USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1101 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 11 ASN : amide:sc= 0.416 K(o=0.28,f=-1.9!) USER MOD Set 1.2: A 74 GLN : amide:sc= -0.141 X(o=0.28,f=0.41) USER MOD Single : A 4 TYR OH : rot 98:sc= 1.18 USER MOD Single : A 5 LYS NZ :NH3+ 172:sc=-0.00167 (180deg=-0.078) USER MOD Single : A 13 GLN : amide:sc= -1.91 X(o=-1.9,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0.964 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.589 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.941 USER MOD Single : A 29 SER OG : rot 180:sc= -0.132 USER MOD Single : A 30 ASN : amide:sc=-0.00223 X(o=-0.0022,f=-0.046) USER MOD Single : A 32 GLN : amide:sc= 0.0884 K(o=0.088,f=-6.9!) USER MOD Single : A 36 MET CE :methyl -167:sc= -0.325 (180deg=-0.79) USER MOD Single : A 37 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 87:sc= 0.00452 USER MOD Single : A 47 HIS : no HD1:sc= -2.76! K(o=-2.8!,f=-0.31) USER MOD Single : A 55 THR OG1 : rot -169:sc= -0.805! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 103:sc= 0.491 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0.187 (180deg=0.166) USER MOD Single : A 82 ASN : amide:sc= 0.215 K(o=0.21,f=-3.5!) USER MOD Single : A 83 ASN : amide:sc= -1.2! K(o=-1.2!,f=0.038) USER MOD Single : A 84 ASN : amide:sc= 0.697 K(o=0.7,f=-2.2!) USER MOD Single : A 94 GLN : amide:sc= 1.08 K(o=1.1,f=-6.5!) USER MOD Single : A 101 THR OG1 : rot 170:sc= -0.0969 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= 0.114 K(o=0.11,f=-0.48) USER MOD Single : A 122 MET CE :methyl -170:sc= -4.03 (180deg=-4.22) USER MOD Single : A 125 HIS : no HE2:sc= -0.642 K(o=-0.64,f=-1.6) USER MOD Single : A 128 SER OG : rot 90:sc= 1.03 USER MOD Single : A 130 ASN : amide:sc= -0.607 K(o=-0.61,f=-3.9!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 71:sc= 0.285 USER MOD Single : A 143 GLN : amide:sc= -0.164 K(o=-0.16,f=-3.3!) USER MOD Single : A 144 GLN : amide:sc= 0.519 K(o=0.52,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 3 6.176 -4.179 18.080 1.00 1.30 N ATOM 45 CA VAL A 3 7.192 -3.746 17.117 1.00 11.42 C ATOM 46 C VAL A 3 7.369 -4.803 16.009 1.00 4.12 C ATOM 47 O VAL A 3 8.147 -5.752 16.147 1.00 64.00 O ATOM 48 CB VAL A 3 8.551 -3.474 17.816 1.00 42.22 C ATOM 49 CG1 VAL A 3 9.615 -3.045 16.805 1.00 5.04 C ATOM 50 CG2 VAL A 3 8.390 -2.420 18.912 1.00 13.30 C ATOM 0 HA VAL A 3 6.849 -2.814 16.668 1.00 11.42 H new ATOM 0 HB VAL A 3 8.884 -4.403 18.278 1.00 42.22 H new ATOM 0 HG11 VAL A 3 10.556 -2.861 17.323 1.00 5.04 H new ATOM 0 HG12 VAL A 3 9.755 -3.835 16.067 1.00 5.04 H new ATOM 0 HG13 VAL A 3 9.293 -2.133 16.303 1.00 5.04 H new ATOM 0 HG21 VAL A 3 9.353 -2.243 19.391 1.00 13.30 H new ATOM 0 HG22 VAL A 3 8.027 -1.491 18.473 1.00 13.30 H new ATOM 0 HG23 VAL A 3 7.675 -2.774 19.655 1.00 13.30 H new ATOM 60 N TYR A 4 6.607 -4.650 14.927 1.00 62.34 N ATOM 61 CA TYR A 4 6.625 -5.606 13.816 1.00 14.01 C ATOM 62 C TYR A 4 7.878 -5.466 12.940 1.00 23.31 C ATOM 63 O TYR A 4 8.426 -4.379 12.773 1.00 73.34 O ATOM 64 CB TYR A 4 5.361 -5.452 12.954 1.00 73.04 C ATOM 65 CG TYR A 4 4.169 -6.243 13.464 1.00 20.04 C ATOM 66 CD1 TYR A 4 3.268 -5.694 14.370 1.00 53.51 C ATOM 67 CD2 TYR A 4 3.956 -7.550 13.039 1.00 14.10 C ATOM 68 CE1 TYR A 4 2.191 -6.427 14.837 1.00 34.44 C ATOM 69 CE2 TYR A 4 2.881 -8.284 13.499 1.00 25.15 C ATOM 70 CZ TYR A 4 2.003 -7.721 14.397 1.00 42.24 C ATOM 71 OH TYR A 4 0.942 -8.460 14.865 1.00 0.33 O ATOM 0 H TYR A 4 5.965 -3.869 14.794 1.00 62.34 H new ATOM 0 HA TYR A 4 6.646 -6.603 14.257 1.00 14.01 H new ATOM 0 HB2 TYR A 4 5.091 -4.397 12.907 1.00 73.04 H new ATOM 0 HB3 TYR A 4 5.586 -5.769 11.936 1.00 73.04 H new ATOM 0 HD1 TYR A 4 3.411 -4.680 14.714 1.00 53.51 H new ATOM 0 HD2 TYR A 4 4.643 -7.998 12.337 1.00 14.10 H new ATOM 0 HE1 TYR A 4 1.501 -5.988 15.542 1.00 34.44 H new ATOM 0 HE2 TYR A 4 2.730 -9.297 13.155 1.00 25.15 H new ATOM 0 HH TYR A 4 0.208 -8.424 14.217 1.00 0.33 H new ATOM 81 N LYS A 5 8.312 -6.592 12.383 1.00 41.34 N ATOM 82 CA LYS A 5 9.483 -6.644 11.505 1.00 72.31 C ATOM 83 C LYS A 5 9.133 -7.415 10.213 1.00 41.41 C ATOM 84 O LYS A 5 8.188 -8.207 10.209 1.00 52.41 O ATOM 85 CB LYS A 5 10.655 -7.323 12.248 1.00 41.12 C ATOM 86 CG LYS A 5 11.957 -6.519 12.249 1.00 44.10 C ATOM 87 CD LYS A 5 13.088 -7.277 12.939 1.00 24.12 C ATOM 88 CE LYS A 5 14.401 -6.499 12.917 1.00 11.24 C ATOM 89 NZ LYS A 5 14.310 -5.218 13.671 1.00 33.24 N ATOM 0 H