2.630 -10.046 2.641 1.00 0.54 C ATOM 1547 ND1 HIS A 98 -2.188 -10.807 1.591 1.00 0.71 N ATOM 1548 CD2 HIS A 98 -2.890 -10.852 3.695 1.00 0.56 C ATOM 1549 CE1 HIS A 98 -2.193 -12.054 2.023 1.00 0.74 C ATOM 1550 NE2 HIS A 98 -2.612 -12.133 3.294 1.00 0.65 N ATOM 0 H HIS A 98 -3.042 -8.868 0.084 1.00 0.58 H new ATOM 0 HA HIS A 98 -4.904 -8.719 2.197 1.00 0.51 H new ATOM 0 HB2 HIS A 98 -1.929 -8.156 1.994 1.00 0.53 H new ATOM 0 HB3 HIS A 98 -2.807 -8.123 3.510 1.00 0.53 H new ATOM 0 HD2 HIS A 98 -3.248 -10.545 4.667 1.00 0.56 H new ATOM 0 HE1 HIS A 98 -1.897 -12.905 1.427 1.00 0.74 H new ATOM 0 HE2 HIS A 98 -2.706 -12.981 3.853 1.00 0.65 H new ATOM 1558 N CYS A 99 -5.361 -6.362 2.694 1.00 0.46 N ATOM 1559 CA CYS A 99 -5.806 -4.989 2.871 1.00 0.52 C ATOM 1560 C CYS A 99 -4.706 -4.116 3.460 1.00 0.45 C ATOM 1561 O CYS A 99 -4.147 -4.429 4.509 1.00 0.53 O ATOM 1562 CB CYS A 99 -7.025 -4.958 3.788 1.00 0.64 C ATOM 1563 SG CYS A 99 -8.334 -6.096 3.294 1.00 0.55 S ATOM 0 H CYS A 99 -5.914 -7.047 3.209 1.00 0.46 H new ATOM 0 HA CYS A 99 -6.066 -4.592 1.890 1.00 0.52 H new ATOM 0 HB2 CYS A 99 -6.711 -5.199 4.804 1.00 0.64 H new ATOM 0 HB3 CYS A 99 -7.426 -3.945 3.810 1.00 0.64 H new ATOM 0 HG CYS A 99 -8.097 -7.273 3.792 1.00 0.55 H new ATOM 1569 N LEU A 100 -4.394 -3.032 2.772 1.00 0.34 N ATOM 1570 CA LEU A 100 -3.464 -2.050 3.289 1.00 0.30 C ATOM 1571 C LEU A 100 -4.078 -1.373 4.494 1.00 0.29 C ATOM 1572 O LEU A 100 -5.190 -0.854 4.421 1.00 0.28 O ATOM 1573 CB LEU A 100 -3.118 -1.011 2.224 1.00 0.31 C ATOM 1574 CG LEU A 100 -2.230 0.141 2.692 1.00 0.33 C ATOM 1575 CD1 LEU A 100 -0.912 -0.396 3.217 1.00 0.40 C ATOM 1576 CD2 LEU A 100 -1.987 1.118 1.555 1.00 0.40 C ATOM 0 H LEU A 100 -4.774 -2.811 1.851 1.00 0.34 H new ATOM 0 HA LEU A 100 -2.542 -2.554 3.578 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -2.621 -1.517 1.396 1.00 0.31 H new ATOM 0 HB3 LEU A 100 -4.046 -0.595 1.832 1.00 0.31 H new ATOM 0 HG LEU A 100 -2.739 0.669 3.498 1.00 0.33 H new ATOM 0 HD11 LEU A 100 -0.287 0.434 3.548 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -1.100 -1.066 4.056 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -0.400 -0.942 2.425 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -1.353 1.933 1.905 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -1.494 0.602 0.731 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -2.940 1.521 1.212 1.00 0.40 H new ATOM 1588 N ASN A 101 -3.361 -1.393 5.595 1.00 