LYS A 5 7.863 -7.497 12.526 1.00 41.34 H new ATOM 0 HA LYS A 5 9.783 -5.632 11.232 1.00 72.31 H new ATOM 0 HB2 LYS A 5 10.356 -7.508 13.280 1.00 41.12 H new ATOM 0 HB3 LYS A 5 10.843 -8.295 11.792 1.00 41.12 H new ATOM 0 HG2 LYS A 5 12.245 -6.291 11.223 1.00 44.10 H new ATOM 0 HG3 LYS A 5 11.796 -5.566 12.754 1.00 44.10 H new ATOM 0 HD2 LYS A 5 12.807 -7.484 13.972 1.00 24.12 H new ATOM 0 HD3 LYS A 5 13.230 -8.240 12.448 1.00 24.12 H new ATOM 0 HE2 LYS A 5 15.193 -7.114 13.344 1.00 11.24 H new ATOM 0 HE3 LYS A 5 14.681 -6.291 11.884 1.00 11.24 H new ATOM 0 HZ1 LYS A 5 15.255 -4.790 13.744 1.00 33.24 H new ATOM 0 HZ2 LYS A 5 13.673 -4.566 13.171 1.00 33.24 H new ATOM 0 HZ3 LYS A 5 13.939 -5.402 14.625 1.00 33.24 H new ATOM 103 N PRO A 6 9.879 -7.209 9.098 1.00 21.21 N ATOM 104 CA PRO A 6 9.592 -7.888 7.814 1.00 14.15 C ATOM 105 C PRO A 6 9.474 -9.419 7.945 1.00 22.42 C ATOM 106 O PRO A 6 8.809 -10.070 7.149 1.00 44.41 O ATOM 107 CB PRO A 6 10.799 -7.512 6.941 1.00 34.32 C ATOM 108 CG PRO A 6 11.275 -6.215 7.501 1.00 40.44 C ATOM 109 CD PRO A 6 11.043 -6.303 8.986 1.00 55.51 C ATOM 0 HA PRO A 6 8.630 -7.579 7.405 1.00 14.15 H new ATOM 0 HB2 PRO A 6 11.577 -8.274 6.989 1.00 34.32 H new ATOM 0 HB3 PRO A 6 10.515 -7.412 5.893 1.00 34.32 H new ATOM 0 HG2 PRO A 6 12.330 -6.056 7.278 1.00 40.44 H new ATOM 0 HG3 PRO A 6 10.728 -5.377 7.068 1.00 40.44 H new ATOM 0 HD2 PRO A 6 11.914 -6.702 9.506 1.00 55.51 H new ATOM 0 HD3 PRO A 6 10.834 -5.325 9.419 1.00 55.51 H new ATOM 117 N GLU A 7 10.131 -9.982 8.954 1.00 21.35 N ATOM 118 CA GLU A 7 10.099 -11.431 9.191 1.00 35.21 C ATOM 119 C GLU A 7 8.918 -11.845 10.091 1.00 20.53 C ATOM 120 O GLU A 7 8.564 -13.023 10.161 1.00 61.42 O ATOM 121 CB GLU A 7 11.414 -11.874 9.835 1.00 31.43 C ATOM 122 CG GLU A 7 11.723 -11.150 11.141 1.00 22.21 C ATOM 123 CD GLU A 7 12.990 -11.660 11.801 1.00 45.41 C ATOM 124 OE1 GLU A 7 14.078 -11.132 11.492 1.00 53.44 O ATOM 125 OE2 GLU A 7 12.901 -12.602 12.617 1.00 4.21 O ATOM 0 H GLU A 7 10.695 -9.460 9.625 1.00 21.35 H new ATOM 0 HA GLU A 7 9.967 -11.921 8.226 1.00 35.21 H new ATOM 0 HB2 GLU A 7 11.374 -12.947 10.024 1.00 31.43 H new ATOM 0 HB3 GLU A 7 12.230 -11.704 9.132 1.00 31.43 H new ATOM 0 HG2 GLU A 7 11.823 -10.082 10.946 1.00 22.21 H new ATOM 0 HG3 GLU A 7 10.885 -11.272 11.827 1.00 22.21 H new ATOM 132 N ASP A 8 8.325 -10.877 10.785 1.00 4.32 N ATOM 133 CA ASP A 8 7.216 -11.146 11.708 1.00 53.40 C ATOM 134 C ASP A 8 5.855 -10.952 11.013 1.00 32.03 C ATOM 135 O ASP A 8 4.849 -11.541 11.415 1.00 5.13 O ATOM 136 CB ASP A 8 7.331 -10.226 12.931 1.00 54.24 C ATOM 137 CG ASP A 8 6.443 -10.668 14.084 1.00 70.45 C ATOM 138 OD1 ASP A 8 6.793 -11.655 14.762 1.00 24.42 O ATOM 139 OD2 ASP A 8 5.395 -10.037 14.320 1.00 61.14 O ATOM 0 H ASP A 8 8.592 -9.894 10.728 1.00 4.32 H new ATOM 0 HA ASP A 8 7.277 -12.185 12.032 1.00 53.40 H new ATOM 0 HB2 ASP A 8 8.368 -10.201 13.265 1.00 54.24 H new ATOM 0 HB3 ASP A 8 7.065 -9.209 12.642 1.00 54.24 H new ATOM 144 N VAL A 9 5.840 -10.130 9.966 1.00 53.41 N ATOM 145 CA VAL A 9 4.616 -9.856 9.197 1.00 21.04 C ATOM 146 C VAL A 9 4.055 -11.135 8.539 1.00 61.01 C ATOM 147 O VAL A 9 4.790 -11.875 7.884 1.00 31.31 O ATOM 148 CB VAL A 9 4.882 -8.793 8.098 1.00 64.21 C ATOM 149 CG1 VAL A 9 3.627 -8.531 7.262 1.00 71.44 C ATOM 150 CG2 VAL A 9 5.402 -7.495 8.716 1.00 50.03 C ATOM 0 H VAL A 9 6.665 -9.636 9.625 1.00 53.41 H new ATOM 0 HA VAL A 9 3.878 -9.476 9.903 1.00 21.04 H new ATOM 0 HB VAL A 9 5.649 -9.188 7.431 1.00 64.21 H new ATOM 0 HG11 VAL A 9 3.846 -7.782 6.501 1.00 71.44 H new ATOM 0 HG12 VAL A 9 3.311 -9.456 6.780 1.00 71.44 H new ATOM 0 HG13 VAL A 9 2.828 -8.168 7.909 1.00 71.44 H new ATOM 0 HG21 VAL A 9 5.582 -6.763 7.928 1.00 50.03 H new ATOM 0 HG22 VAL A 9 4.662 -7.102 9.414 1.00 50.03 H new ATOM 0 HG23 VAL A 9 6.333 -7.692 9.247 1.00 50.03 H new ATOM 160 N PRO A 10 2.743 -11.414 8.716 1.00 54.13 N ATOM 161 CA PRO A 10 2.090 -12.589 8.106 1.00 52.23 C ATOM 162 C PRO A 10 2.303 -12.668 6.584 1.00 1.13 C ATOM 163 O PRO A 10 1.830 -11.814 5.831 1.00 50.34 O ATOM 164 CB PRO A 10 0.604 -12.378 8.433 1.00 61.23 C ATOM 165 CG PRO A 10 0.602 -11.523 9.655 1.00 60.41 C ATOM 166 CD PRO A 10 1.801 -10.621 9.530 1.00 44.13 C ATOM 0 HA PRO A 10 2.499 -13.523 8.490 1.00 52.23 H new ATOM 0 HB2 PRO A 10 0.083 -11.892 7.609 1.00 61.23 H new ATOM 0 HB3 PRO A 10 0.100 -13.327 8.613 1.00 61.23 H new ATOM 0 HG2 PRO A 10 -0.318 -10.942 9.724 1.00 60.41 H new ATOM 0 HG3 PRO A 10 0.663 -12.131 10.557 1.00 60.41 H new ATOM 0 HD2 PRO A 10 1.546 -9.679 9.045 1.00 44.13 H new ATOM 0 HD3 PRO A 10 2.222 -10.374 10.505 1.00 44.13 H new ATOM 174 N ASN A 11 3.020 -13.698 6.136 1.00 61.15 N ATOM 175 CA ASN A 11 3.325 -13.868 4.713 1.00 25.03 C ATOM 176 C ASN A 11 2.075 -14.268 3.916 1.00 70.44 C ATOM 177 O ASN A 11 1.895 -15.439 3.564 1.00 40.44 O ATOM 178 CB ASN A 11 4.418 -14.925 4.516 1.00 1.33 C ATOM 179 CG ASN A 11 5.638 -14.680 5.376 1.00 21.25 C ATOM 180 OD1 ASN A 11 6.554 -13.965 4.990 1.00 31.11 O ATOM 181 ND2 ASN A 11 5.675 -15.296 6.539 1.00 3.43 N ATOM 0 H ASN A 11 3.401 -14.428 6.737 1.00 61.15 H new ATOM 0 HA ASN A 11 3.681 -12.908 4.340 1.00 25.03 H new ATOM 0 HB2 ASN A 11 4.010 -15.909 4.746 1.00 1.33 H new ATOM 0 HB3 ASN A 11 4.716 -14.941 3.468 1.00 1.33 H new ATOM 0 HD21 ASN A 11 6.485 -15.185 7.149 1.00 3.43 H new ATOM 0 HD22 ASN A 11 4.894 -15.884 6.830 1.00 3.43 H new ATOM 188 N VAL A 12 1.204 -13.304 3.643 1.00 23.51 N ATOM 189 CA VAL A 12 -0.014 -13.579 2.875 1.00 4.24 C ATOM 190 C VAL A 12 0.314 -14.054 1.452 1.00 62.24 C ATOM 191 O VAL A 12 -0.246 -15.034 0.978 1.00 45.22 O ATOM 192 CB VAL A 12 -0.959 -12.351 2.818 1.00 42.24 C ATOM 193 CG1 VAL A 12 -1.547 -12.069 4.201 1.00 64.11 C ATOM 194 CG2 VAL A 12 -0.233 -11.120 2.267 1.00 41.42 C ATOM 0 H VAL A 12 1.312 -12.333 3.936 1.00 23.51 H new ATOM 0 HA VAL A 12 -0.534 -14.380 3.400 1.00 4.24 H new ATOM 0 HB VAL A 12 -1.778 -12.581 2.137 1.00 42.24 H new ATOM 0 HG11 VAL A 12 -2.208 -11.204 4.146 1.00 64.11 H new ATOM 0 HG12 VAL A 12 -2.112 -12.937 4.540 1.00 64.11 H new ATOM 0 HG13 VAL A 12 -0.740 -11.864 4.905 1.00 64.11 H new ATOM 0 HG21 VAL A 12 -0.920 -10.275 2.239 1.00 41.42 H new ATOM 0 HG22 VAL A 12 0.613 -10.878 2.910 1.00 41.42 H new ATOM 0 HG23 VAL A 12 0.126 -11.330 1.259 1.00 41.42 H new ATOM 204 N GLN A 13 1.257 -13.384 0.793 1.00 22.22 N ATOM 205 CA GLN A 13 1.662 -13.757 -0.571 1.00 40.42 C ATOM 206 C GLN A 13 2.308 -15.153 -0.616 1.00 23.14 C ATOM 207 O GLN A 13 2.459 -15.749 -1.683 1.00 2.34 O ATOM 208 CB GLN A 13 2.614 -12.699 -1.147 1.00 42.31 C ATOM 209 CG GLN A 13 1.968 -11.323 -1.302 1.00 61.23 C ATOM 210 CD GLN A 13 0.745 -11.339 -2.206 1.00 33.25 C ATOM 211 OE1 GLN A 13 0.656 -12.129 -3.138 1.00 73.22 O ATOM 212 NE2 GLN A 13 -0.211 -10.476 -1.929 1.00 34.41 N ATOM 0 H GLN A 13 1.757 -12.581 1.176 1.00 22.22 H new ATOM 0 HA GLN A 13 0.763 -13.799 -1.186 1.00 40.42 H new ATOM 0 HB2 GLN A 13 3.485 -12.612 -0.498 1.00 42.31 H new ATOM 0 HB3 GLN A 13 2.974 -13.035 -2.119 1.00 42.31 H new ATOM 0 HG2 GLN A 13 1.681 -10.949 -0.319 1.00 61.23 H new ATOM 0 HG3 GLN A 13 2.703 -10.626 -1.706 1.00 61.23 H new ATOM 0 HE21 GLN A 13 -0.105 -9.832 -1.145 1.00 34.41 H new ATOM 0 HE22 GLN A 13 -1.057 -10.452 -2.498 1.00 34.41 H new ATOM 221 N LEU A 14 2.684 -15.669 0.553 1.00 65.12 N ATOM 222 CA LEU A 14 3.230 -17.025 0.673 1.00 40.02 C ATOM 223 C LEU A 14 2.084 -18.041 0.855 1.00 4.34 C ATOM 224 O LEU A 14 2.017 -19.053 0.157 1.00 64.44 O ATOM 225 CB LEU A 14 4.205 -17.082 1.869 1.00 1.43 C ATOM 226 CG LEU A 14 5.287 -18.186 1.840 1.00 62.34 C ATOM 227 CD1 LEU A 14 6.251 -18.021 3.013 1.00 35.43 C ATOM 228 CD2 LEU A 14 4.673 -19.587 1.855 1.00 3.24 C ATOM 0 H LEU A 14 2.621 -15.166 1.438 1.00 65.12 H new ATOM 0 HA LEU A 14 3.773 -17.282 -0.237 1.00 40.02 H new ATOM 0 HB2 LEU A 14 4.707 -16.117 1.943 1.00 1.43 H new ATOM 0 HB3 LEU A 14 3.618 -17.207 2.779 1.00 1.43 H new ATOM 0 HG LEU A 14 5.838 -18.076 0.906 1.00 62.34 H new ATOM 0 HD11 LEU A 14 7.006 -18.806 2.977 1.00 35.43 H new ATOM 0 HD12 LEU A 14 6.737 -17.047 2.950 1.00 35.43 H new ATOM 0 HD13 LEU A 14 5.699 -18.091 3.950 1.00 35.43 H new ATOM 0 HD21 LEU A 14 5.468 -20.333 1.834 1.00 3.24 H new ATOM 0 HD22 LEU A 14 4.080 -19.715 2.760 1.00 3.24 H new ATOM 0 HD23 LEU A 14 4.033 -19.713 0.981 1.00 3.24 H new ATOM 240 N ALA A 15 1.181 -17.754 1.795 1.00 24.22 N ATOM 241 CA ALA A 15 0.071 -18.662 2.118 1.00 72.41 C ATOM 242 C ALA A 15 -1.191 -18.358 1.287 1.00 70.32 C ATOM 243 O ALA A 15 -1.524 -19.092 0.353 1.00 51.32 O ATOM 244 CB ALA A 15 -0.240 -18.594 3.610 1.00 73.53 C ATOM 0 H ALA A 15 1.194 -16.898 2.349 1.00 24.22 H new ATOM 0 HA ALA A 15 0.386 -19.673 1.860 1.00 72.41 H new ATOM 0 HB1 ALA A 15 -1.064 -19.270 3.841 1.00 73.53 H new ATOM 0 HB2 ALA A 15 0.642 -18.889 4.179 1.00 73.53 H new ATOM 0 HB3 ALA A 15 -0.521 -17.575 3.877 1.00 73.53 H new ATOM 250 N ASP A 16 -1.893 -17.279 1.634 1.00 52.13 N