0.30 N ATOM 1589 CA ASN A 101 -3.862 -0.822 6.825 1.00 0.32 C ATOM 1590 C ASN A 101 -3.031 0.392 7.195 1.00 0.30 C ATOM 1591 O ASN A 101 -1.894 0.268 7.661 1.00 0.35 O ATOM 1592 CB ASN A 101 -3.832 -1.857 7.952 1.00 0.38 C ATOM 1593 CG ASN A 101 -4.288 -1.290 9.284 1.00 0.44 C ATOM 1594 OD1 ASN A 101 -5.122 -0.389 9.339 1.00 1.01 O ATOM 1595 ND2 ASN A 101 -3.740 -1.817 10.366 1.00 0.89 N ATOM 0 H ASN A 101 -2.428 -1.799 5.664 1.00 0.30 H new ATOM 0 HA ASN A 101 -4.898 -0.515 6.678 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -4.470 -2.699 7.683 1.00 0.38 H new ATOM 0 HB3 ASN A 101 -2.819 -2.245 8.055 1.00 0.38 H new ATOM 0 HD21 ASN A 101 -4.006 -1.477 11.290 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -3.051 -2.564 10.277 1.00 0.89 H new ATOM 1602 N VAL A 102 -3.586 1.561 6.961 1.00 0.26 N ATOM 1603 CA VAL A 102 -2.880 2.803 7.218 1.00 0.25 C ATOM 1604 C VAL A 102 -3.560 3.595 8.325 1.00 0.32 C ATOM 1605 O VAL A 102 -4.706 3.321 8.681 1.00 0.36 O ATOM 1606 CB VAL A 102 -2.775 3.672 5.951 1.00 0.21 C ATOM 1607 CG1 VAL A 102 -1.948 2.975 4.886 1.00 0.21 C ATOM 1608 CG2 VAL A 102 -4.150 4.001 5.419 1.00 0.22 C ATOM 0 H VAL A 102 -4.529 1.680 6.591 1.00 0.26 H new ATOM 0 HA VAL A 102 -1.872 2.536 7.535 1.00 0.25 H new ATOM 0 HB VAL A 102 -2.274 4.603 6.218 1.00 0.21 H new ATOM 0 HG11 VAL A 102 -1.888 3.608 4.000 1.00 0.21 H new ATOM 0 HG12 VAL A 102 -0.944 2.789 5.268 1.00 0.21 H new ATOM 0 HG13 VAL A 102 -2.417 2.027 4.623 1.00 0.21 H new ATOM 0 HG21 VAL A 102 -4.056 4.616 4.524 1.00 0.22 H new ATOM 0 HG22 VAL A 102 -4.675 3.078 5.172 1.00 0.22 H new ATOM 0 HG23 VAL A 102 -4.712 4.547 6.177 1.00 0.22 H new ATOM 1618 N GLY A 103 -2.847 4.562 8.871 1.00 0.38 N ATOM 1619 CA GLY A 103 -3.396 5.383 9.925 1.00 0.50 C ATOM 1620 C GLY A 103 -2.880 4.980 11.286 1.00 0.65 C ATOM 1621 O GLY A 103 -1.679 5.058 11.553 1.00 0.90 O ATOM 0 H GLY A 103 -1.891 4.795 8.601 1.00 0.38 H new ATOM 0 HA2 GLY A 103 -3.146 6.427 9.738 1.00 0.50 H new ATOM 0 HA3 GLY A 103 -4.483 5.308 9.913 1.00 0.50 H new ATOM 1625 N SER A 104 -3.776 4.520 12.140 1.00 0.67 N ATOM 1626 CA SER A 104 -3.425 4.196 13.508 1.00 0.79 C ATOM 1627 C SER A 104 -4.137 2.925 13.964 1.00 0.79 C ATOM 1628 O SER A 104 -4.950 2.366 13.230 1.00 0.74 O ATOM 1629 CB SER A 104 -3.787 5.372 14.422 1.00 0.99 C ATOM 1630 OG SER A 104 -3.393 5.137 15.763 1.00 1.69 O ATOM 0 H SER A 104 -4.757 4.362 11.907 1.00 0.67 H new ATOM 0 HA SER A 104 -2.351 4.016 