ATOM 251 CA ASP A 16 -3.115 -16.871 0.929 1.00 0.30 C ATOM 252 C ASP A 16 -2.881 -15.588 0.101 1.00 12.20 C ATOM 253 O ASP A 16 -3.207 -14.476 0.528 1.00 42.13 O ATOM 254 CB ASP A 16 -4.274 -16.698 1.932 1.00 33.22 C ATOM 255 CG ASP A 16 -3.895 -15.882 3.165 1.00 34.45 C ATOM 256 OD1 ASP A 16 -2.932 -16.263 3.867 1.00 33.41 O ATOM 257 OD2 ASP A 16 -4.582 -14.882 3.461 1.00 43.43 O ATOM 0 H ASP A 16 -1.635 -16.665 2.406 1.00 52.13 H new ATOM 0 HA ASP A 16 -3.390 -17.657 0.226 1.00 0.30 H new ATOM 0 HB2 ASP A 16 -5.111 -16.214 1.428 1.00 33.22 H new ATOM 0 HB3 ASP A 16 -4.619 -17.682 2.249 1.00 33.22 H new ATOM 262 N SER A 17 -2.305 -15.760 -1.092 1.00 5.51 N ATOM 263 CA SER A 17 -1.882 -14.625 -1.930 1.00 14.43 C ATOM 264 C SER A 17 -3.073 -13.899 -2.560 1.00 2.23 C ATOM 265 O SER A 17 -3.007 -12.698 -2.815 1.00 11.45 O ATOM 266 CB SER A 17 -0.940 -15.099 -3.046 1.00 2.40 C ATOM 267 OG SER A 17 -1.647 -15.823 -4.042 1.00 42.12 O ATOM 0 H SER A 17 -2.119 -16.675 -1.503 1.00 5.51 H new ATOM 0 HA SER A 17 -1.361 -13.928 -1.274 1.00 14.43 H new ATOM 0 HB2 SER A 17 -0.447 -14.239 -3.499 1.00 2.40 H new ATOM 0 HB3 SER A 17 -0.157 -15.728 -2.622 1.00 2.40 H new ATOM 0 HG SER A 17 -1.024 -16.111 -4.741 1.00 42.12 H new ATOM 273 N THR A 18 -4.155 -14.632 -2.816 1.00 55.55 N ATOM 274 CA THR A 18 -5.355 -14.063 -3.449 1.00 20.42 C ATOM 275 C THR A 18 -6.032 -13.011 -2.551 1.00 62.14 C ATOM 276 O THR A 18 -6.861 -12.225 -3.011 1.00 40.52 O ATOM 277 CB THR A 18 -6.377 -15.174 -3.807 1.00 12.21 C ATOM 278 OG1 THR A 18 -5.741 -16.190 -4.606 1.00 23.03 O ATOM 279 CG2 THR A 18 -7.571 -14.614 -4.577 1.00 22.42 C ATOM 0 H THR A 18 -4.230 -15.625 -2.596 1.00 55.55 H new ATOM 0 HA THR A 18 -5.024 -13.572 -4.364 1.00 20.42 H new ATOM 0 HB THR A 18 -6.737 -15.601 -2.871 1.00 12.21 H new ATOM 0 HG1 THR A 18 -6.392 -16.888 -4.826 1.00 23.03 H new ATOM 0 HG21 THR A 18 -8.265 -15.422 -4.810 1.00 22.42 H new ATOM 0 HG22 THR A 18 -8.077 -13.865 -3.968 1.00 22.42 H new ATOM 0 HG23 THR A 18 -7.224 -14.155 -5.503 1.00 22.42 H new ATOM 287 N ARG A 19 -5.667 -12.996 -1.270 1.00 61.31 N ATOM 288 CA ARG A 19 -6.204 -12.020 -0.319 1.00 44.12 C ATOM 289 C ARG A 19 -5.562 -10.635 -0.530 1.00 21.31 C ATOM 290 O ARG A 19 -6.264 -9.636 -0.692 1.00 12.14 O ATOM 291 CB ARG A 19 -5.964 -12.510 1.116 1.00 4.12 C ATOM 292 CG ARG A 19 -6.663 -11.681 2.189 1.00 5.30 C ATOM 293 CD ARG A 19 -6.463 -12.286 3.576 1.00 73.11 C ATOM 294 NE ARG A 19 -7.278 -11.626 4.594 1.00 30.34 N ATOM 295 CZ ARG A 19 -8.267 -12.200 5.237 1.00 65.12 C ATOM 296 NH1 ARG A 19 -8.603 -13.426 4.977 1.00 13.53 N ATOM 297 NH2 ARG A 19 -8.909 -11.543 6.148 1.00 65.35 N ATOM 0 H ARG A 19 -4.999 -13.651 -0.864 1.00 61.31 H new ATOM 0 HA ARG A 19 -7.276 -11.921 -0.488 1.00 44.12 H new ATOM 0 HB2 ARG A 19 -6.301 -13.544 1.195 1.00 4.12 H new ATOM 0 HB3 ARG A 19 -4.892 -12.508 1.313 1.00 4.12 H new ATOM 0 HG2 ARG A 19 -6.275 -10.663 2.175 1.00 5.30 H new ATOM 0 HG3 ARG A 19 -7.728 -11.619 1.967 1.00 5.30 H new ATOM 0 HD2 ARG A 19 -6.712 -13.347 3.546 1.00 73.11 H new ATOM 0 HD3 ARG A 19 -5.411 -12.213 3.853 1.00 73.11 H new ATOM 0 HE ARG A 19 -7.064 -10.655 4.819 1.00 30.34 H new ATOM 0 HH11 ARG A 19 -8.096 -13.954 4.266 1.00 13.53 H new ATOM 0 HH12 ARG A 19 -9.374 -13.862 5.483 1.00 13.53 H new ATOM 0 HH21 ARG A 19 -8.646 -10.582 6.364 1.00 65.35 H new ATOM 0 HH22 ARG A 19 -9.678 -11.986 6.650 1.00 65.35 H new ATOM 311 N LEU A 20 -4.223 -10.589 -0.477 1.00 45.44 N ATOM 312 CA LEU A 20 -3.431 -9.368 -0.762 1.00 22.13 C ATOM 313 C LEU A 20 -3.540 -8.314 0.360 1.00 63.05 C ATOM 314 O LEU A 20 -2.636 -7.498 0.551 1.00 64.54 O ATOM 315 CB LEU A 20 -3.838 -8.756 -2.117 1.00 44.12 C ATOM 316 CG LEU A 20 -3.566 -9.646 -3.354 1.00 13.33 C ATOM 317 CD1 LEU A 20 -4.823 -9.793 -4.212 1.00 25.14 C ATOM 318 CD2 LEU A 20 -2.411 -9.091 -4.187 1.00 72.14 C ATOM 0 H LEU A 20 -3.650 -11.397 -0.235 1.00 45.44 H new ATOM 0 HA LEU A 20 -2.387 -9.677 -0.810 1.00 22.13 H new ATOM 0 HB2 LEU A 20 -4.902 -8.521 -2.086 1.00 44.12 H new ATOM 0 HB3 LEU A 20 -3.307 -7.813 -2.245 1.00 44.12 H new ATOM 0 HG LEU A 20 -3.282 -10.635 -2.993 1.00 13.33 H new ATOM 0 HD11 LEU A 20 -4.603 -10.423 -5.074 1.00 25.14 H new ATOM 0 HD12 LEU A 20 -5.616 -10.251 -3.620 1.00 25.14 H new ATOM 0 HD13 LEU A 20 -5.147 -8.810 -4.554 1.00 25.14 H new ATOM 0 HD21 LEU A 20 -2.242 -9.736 -5.049 1.00 72.14 H new ATOM 0 HD22 LEU A 20 -2.659 -8.086 -4.528 1.00 72.14 H new ATOM 0 HD23 LEU A 20 -1.508 -9.055 -3.578 1.00 72.14 H new ATOM 330 N VAL A 21 -4.649 -8.338 1.088 1.00 45.34 N ATOM 331 CA VAL A 21 -4.870 -7.449 2.229 1.00 52.43 C ATOM 332 C VAL A 21 -4.286 -8.046 3.520 1.00 2.52 C ATOM 333 O VAL A 21 -4.364 -9.255 3.747 1.00 50.21 O ATOM 334 CB VAL A 21 -6.386 -7.215 2.431 1.00 65.21 C ATOM 335 CG1 VAL A 21 -6.652 -6.286 3.617 1.00 43.24 C ATOM 336 CG2 VAL A 21 -7.024 -6.670 1.154 1.00 32.42 C ATOM 0 H VAL A 21 -5.425 -8.975 0.906 1.00 45.34 H new ATOM 0 HA VAL A 21 -4.368 -6.505 2.016 1.00 52.43 H new ATOM 0 HB VAL A 21 -6.846 -8.177 2.657 1.00 65.21 H new ATOM 0 HG11 VAL A 21 -7.726 -6.142 3.732 1.00 43.24 H new ATOM 0 HG12 VAL A 21 -6.246 -6.731 4.526 1.00 43.24 H new ATOM 0 HG13 VAL A 21 -6.174 -5.323 3.439 1.00 43.24 H new ATOM 0 HG21 VAL A 21 -8.090 -6.513 1.318 1.00 32.42 H new ATOM 0 HG22 VAL A 21 -6.554 -5.723 0.888 1.00 32.42 H new ATOM 0 HG23 VAL A 21 -6.883 -7.385 0.343 1.00 32.42 H new ATOM 346 N THR A 22 -3.691 -7.198 4.359 1.00 70.32 N ATOM 347 CA THR A 22 -3.157 -7.637 5.658 1.00 34.14 C ATOM 348 C THR A 22 -3.279 -6.530 6.714 1.00 53.53 C ATOM 349 O THR A 22 -2.519 -5.561 6.697 1.00 0.40 O ATOM 350 CB THR A 22 -1.671 -8.063 5.551 1.00 72.10 C ATOM 351 OG1 THR A 22 -1.525 -9.105 4.576 1.00 61.54 O ATOM 352 CG2 THR A 22 -1.130 -8.548 6.895 1.00 21.44 C ATOM 0 H THR A 22 -3.564 -6.204 4.167 1.00 70.32 H new ATOM 0 HA THR A 22 -3.754 -8.497 5.963 1.00 34.14 H new ATOM 0 HB THR A 22 -1.098 -7.188 5.245 1.00 72.10 H new ATOM 0 HG1 THR A 22 -0.582 -9.366 4.515 1.00 61.54 H new ATOM 0 HG21 THR A 22 -0.085 -8.839 6.783 1.00 21.44 H new ATOM 0 HG22 THR A 22 -1.207 -7.746 7.629 1.00 21.44 H new ATOM 0 HG23 THR A 22 -1.711 -9.406 7.233 1.00 21.44 H new ATOM 360 N ASP A 23 -4.236 -6.673 7.628 1.00 41.43 N ATOM 361 CA ASP A 23 -4.451 -5.674 8.677 1.00 31.12 C ATOM 362 C ASP A 23 -3.974 -6.177 10.054 1.00 54.42 C ATOM 363 O ASP A 23 -4.570 -7.082 10.645 1.00 21.12 O ATOM 364 CB ASP A 23 -5.933 -5.282 8.742 1.00 74.32 C ATOM 365 CG ASP A 23 -6.201 -4.228 9.803 1.00 25.22 C ATOM 366 OD1 ASP A 23 -5.826 -3.054 9.594 1.00 25.31 O ATOM 367 OD2 ASP A 23 -6.769 -4.569 10.860 1.00 24.02 O ATOM 0 H ASP A 23 -4.874 -7.468 7.665 1.00 41.43 H new ATOM 0 HA ASP A 23 -3.857 -4.796 8.421 1.00 31.12 H new ATOM 0 HB2 ASP A 23 -6.251 -4.905 7.770 1.00 74.32 H new ATOM 0 HB3 ASP A 23 -6.533 -6.168 8.952 1.00 74.32 H new ATOM 372 N GLU A 24 -2.885 -5.592 10.549 1.00 41.32 N ATOM 373 CA GLU A 24 -2.394 -5.868 11.907 1.00 45.42 C ATOM 374 C GLU A 24 -2.617 -4.654 12.819 1.00 42.24 C ATOM 375 O GLU A 24 -2.975 -4.796 13.991 1.00 11.24 O ATOM 376 CB GLU A 24 -0.902 -6.239 11.883 1.00 73.31 C ATOM 377 CG GLU A 24 -0.604 -7.599 11.253 1.00 63.42 C ATOM 378 CD GLU A 24 -1.239 -8.761 12.012 1.00 70.54 C ATOM 379 OE1 GLU A 24 -1.284 -8.713 13.258 1.00 32.31 O ATOM 380 OE2 GLU A 24 -1.688 -9.732 11.365 1.00 50.13 O ATOM 0 H GLU A 24 -2.320 -4.920 10.030 1.00 41.32 H new ATOM 0 HA GLU A 24 -2.957 -6.713 12.303 1.00 45.42 H new ATOM 0 HB2 GLU A 24 -0.357 -5.470 11.335 1.00 73.31 H new ATOM 0 HB3 GLU A 24 -0.521 -6.233 12.904 1.00 73.31 H new ATOM 0 HG2 GLU A 24 -0.965 -7.604 10.225 1.00 63.42 H new ATOM 0 HG3 GLU A 24 0.475 -7.746 11.212 1.00 63.42 H new ATOM 387 N ALA A 25 -2.396 -3.456 12.267 1.00 44.20 N ATOM 388 CA ALA A 25 -2.631 -2.195 12.989 1.00 20.35 C ATOM 389 C ALA A 25 -4.062 -2.083 13.548 1.00 34.51 C ATOM 390 O ALA A 25 -4.304 -1.337 14.499 1.00 73.42 O ATOM 391 CB ALA A 25 -2.337 -1.009 12.076 1.00 63.13 C ATOM 0 H ALA A 25 -2.052 -3.330 11.315 1.00 44.20 H new ATOM 0 HA ALA A 25 -1.953 -2.187 13.843 1.00 20.35 H new ATOM 0 HB1 ALA A 25 -2.513 -0.080 12.618 1.00 63.13 H new ATOM 0 HB2 ALA A 25 -1.297 -1.048 11.752 1.00 63.13 H new ATOM 0 HB3 ALA A 25 -2.990 -1.050 11.204 1.00 63.13 H new ATOM 397 N GLY A 26 -5.003 -2.816 12.956 1.00 13.15 N ATOM 398 CA GLY A 26 -6.386 -2.778 13.423 1.00 61.42 C ATOM 399 C GLY A 26 -7.153 -1.572 12.893 1.00 24.13 C ATOM 400 O GLY A 26 -7.873 -0.902 13.638 1.00 72.02 O ATOM 0 H GLY A 26 -4.836 -3.435 12.163 1.00 13.15 H new ATOM 0 HA2 GLY A 26 -6.895 -3.691 13.114 1.00 61.42 H new ATOM 0 HA3 GLY A 26 -6.397 -2.760 14.513 1.00 61.42 H new ATOM 404 N LEU A 27 -7.003 -1.306 11.599 1.00 21.44 N ATOM 405 CA LEU A 27 -7.606 -0.129 10.960 1.00 62.11 C ATOM 406 C LEU A 27 -8.616 -0.532 9.871 1.00 5.21 C ATOM 407 O LEU A 27 -9.695 0.057 9.756 1.00 74.23 O ATOM 408 CB LEU A 27 -6.502 0.749 10.355 1.00 74.23 C ATOM 409 CG LEU A 27 -5.431 1.230 