13.564 1.00 0.79 H new ATOM 0 HB2 SER A 104 -3.306 6.279 14.055 1.00 0.99 H new ATOM 0 HB3 SER A 104 -4.863 5.544 14.384 1.00 0.99 H new ATOM 0 HG SER A 104 -3.490 5.963 16.282 1.00 1.69 H new ATOM 1636 N SER A 105 -3.828 2.466 15.165 1.00 0.95 N ATOM 1637 CA SER A 105 -4.506 1.318 15.732 1.00 1.05 C ATOM 1638 C SER A 105 -5.935 1.699 16.121 1.00 1.13 C ATOM 1639 O SER A 105 -6.868 0.912 15.956 1.00 1.21 O ATOM 1640 CB SER A 105 -3.741 0.818 16.955 1.00 1.24 C ATOM 1641 OG SER A 105 -2.365 0.652 16.657 1.00 1.56 O ATOM 0 H SER A 105 -3.111 2.873 15.765 1.00 0.95 H new ATOM 0 HA SER A 105 -4.545 0.520 14.990 1.00 1.05 H new ATOM 0 HB2 SER A 105 -3.857 1.526 17.776 1.00 1.24 H new ATOM 0 HB3 SER A 105 -4.162 -0.130 17.290 1.00 1.24 H new ATOM 0 HG SER A 105 -1.894 0.333 17.455 1.00 1.56 H new ATOM 1647 N ILE A 106 -6.096 2.928 16.610 1.00 1.17 N ATOM 1648 CA ILE A 106 -7.401 3.417 17.048 1.00 1.29 C ATOM 1649 C ILE A 106 -8.298 3.726 15.851 1.00 1.21 C ATOM 1650 O ILE A 106 -9.508 3.500 15.892 1.00 1.34 O ATOM 1651 CB ILE A 106 -7.265 4.670 17.942 1.00 1.42 C ATOM 1652 CG1 ILE A 106 -6.484 5.774 17.219 1.00 1.33 C ATOM 1653 CG2 ILE A 106 -6.578 4.299 19.250 1.00 1.54 C ATOM 1654 CD1 ILE A 106 -6.364 7.057 18.013 1.00 1.65 C ATOM 0 H ILE A 106 -5.338 3.603 16.713 1.00 1.17 H new ATOM 0 HA ILE A 106 -7.861 2.624 17.638 1.00 1.29 H new ATOM 0 HB ILE A 106 -8.262 5.052 18.161 1.00 1.42 H new ATOM 0 HG12 ILE A 106 -5.484 5.407 16.987 1.00 1.33 H new ATOM 0 HG13 ILE A 106 -6.973 5.990 16.269 1.00 1.33 H new ATOM 0 HG21 ILE A 106 -6.485 5.186 19.876 1.00 1.54 H new ATOM 0 HG22 ILE A 106 -7.170 3.547 19.772 1.00 1.54 H new ATOM 0 HG23 ILE A 106 -5.587 3.898 19.039 1.00 1.54 H new ATOM 0 HD11 ILE A 106 -5.799 7.790 17.437 1.00 1.65 H new ATOM 0 HD12 ILE A 106 -7.359 7.449 18.223 1.00 1.65 H new ATOM 0 HD13 ILE A 106 -5.847 6.857 18.952 1.00 1.65 H new ATOM 1666 N LYS A 107 -7.694 4.228 14.783 1.00 1.03 N ATOM 1667 CA LYS A 107 -8.400 4.466 13.537 1.00 0.98 C ATOM 1668 C LYS A 107 -7.651 3.803 12.398 1.00 0.82 C ATOM 1669 O LYS A 107 -6.604 4.287 11.968 1.00 0.77 O ATOM 1670 CB LYS A 107 -8.525 5.968 13.274 1.00 1.09 C ATOM 1671 CG LYS A 107 -9.526 6.676 14.178 1.00 1.56 C ATOM 1672 CD LYS A 107 -10.955 6.213 13.913 1.00 1.87 C ATOM 1673 CE LYS A 107 -11.417 6.578 12.508 1.00 1.81 C ATOM 1674 NZ LYS A 107 -11.446 8.050 12.289 1.00 2.29 N ATOM 0 H LYS A 107 -6.706 4.480 14.758 1.00 1.03 H new ATOM 0 HA LYS A 