11.352 1.00 63.30 C ATOM 410 CD1 LEU A 27 -4.288 1.933 10.627 1.00 42.21 C ATOM 411 CD2 LEU A 27 -6.050 2.150 12.404 1.00 75.43 C ATOM 0 H LEU A 27 -6.464 -1.893 10.962 1.00 21.44 H new ATOM 0 HA LEU A 27 -8.147 0.432 11.722 1.00 62.11 H new ATOM 0 HB2 LEU A 27 -6.010 0.190 9.559 1.00 74.23 H new ATOM 0 HB3 LEU A 27 -6.965 1.621 9.894 1.00 74.23 H new ATOM 0 HG LEU A 27 -5.022 0.355 11.858 1.00 63.30 H new ATOM 0 HD11 LEU A 27 -3.545 2.263 11.353 1.00 42.21 H new ATOM 0 HD12 LEU A 27 -3.825 1.242 9.922 1.00 42.21 H new ATOM 0 HD13 LEU A 27 -4.676 2.797 10.087 1.00 42.21 H new ATOM 0 HD21 LEU A 27 -5.278 2.479 13.099 1.00 75.43 H new ATOM 0 HD22 LEU A 27 -6.491 3.018 11.914 1.00 75.43 H new ATOM 0 HD23 LEU A 27 -6.823 1.610 12.950 1.00 75.43 H new ATOM 423 N LEU A 28 -8.260 -1.535 9.071 1.00 54.42 N ATOM 424 CA LEU A 28 -9.123 -2.012 7.985 1.00 14.24 C ATOM 425 C LEU A 28 -10.165 -3.020 8.497 1.00 20.24 C ATOM 426 O LEU A 28 -9.840 -4.169 8.788 1.00 3.52 O ATOM 427 CB LEU A 28 -8.275 -2.661 6.878 1.00 53.45 C ATOM 428 CG LEU A 28 -7.254 -1.735 6.195 1.00 15.41 C ATOM 429 CD1 LEU A 28 -6.404 -2.510 5.191 1.00 74.25 C ATOM 430 CD2 LEU A 28 -7.960 -0.565 5.511 1.00 23.12 C ATOM 0 H LEU A 28 -7.376 -2.037 9.153 1.00 54.42 H new ATOM 0 HA LEU A 28 -9.652 -1.150 7.580 1.00 14.24 H new ATOM 0 HB2 LEU A 28 -7.741 -3.510 7.305 1.00 53.45 H new ATOM 0 HB3 LEU A 28 -8.946 -3.057 6.116 1.00 53.45 H new ATOM 0 HG LEU A 28 -6.593 -1.335 6.964 1.00 15.41 H new ATOM 0 HD11 LEU A 28 -5.690 -1.834 4.721 1.00 74.25 H new ATOM 0 HD12 LEU A 28 -5.866 -3.305 5.707 1.00 74.25 H new ATOM 0 HD13 LEU A 28 -7.049 -2.945 4.427 1.00 74.25 H new ATOM 0 HD21 LEU A 28 -7.220 0.078 5.034 1.00 23.12 H new ATOM 0 HD22 LEU A 28 -8.649 -0.946 4.757 1.00 23.12 H new ATOM 0 HD23 LEU A 28 -8.515 0.009 6.253 1.00 23.12 H new ATOM 442 N SER A 29 -11.414 -2.577 8.623 1.00 63.15 N ATOM 443 CA SER A 29 -12.517 -3.474 9.012 1.00 71.13 C ATOM 444 C SER A 29 -12.913 -4.399 7.850 1.00 13.32 C ATOM 445 O SER A 29 -12.559 -4.144 6.702 1.00 23.24 O ATOM 446 CB SER A 29 -13.735 -2.663 9.473 1.00 35.32 C ATOM 447 OG SER A 29 -14.824 -3.508 9.814 1.00 32.11 O ATOM 0 H SER A 29 -11.694 -1.609 8.464 1.00 63.15 H new ATOM 0 HA SER A 29 -12.168 -4.090 9.840 1.00 71.13 H new ATOM 0 HB2 SER A 29 -13.463 -2.053 10.334 1.00 35.32 H new ATOM 0 HB3 SER A 29 -14.038 -1.978 8.681 1.00 35.32 H new ATOM 0 HG SER A 29 -15.583 -2.961 10.105 1.00 32.11 H new ATOM 453 N ASN A 30 -13.673 -5.454 8.149 1.00 62.12 N ATOM 454 CA ASN A 30 -14.015 -6.484 7.150 1.00 75.11 C ATOM 455 C ASN A 30 -14.574 -5.892 5.841 1.00 53.15 C ATOM 456 O ASN A 30 -14.042 -6.152 4.759 1.00 55.45 O ATOM 457 CB ASN A 30 -15.011 -7.483 7.744 1.00 62.32 C ATOM 458 CG ASN A 30 -14.412 -8.260 8.899 1.00 51.14 C ATOM 459 OD1 ASN A 30 -14.512 -7.857 10.054 1.00 35.30 O ATOM 460 ND2 ASN A 30 -13.766 -9.366 8.598 1.00 41.44 N ATOM 0 H ASN A 30 -14.067 -5.623 9.075 1.00 62.12 H new ATOM 0 HA ASN A 30 -13.087 -6.994 6.893 1.00 75.11 H new ATOM 0 HB2 ASN A 30 -15.899 -6.951 8.086 1.00 62.32 H new ATOM 0 HB3 ASN A 30 -15.335 -8.177 6.969 1.00 62.32 H new ATOM 0 HD21 ASN A 30 -13.329 -9.918 9.336 1.00 41.44 H new ATOM 0 HD22 ASN A 30 -13.703 -9.671 7.627 1.00 41.44 H new ATOM 467 N ALA A 31 -15.637 -5.097 5.946 1.00 54.14 N ATOM 468 CA ALA A 31 -16.238 -4.441 4.776 1.00 11.03 C ATOM 469 C ALA A 31 -15.230 -3.532 4.045 1.00 25.54 C ATOM 470 O ALA A 31 -15.294 -3.370 2.829 1.00 0.10 O ATOM 471 CB ALA A 31 -17.474 -3.648 5.192 1.00 22.43 C ATOM 0 H ALA A 31 -16.104 -4.888 6.829 1.00 54.14 H new ATOM 0 HA ALA A 31 -16.536 -5.222 4.076 1.00 11.03 H new ATOM 0 HB1 ALA A 31 -17.910 -3.167 4.316 1.00 22.43 H new ATOM 0 HB2 ALA A 31 -18.206 -4.322 5.637 1.00 22.43 H new ATOM 0 HB3 ALA A 31 -17.191 -2.888 5.920 1.00 22.43 H new ATOM 477 N GLN A 32 -14.297 -2.946 4.786 1.00 32.30 N ATOM 478 CA GLN A 32 -13.245 -2.125 4.181 1.00 33.34 C ATOM 479 C GLN A 32 -12.207 -3.011 3.469 1.00 20.32 C ATOM 480 O GLN A 32 -11.650 -2.633 2.434 1.00 0.11 O ATOM 481 CB GLN A 32 -12.568 -1.257 5.251 1.00 63.44 C ATOM 482 CG GLN A 32 -13.533 -0.316 5.966 1.00 14.45 C ATOM 483 CD GLN A 32 -12.869 0.493 7.067 1.00 61.33 C ATOM 484 OE1 GLN A 32 -12.801 0.064 8.215 1.00 33.44 O ATOM 485 NE2 GLN A 32 -12.383 1.669 6.731 1.00 51.20 N ATOM 0 H GLN A 32 -14.244 -3.021 5.802 1.00 32.30 H new ATOM 0 HA GLN A 32 -13.701 -1.470 3.438 1.00 33.34 H new ATOM 0 HB2 GLN A 32 -12.092 -1.905 5.987 1.00 63.44 H new ATOM 0 HB3 GLN A 32 -11.777 -0.669 4.785 1.00 63.44 H new ATOM 0 HG2 GLN A 32 -13.974 0.365 5.238 1.00 14.45 H new ATOM 0 HG3 GLN A 32 -14.350 -0.898 6.393 1.00 14.45 H new ATOM 0 HE21 GLN A 32 -12.457 1.995 5.767 1.00 51.20 H new ATOM 0 HE22 GLN A 32 -11.933 2.255 7.434 1.00 51.20 H new ATOM 494 N GLU A 33 -11.969 -4.203 4.020 1.00 10.12 N ATOM 495 CA GLU A 33 -11.038 -5.162 3.422 1.00 45.44 C ATOM 496 C GLU A 33 -11.588 -5.729 2.112 1.00 2.51 C ATOM 497 O GLU A 33 -10.850 -5.880 1.151 1.00 0.25 O ATOM 498 CB GLU A 33 -10.743 -6.321 4.382 1.00 71.44 C ATOM 499 CG GLU A 33 -10.085 -5.903 5.687 1.00 71.54 C ATOM 500 CD GLU A 33 -9.764 -7.091 6.579 1.00 31.40 C ATOM 501 OE1 GLU A 33 -10.709 -7.717 7.109 1.00 42.44 O ATOM 502 OE2 GLU A 33 -8.576 -7.410 6.753 1.00 11.32 O ATOM 0 H GLU A 33 -12.409 -4.528 4.881 1.00 10.12 H new ATOM 0 HA GLU A 33 -10.115 -4.620 3.217 1.00 45.44 H new ATOM 0 HB2 GLU A 33 -11.677 -6.836 4.609 1.00 71.44 H new ATOM 0 HB3 GLU A 33 -10.097 -7.039 3.877 1.00 71.44 H new ATOM 0 HG2 GLU A 33 -9.167 -5.357 5.470 1.00 71.54 H new ATOM 0 HG3 GLU A 33 -10.745 -5.219 6.221 1.00 71.54 H new ATOM 509 N GLU A 34 -12.885 -6.046 2.084 1.00 0.34 N ATOM 510 CA GLU A 34 -13.507 -6.649 0.893 1.00 43.13 C ATOM 511 C GLU A 34 -13.490 -5.691 -0.315 1.00 71.05 C ATOM 512 O GLU A 34 -13.261 -6.118 -1.448 1.00 13.23 O ATOM 513 CB GLU A 34 -14.942 -7.103 1.195 1.00 40.01 C ATOM 514 CG GLU A 34 -15.890 -5.975 1.558 1.00 13.45 C ATOM 515 CD GLU A 34 -17.327 -6.439 1.724 1.00 50.12 C ATOM 516 OE1 GLU A 34 -17.608 -7.185 2.684 1.00 22.14 O ATOM 517 OE2 GLU A 34 -18.178 -6.071 0.885 1.00 65.33 O ATOM 0 H GLU A 34 -13.525 -5.898 2.865 1.00 0.34 H new ATOM 0 HA GLU A 34 -12.911 -7.523 0.629 1.00 43.13 H new ATOM 0 HB2 GLU A 34 -15.336 -7.627 0.324 1.00 40.01 H new ATOM 0 HB3 GLU A 34 -14.919 -7.821 2.015 1.00 40.01 H new ATOM 0 HG2 GLU A 34 -15.555 -5.510 2.485 1.00 13.45 H new ATOM 0 HG3 GLU A 34 -15.848 -5.209 0.784 1.00 13.45 H new ATOM 524 N VAL A 35 -13.722 -4.399 -0.069 1.00 34.31 N ATOM 525 CA VAL A 35 -13.629 -3.384 -1.128 1.00 23.13 C ATOM 526 C VAL A 35 -12.203 -3.326 -1.703 1.00 32.13 C ATOM 527 O VAL A 35 -12.001 -3.366 -2.919 1.00 31.41 O ATOM 528 CB VAL A 35 -14.029 -1.981 -0.601 1.00 11.42 C ATOM 529 CG1 VAL A 35 -13.883 -0.919 -1.692 1.00 22.44 C ATOM 530 CG2 VAL A 35 -15.456 -2.002 -0.049 1.00 1.44 C ATOM 0 H VAL A 35 -13.974 -4.030 0.848 1.00 34.31 H new ATOM 0 HA VAL A 35 -14.324 -3.673 -1.916 1.00 23.13 H new ATOM 0 HB VAL A 35 -13.350 -1.719 0.210 1.00 11.42 H new ATOM 0 HG11 VAL A 35 -14.170 0.054 -1.293 1.00 22.44 H new ATOM 0 HG12 VAL A 35 -12.847 -0.882 -2.027 1.00 22.44 H new ATOM 0 HG13 VAL A 35 -14.528 -1.171 -2.534 1.00 22.44 H new ATOM 0 HG21 VAL A 35 -15.719 -1.009 0.316 1.00 1.44 H new ATOM 0 HG22 VAL A 35 -16.148 -2.293 -0.840 1.00 1.44 H new ATOM 0 HG23 VAL A 35 -15.519 -2.718 0.770 1.00 1.44 H new ATOM 540 N MET A 36 -11.215 -3.247 -0.812 1.00 45.31 N ATOM 541 CA MET A 36 -9.805 -3.261 -1.209 1.00 24.13 C ATOM 542 C MET A 36 -9.403 -4.643 -1.765 1.00 3.24 C ATOM 543 O MET A 36 -8.528 -4.750 -2.621 1.00 62.32 O ATOM 544 CB MET A 36 -8.919 -2.886 -0.011 1.00 15.32 C ATOM 545 CG MET A 36 -7.439 -2.760 -0.344 1.00 72.22 C ATOM 546 SD MET A 36 -6.442 -2.259 1.075 1.00 61.43 S ATOM 547 CE MET A 36 -7.159 -0.662 1.464 1.00 65.40 C ATOM 0 H MET A 36 -11.365 -3.172 0.194 1.00 45.31 H new ATOM 0 HA MET A 36 -9.661 -2.525 -2.000 1.00 24.13 H new ATOM 0 HB2 MET A 36 -9.268 -1.940 0.403 1.00 15.32 H new ATOM 0 HB3 MET A 36 -9.042 -3.639 0.767 1.00 15.32 H new ATOM 0 HG2 MET A 36 -7.073 -3.716 -0.720 1.00 72.22 H new ATOM 0 HG3 MET A 36 -7.312 -2.033 -1.146 1.00 72.22 H new ATOM 0 HE1 MET A 36 -6.509 -0.131 2.160 1.00 65.40 H new ATOM 0 HE2 MET A 36 -7.265 -0.078 0.550 1.00 65.40 H new ATOM 0 HE3 MET A 36 -8.139 -0.804 1.919 1.00 65.40 H new ATOM 557 N ASN A 37 -10.073 -5.689 -1.276 1.00 11.12 N ATOM 558 CA ASN A 37 -9.812 -7.074 -1.696 1.00 33.11 C ATOM 559 C ASN A 37 -10.167 -7.270 -3.174 1.00 44.33 C ATOM 560 O ASN A 37 -9.330 -7.682 -3.975 1.00 23.40 O ATOM 561 CB ASN A 37 -10.633 -8.042 -0.833 1.00 20.45 C ATOM 562 CG ASN A 37 -10.278 -9.497 -1.061 1.00 14.40 C ATOM 563 OD1 ASN A 37 -10.839 -10.160 -1.924 1.00 4.11 O ATOM 564 ND2 ASN A 37 -9.353 -10.006 -0.276 1.00 71.23 N ATOM 0 H ASN A 37 -10.812 -5.603 -0.578 1.00 11.12 H new ATOM 0 HA ASN A 37 -8.750 -7.280 -1.565 1.00 33.11 H new ATOM 0 HB2 ASN A 37 -10.481 -7.799 0.219 1.00 20.45 H new