107 -9.402 4.042 13.609 1.00 0.98 H new ATOM 0 HB2 LYS A 107 -7.546 6.431 13.401 1.00 1.09 H new ATOM 0 HB3 LYS A 107 -8.818 6.121 12.235 1.00 1.09 H new ATOM 0 HG2 LYS A 107 -9.270 6.488 15.221 1.00 1.56 H new ATOM 0 HG3 LYS A 107 -9.458 7.753 14.022 1.00 1.56 H new ATOM 0 HD2 LYS A 107 -11.018 5.133 14.047 1.00 1.87 H new ATOM 0 HD3 LYS A 107 -11.625 6.665 14.645 1.00 1.87 H new ATOM 0 HE2 LYS A 107 -10.752 6.117 11.778 1.00 1.81 H new ATOM 0 HE3 LYS A 107 -12.412 6.167 12.337 1.00 1.81 H new ATOM 0 HZ1 LYS A 107 -11.967 8.261 11.414 1.00 2.29 H new ATOM 0 HZ2 LYS A 107 -11.918 8.511 13.093 1.00 2.29 H new ATOM 0 HZ3 LYS A 107 -10.473 8.408 12.207 1.00 2.29 H new ATOM 1688 N SER A 108 -8.197 2.705 11.903 1.00 0.80 N ATOM 1689 CA SER A 108 -7.537 1.924 10.874 1.00 0.69 C ATOM 1690 C SER A 108 -8.198 2.140 9.517 1.00 0.60 C ATOM 1691 O SER A 108 -9.408 1.957 9.366 1.00 0.74 O ATOM 1692 CB SER A 108 -7.555 0.442 11.258 1.00 0.78 C ATOM 1693 OG SER A 108 -8.839 0.049 11.728 1.00 1.43 O ATOM 0 H SER A 108 -9.100 2.334 12.200 1.00 0.80 H new ATOM 0 HA SER A 108 -6.502 2.255 10.793 1.00 0.69 H new ATOM 0 HB2 SER A 108 -7.280 -0.164 10.395 1.00 0.78 H new ATOM 0 HB3 SER A 108 -6.809 0.254 12.030 1.00 0.78 H new ATOM 0 HG SER A 108 -9.532 0.470 11.177 1.00 1.43 H new ATOM 1699 N ILE A 109 -7.403 2.547 8.542 1.00 0.44 N ATOM 1700 CA ILE A 109 -7.890 2.757 7.192 1.00 0.39 C ATOM 1701 C ILE A 109 -7.489 1.578 6.323 1.00 0.35 C ATOM 1702 O ILE A 109 -6.302 1.278 6.194 1.00 0.34 O ATOM 1703 CB ILE A 109 -7.297 4.031 6.566 1.00 0.37 C ATOM 1704 CG1 ILE A 109 -7.198 5.159 7.590 1.00 0.41 C ATOM 1705 CG2 ILE A 109 -8.140 4.475 5.382 1.00 0.40 C ATOM 1706 CD1 ILE A 109 -6.286 6.273 7.133 1.00 0.42 C ATOM 0 H ILE A 109 -6.409 2.740 8.664 1.00 0.44 H new ATOM 0 HA ILE A 109 -8.974 2.859 7.245 1.00 0.39 H new ATOM 0 HB ILE A 109 -6.289 3.797 6.222 1.00 0.37 H new ATOM 0 HG12 ILE A 109 -8.193 5.562 7.780 1.00 0.41 H new ATOM 0 HG13 ILE A 109 -6.831 4.757 8.535 1.00 0.41 H new ATOM 0 HG21 ILE A 109 -7.710 5.378 4.947 1.00 0.40 H new ATOM 0 HG22 ILE A 109 -8.159 3.684 4.632 1.00 0.40 H new ATOM 0 HG23 ILE A 109 -9.157 4.682 5.716 1.00 0.40 H new ATOM 0 HD11 ILE A 109 -6.250 7.050 7.896 1.00 0.42 H new ATOM 0 HD12 ILE A 109 -5.283 5.878 6.969 1.00 0.42 H new ATOM 0 HD13 ILE A 109 -6.666 6.696 6.203 1.00 0.42 H new ATOM 1718 N LEU A 110 -8.462 0.911 5.728 1.00 0.36 N ATOM 1719 CA LEU A 110 -8.169 -0.243 4.898 1.00 0.31 C ATOM 1720 C LEU A 110 -8.408 0.067 3.424 1.00 0.31 C ATOM 1721 O LEU A 110 -9.514 0.435 3.027 1.00 0.37 O ATOM 1722 CB LEU A 110 -9.013 -1.443 5.326 1.00 0.34 C ATOM 1723 CG LEU A 110 -8.772 -1.939 6.754 1.00 0.43 C ATOM 1724 CD1 LEU A 110 -9.743 -3.056 7.099 1.00 0.65 C ATOM 1725 CD2 LEU A 110 -7.338 -2.418 6.925 1.00 0.83 C ATOM 0 H LEU A 110 -9.452 1.145 5.803 1.00 0.36 H new ATOM 0 HA LEU A 110 -7.116 -0.490 5.031 1.00 0.31 H new ATOM 0 HB2 LEU A 110 -10.066 -1.180 5.224 1.00 0.34 H new ATOM 0 HB3 LEU A 110 -8.821 -2.265 4.637 1.00 0.34 H new ATOM 0 HG LEU A 110 -8.940 -1.105 7.436 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -9.558 -3.397 8.118 1.00 0.65 H new ATOM 0 HD12 LEU A 110 -10.765 -2.687 7.020 1.00 0.65 H new ATOM 0 HD13 LEU A 110 -9.603 -3.887 6.407 1.00 0.65 H new ATOM 0 HD21 LEU A 110 -7.190 -2.766 7.947 1.00 0.83 H new ATOM 0 HD22 LEU A 110 -7.142 -3.236 6.232 1.00 0.83 H new ATOM 0 HD23 LEU A 110 -6.653 -1.596 6.719 1.00 0.83 H new ATOM 1737 N LEU A 111 -7.358 -0.075 2.627 1.00 0.28 N ATOM 1738 CA LEU A 111 -7.425 0.195 1.187 1.00 0.30 C ATOM 1739 C LEU A 111 -6.530 -0.781 0.418 1.00 0.30 C ATOM 1740 O LEU A 111 -5.702 -1.451 1.009 1.00 0.61 O ATOM 1741 CB LEU A 111 -7.000 1.648 0.892 1.00 0.52 C ATOM 1742 CG LEU A 111 -5.773 2.153 1.662 1.00 0.40 C ATOM 1743 CD1 LEU A 111 -5.011 3.195 0.861 1.00 0.48 C ATOM 1744 CD2 LEU A 111 -6.194 2.756 2.986 1.00 0.62 C ATOM 0 H LEU A 111 -6.440 -0.378 2.952 1.00 0.28 H new ATOM 0 HA LEU A 111 -8.455 0.058 0.859 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -6.798 1.738 -0.175 1.00 0.52 H new ATOM 0 HB3 LEU A 111 -7.841 2.305 1.114 1.00 0.52 H new ATOM 0 HG LEU A 111 -5.120 1.298 1.838 1.00 0.40 H new ATOM 0 HD11 LEU A 111 -4.147 3.534 1.433 1.00 0.48 H new ATOM 0 HD12 LEU A 111 -4.675 2.757 -0.079 1.00 0.48 H new ATOM 0 HD13 LEU A 111 -5.664 4.043 0.653 1.00 0.48 H new ATOM 0 HD21 LEU A 111 -5.313 3.110 3.521 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -6.870 3.592 2.806 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -6.703 2.000 3.585 1.00 0.62 H new ATOM 1756 N PRO A 112 -6.713 -0.913 -0.903 1.00 0.34 N ATOM 1757 CA PRO A 112 -5.822 -1.711 -1.742 1.00 0.33 C ATOM 1758 C PRO A 112 -4.615 -0.899 -2.210 1.00 0.32 C ATOM 1759 O PRO A 112 -4.743 0.272 -2.573 1.00 0.33 O ATOM 1760 CB PRO A 112 -6.720 -2.081 -2.919 1.00 0.35 C ATOM 1761 CG PRO A 112 -7.662 -0.935 -3.055 1.00 0.81 C ATOM 1762 CD PRO A 112 -7.814 -0.324 -1.683 1.00 0.64 C ATOM 0 HA PRO A 112 -5.401 -2.572 -1.223 1.00 0.33 H new ATOM 0 HB2 PRO A 112 -6.139 -2.225 -3.830 1.00 0.35 H new ATOM 0 HB3 PRO A 112 -7.255 -3.012 -2.731 1.00 0.35 H new ATOM 0 HG2 PRO A 112 -7.277 -0.201 -3.763 1.00 0.81 H new ATOM 0 HG3 PRO A 112 -8.626 -1.271 -3.436 1.00 0.81 H new ATOM 0 HD2 PRO A 112 -7.739 0.763 -1.720 1.00 0.64 H new ATOM 0 HD3 PRO A 112 -8.784 -0.562 -1.246 1.00 0.64 H new ATOM 1770 N ILE A 113 -3.449 -1.535 -2.214 1.00 0.33 N ATOM 1771 CA ILE A 113 -2.199 -0.860 -2.561 1.00 0.29 C ATOM 1772 C ILE A 113 -2.180 -0.428 -4.038 1.00 0.30 C ATOM 1773 O ILE A 113 -1.314 0.337 -4.465 1.00 0.28 O ATOM 1774 CB ILE A 113 -0.980 -1.765 -2.247 1.00 0.30 C ATOM 1775 CG1 ILE A 113 0.327 -0.985 -2.377 1.00 0.26 C ATOM 1776 CG2 ILE A 113 -0.962 -2.991 -3.148 1.00 0.33 C ATOM 1777 CD1 ILE A 113 0.506 0.072 -1.307 1.00 0.25 C ATOM 0 H ILE A 113 -3.341 -2.522 -1.980 1.00 0.33 H new ATOM 0 HA ILE A 113 -2.133 0.040 -1.949 1.00 0.29 H new ATOM 0 HB ILE A 113 -1.075 -2.103 -1.215 1.00 0.30 H new ATOM 0 HG12 ILE A 113 1.164 -1.682 -2.332 1.00 0.26 H new ATOM 0 HG13 ILE A 113 0.361 -0.509 -3.357 1.00 0.26 H new ATOM 0 HG21 ILE A 113 -0.097 -3.608 -2.906 1.00 0.33 H new ATOM 0 HG22 ILE A 113 -1.874 -3.569 -2.995 1.00 0.33 H new ATOM 0 HG23 ILE A 113 -0.903 -2.676 -4.190 1.00 0.33 H new ATOM 0 HD11 ILE A 113 1.454 0.587 -1.459 1.00 0.25 H new ATOM 0 HD12 ILE A 113 -0.311 0.791 -1.366 1.00 0.25 H new ATOM 0 HD13 ILE A 113 0.504 -0.401 -0.325 1.00 0.25 H new ATOM 1789 N GLU A 114 -3.153 -0.913 -4.805 1.00 0.36 N ATOM 1790 CA GLU A 114 -3.317 -0.518 -6.205 1.00 0.42 C ATOM 1791 C GLU A 114 -3.620 0.981 -6.307 1.00 0.33 C ATOM 1792 O GLU A 114 -3.314 1.627 -7.311 1.00 0.41 O ATOM 1793 CB GLU A 114 -4.447 -1.343 -6.842 1.00 0.57 C ATOM 1794 CG GLU A 114 -4.798 -0.951 -8.271 1.00 0.72 C ATOM 1795 CD GLU A 114 -3.678 -1.209 -9.260 1.00 1.47 C ATOM 1796 OE1 GLU A 114 -3.579 -2.343 -9.763 1.00 1.87 O ATOM 1797 OE2 GLU A 114 -2.909 -0.268 -9.559 1.00 1.90 O ATOM 0 H GLU A 114 -3.846 -1.586 -4.479 1.00 0.36 H new ATOM 0 HA GLU A 114 -2.389 -0.712 -6.743 1.00 0.42 H new ATOM 0 HB2 GLU A 114 -4.161 -2.395 -6.829 1.00 0.57 H new ATOM 0 HB3 GLU A 114 -5.340 -1.247 -6.224 1.00 0.57 H new ATOM 0 HG2 GLU A 114 -5.684 -1.504 -8.584 1.00 0.72 H new ATOM 0 HG3 GLU A 114 -5.058 0.107 -8.296 1.00 0.72 H new ATOM 1804 N LEU A 115 -4.187 1.536 -5.247 1.00 0.24 N ATOM 1805 CA LEU A 115 -4.570 2.941 -5.233 1.00 0.24 C ATOM 1806 C LEU A 115 -3.515 3.786 -4.538 1.00 0.21 C ATOM 1807 O LEU A 115 -3.780 4.914 -4.121 1.00 0.29 O ATOM 1808 CB LEU A 115 -5.918 3.117 -4.535 1.00 0.30 C ATOM 1809 CG LEU A 115 -7.133 2.710 -5.364 1.00 0.39 C ATOM 1810 CD1 LEU A 115 -8.388 2.728 -4.507 1.00 0.93 C ATOM 1811 CD2 LEU A 115 -7.289 3.643 -6.556 1.00 1.03 C ATOM 0 H LEU A 115 -4.393 1.034 -4.383 1.00 0.24 H new ATOM 0 HA LEU A 115 -4.656 3.277 -6.267 1.00 0.24 H new ATOM 0 HB2 LEU A 115 -5.913 2.532 -3.615 1.00 0.30 H new ATOM 0 HB3 LEU A 115 -6.027 4.163 -4.247 1.00 0.30 H new ATOM 0 HG LEU A 115 -6.983 1.695 -5.732 1.00 0.39 H new ATOM 0 HD11 LEU A 115 -9.246 2.436 -5.112 1.00 0.93 H new ATOM 0 HD12 LEU A 115 -8.273 2.029 -3.679 1.00 0.93 H new ATOM 0 HD13 LEU A 115 -8.546 3.733 -4.115 1.00 0.93 H new ATOM 0 HD21 LEU A 115 -8.159 3.344 -7.141 1.00 1.03 H new ATOM 0 HD22 LEU A 115 -7.424 4.665 -6.203 1.00 1.03 H new ATOM 0 HD23 LEU A 115 -6.397 3.589 -7.179 1.00 1.03 H new ATOM 1823 N CYS A 116 -2.317 3.245 -4.417 1.00 0.24 N ATOM 1824 CA CYS A 116 -1.254 3.939 -3.722 1.00 0.23 C ATOM 1825 C CYS A 116 -0.024 4.078 -4.602 1.00 0.22 C ATOM 1826 O CYS A 116 0.330 3.170 -5.356 1.00 0.25 O ATOM 1827 CB CYS A 116 -0.901 3.198 -2.435 1.00 0.25 C ATOM 1828 SG CYS A 116 -2.314 2.919 -1.346 1.00 0.37 S ATOM 0 H CYS A 116 -2.058 2.331 -4.790 1.00 0.24 H new ATOM 0 HA CYS A 116 -1.606 4.940 -3.474 1.00 0.23 H new ATOM 0 HB2 CYS A 116 -0.455 2.237 -2.690 1.00 0.25 H new ATOM 0 HB3 CYS A 116 -0.144 3.767 -1.895 1.00 0.25 H new ATOM 0 HG CYS A 116 -2.016 3.305 -0.141 1.00 0.37 H new ATOM 1834 N SER A 117 0.602 5.234 -4.526 1.00 0.24 N ATOM 1835 CA SER A 117 1.872 5.459 -5.176 1.00 0.24 C ATOM 1836 C SER A 117 2.909 5.793 -4.116 1.00 0.24 C ATOM 1837 O SER A 117 2.612 6.485 -3.148 1.00 0.25 O ATOM 1838 CB SER A 117 1.756 6.596 -6.189 1.00 0.29 C ATOM 1839 OG SER A 117 0.581 6.453 -6.971 1.00 0.63 O ATOM 0 H SER A 117 0.245 6.040 -4.013 1.00 0.24 H new ATOM 0 HA SER A 117 2.175 4.561 -5.714 1.00 0.24 H new ATOM 0 HB2 SER A 117 1.738 7.553 -5.668 1.00 0.29 H new ATOM 0 HB3 SER A 117 2.632 6.603 -6.838 1.00 0.29 H new ATOM 0 HG SER A 117 0.523 7.191 -7.613 1.00 0.63 H new ATOM 1845 N ILE A 118 4.109 5.294 -4.293 1.00 0.26 N ATOM 1846 CA ILE A 118 5.159 5.490 -3.321 1.00 0.28 C ATOM 1847 C ILE A 118 6.040 6.664 -3.742 1.00 0.34 C ATOM 1848 O ILE A 118 6.337 6.840 -4.929 1.00 0.36 O ATOM 1849 CB ILE A 118 5.998 4.196 -3.159 1.00 0.29 C ATOM 1850 CG1 ILE A 118 7.085 4.383 -2.106 1.00 0.29 C ATOM 1851 CG2 ILE A 118 6.622 3.785 -4.488 1.00 0.39 C ATOM 1852 CD1 ILE A 118 7.784 3.099 -1.708 1.00 0.31 C ATOM 0 H ILE A 118 4.384 4.745 -5.107 1.00 0.26 H new ATOM 0 HA ILE A 118 4.711 5.721 -2.354 1.00 0.28 H new ATOM 0 HB ILE A 118 5.327 3.402 -2.829 1.00 0.29 H new ATOM 0 HG12 ILE A 118 7.827 5.086 -2.485 1.00 0.29 H new ATOM 0 HG13 ILE A 118 6.643 4.834 -1.218 1.00 0.29 H new ATOM 0 HG21 ILE A 118 7.206 2.875 -4.350 1.00 0.39 H new ATOM 0 HG22 ILE A 118 5.834 3.603 -5.219 1.00 0.39 H new ATOM 0 HG23 ILE A 118 7.273 4.583 -4.847 1.00 0.39 H new ATOM 0 HD11 ILE A 118 8.543 3.316 -0.956 1.00 0.31 H new ATOM 0 HD12 ILE A 118 7.055 2.400 -1.297 1.00 0.31 H new ATOM 0 HD13 ILE A 118 8.258 2.656 -2.584 1.00 0.31 H new ATOM 1864 N GLU A 119 6.419 7.488 -2.774 1.00 0.41 N ATOM 1865 CA GLU A 119 7.188 8.689 -3.055 1.00 0.50 C ATOM 1866 C GLU A 119 8.660 8.338 -3.229 1.00 0.55 C ATOM 1867 O GLU A 119 9.251 7.663 -2.384 1.00 0.56 O ATOM 1868 CB GLU A 119 7.020 9.709 -1.927 1.00 0.60 C ATOM 1869 CG GLU A 119 7.632 11.066 -2.242 1.00 1.23 C ATOM 1870 CD GLU A 119 7.538 12.037 -1.086 1.00 1.69 C ATOM 1871 OE1 GLU A 119 6.413 12.430 -0.716 1.00 2.02 O ATOM 1872 OE2 GLU A 119 8.595 12.426 -0.545 1.00 2.46 O ATOM 0 H GLU A 119 6.205 7.345 -1.787 1.00 0.41 H new ATOM 0 HA GLU A 119 6.817 9.131 -3.980 1.00 0.50 H new ATOM 0 HB2 GLU A 119 5.958 9.837 -1.719 1.00 0.60 H new ATOM 0 HB3 GLU A 119 7.477 9.314 -1.020 1.00 0.60 H new ATOM 0 HG2 GLU A 119 8.679 10.932 -2.513 1.00 1.23 H new ATOM 0 HG3 GLU A 119 7.130 11.493 -3.110 1.00 1.23 H new ATOM 1879 N GLU A 120 9.249 8.800 -4.325 1.00 0.68 N ATOM 1880 CA GLU A 120 10.637 8.485 -4.637 1.00 0.84 C ATOM 1881 C GLU A 120 11.599 9.178 -3.678 1.00 0.98 C ATOM 1882 O GLU A 120 12.774 8.834 -3.617 1.00 1.08 O ATOM 1883 CB GLU A 120 10.959 8.854 -6.092 1.00 1.10 C ATOM 1884 CG GLU A 120 10.624 10.291 -6.470 1.00 1.26 C ATOM 1885 CD GLU A 120 11.634 11.305 -5.970 1.00 2.16 C ATOM 1886 OE1 GLU A 120 12.795 11.273 -6.431 1.00 2.36 O ATOM 1887 OE2 GLU A 120 11.267 12.147 -5.129 1.00 2.92 O ATOM 0 H GLU A 120 8.787 9.394 -5.013 1.00 0.68 H new ATOM 0 HA GLU A 120 10.769 7.410 -4.513 1.00 0.84 H new ATOM 0 HB2 GLU A 120 12.021 8.683 -6.270 1.00 1.10 H new ATOM 0 HB3 GLU A 120 10.413 8.181 -6.753 1.00 1.10 H new ATOM 0 HG2 GLU A 120 10.555 10.365 -7.555 1.00 1.26 H new ATOM 0 HG3 GLU A 120 9.642 10.543 -6.070 1.00 1.26 H new