ATOM 0 HB3 ASN A 37 -11.692 -7.896 -1.044 1.00 20.45 H new ATOM 0 HD21 ASN A 37 -9.081 -10.984 -0.376 1.00 71.23 H new ATOM 0 HD22 ASN A 37 -8.907 -9.422 0.432 1.00 71.23 H new ATOM 571 N GLY A 38 -11.414 -6.957 -3.525 1.00 12.31 N ATOM 572 CA GLY A 38 -11.834 -7.007 -4.919 1.00 62.11 C ATOM 573 C GLY A 38 -11.011 -6.076 -5.804 1.00 23.02 C ATOM 574 O GLY A 38 -10.687 -6.410 -6.944 1.00 24.34 O ATOM 0 H GLY A 38 -12.141 -6.670 -2.870 1.00 12.31 H new ATOM 0 HA2 GLY A 38 -11.744 -8.029 -5.287 1.00 62.11 H new ATOM 0 HA3 GLY A 38 -12.887 -6.735 -4.989 1.00 62.11 H new ATOM 578 N ARG A 39 -10.669 -4.908 -5.258 1.00 10.42 N ATOM 579 CA ARG A 39 -9.828 -3.933 -5.929 1.00 41.34 C ATOM 580 C ARG A 39 -8.471 -4.549 -6.329 1.00 73.42 C ATOM 581 O ARG A 39 -8.083 -4.521 -7.495 1.00 52.13 O ATOM 582 CB ARG A 39 -9.621 -2.753 -4.971 1.00 61.10 C ATOM 583 CG ARG A 39 -9.049 -1.509 -5.619 1.00 13.14 C ATOM 584 CD ARG A 39 -10.081 -0.783 -6.479 1.00 44.02 C ATOM 585 NE ARG A 39 -11.152 -0.185 -5.675 1.00 72.24 N ATOM 586 CZ ARG A 39 -12.400 -0.579 -5.695 1.00 73.13 C ATOM 587 NH1 ARG A 39 -12.761 -1.601 -6.400 1.00 64.43 N ATOM 588 NH2 ARG A 39 -13.286 0.046 -4.996 1.00 43.04 N ATOM 0 H ARG A 39 -10.974 -4.616 -4.330 1.00 10.42 H new ATOM 0 HA ARG A 39 -10.311 -3.598 -6.847 1.00 41.34 H new ATOM 0 HB2 ARG A 39 -10.578 -2.501 -4.513 1.00 61.10 H new ATOM 0 HB3 ARG A 39 -8.955 -3.067 -4.167 1.00 61.10 H new ATOM 0 HG2 ARG A 39 -8.683 -0.834 -4.846 1.00 13.14 H new ATOM 0 HG3 ARG A 39 -8.192 -1.783 -6.235 1.00 13.14 H new ATOM 0 HD2 ARG A 39 -9.585 -0.004 -7.058 1.00 44.02 H new ATOM 0 HD3 ARG A 39 -10.513 -1.484 -7.193 1.00 44.02 H new ATOM 0 HE ARG A 39 -10.908 0.590 -5.059 1.00 72.24 H new ATOM 0 HH11 ARG A 39 -12.070 -2.111 -6.950 1.00 64.43 H new ATOM 0 HH12 ARG A 39 -13.737 -1.897 -6.406 1.00 64.43 H new ATOM 0 HH21 ARG A 39 -13.014 0.848 -4.427 1.00 43.04 H new ATOM 0 HH22 ARG A 39 -14.258 -0.262 -5.012 1.00 43.04 H new ATOM 602 N LEU A 40 -7.770 -5.126 -5.351 1.00 5.41 N ATOM 603 CA LEU A 40 -6.448 -5.730 -5.580 1.00 5.11 C ATOM 604 C LEU A 40 -6.534 -7.013 -6.424 1.00 21.34 C ATOM 605 O LEU A 40 -5.761 -7.200 -7.368 1.00 4.22 O ATOM 606 CB LEU A 40 -5.764 -6.034 -4.238 1.00 22.24 C ATOM 607 CG LEU A 40 -5.429 -4.803 -3.379 1.00 51.13 C ATOM 608 CD1 LEU A 40 -4.826 -5.222 -2.040 1.00 23.34 C ATOM 609 CD2 LEU A 40 -4.484 -3.869 -4.128 1.00 52.42 C ATOM 0 H LEU A 40 -8.095 -5.190 -4.386 1.00 5.41 H new ATOM 0 HA LEU A 40 -5.855 -5.006 -6.139 1.00 5.11 H new ATOM 0 HB2 LEU A 40 -6.411 -6.695 -3.661 1.00 22.24 H new ATOM 0 HB3 LEU A 40 -4.842 -6.582 -4.434 1.00 22.24 H new ATOM 0 HG LEU A 40 -6.356 -4.265 -3.178 1.00 51.13 H new ATOM 0 HD11 LEU A 40 -4.597 -4.334 -1.450 1.00 23.34 H new ATOM 0 HD12 LEU A 40 -5.539 -5.844 -1.499 1.00 23.34 H new ATOM 0 HD13 LEU A 40 -3.911 -5.787 -2.214 1.00 23.34 H new ATOM 0 HD21 LEU A 40 -4.258 -3.004 -3.505 1.00 52.42 H new ATOM 0 HD22 LEU A 40 -3.560 -4.398 -4.363 1.00 52.42 H new ATOM 0 HD23 LEU A 40 -4.957 -3.537 -5.052 1.00 52.42 H new ATOM 621 N ARG A 41 -7.474 -7.894 -6.085 1.00 43.51 N ATOM 622 CA ARG A 41 -7.651 -9.155 -6.811 1.00 61.35 C ATOM 623 C ARG A 41 -7.940 -8.896 -8.300 1.00 14.42 C ATOM 624 O ARG A 41 -7.444 -9.611 -9.179 1.00 44.25 O ATOM 625 CB ARG A 41 -8.780 -9.983 -6.182 1.00 20.12 C ATOM 626 CG ARG A 41 -8.889 -11.401 -6.742 1.00 44.10 C ATOM 627 CD ARG A 41 -9.962 -12.220 -6.027 1.00 63.12 C ATOM 628 NE ARG A 41 -11.314 -11.715 -6.276 1.00 42.44 N ATOM 629 CZ ARG A 41 -12.407 -12.298 -5.853 1.00 54.24 C ATOM 630 NH1 ARG A 41 -12.355 -13.392 -5.163 1.00 45.50 N ATOM 631 NH2 ARG A 41 -13.559 -11.789 -6.130 1.00 12.13 N ATOM 0 H ARG A 41 -8.126 -7.760 -5.312 1.00 43.51 H new ATOM 0 HA ARG A 41 -6.722 -9.721 -6.739 1.00 61.35 H new ATOM 0 HB2 ARG A 41 -8.621 -10.039 -5.105 1.00 20.12 H new ATOM 0 HB3 ARG A 41 -9.727 -9.467 -6.338 1.00 20.12 H new ATOM 0 HG2 ARG A 41 -9.119 -11.353 -7.806 1.00 44.10 H new ATOM 0 HG3 ARG A 41 -7.926 -11.903 -6.646 1.00 44.10 H new ATOM 0 HD2 ARG A 41 -9.900 -13.258 -6.354 1.00 63.12 H new ATOM 0 HD3 ARG A 41 -9.766 -12.211 -4.955 1.00 63.12 H new ATOM 0 HE ARG A 41 -11.410 -10.854 -6.814 1.00 42.44 H new ATOM 0 HH11 ARG A 41 -11.453 -13.813 -4.941 1.00 45.50 H new ATOM 0 HH12 ARG A 41 -13.216 -13.833 -4.841 1.00 45.50 H new ATOM 0 HH21 ARG A 41 -13.619 -10.932 -6.679 1.00 12.13 H new ATOM 0 HH22 ARG A 41 -14.410 -12.244 -5.800 1.00 12.13 H new ATOM 645 N ALA A 42 -8.738 -7.862 -8.574 1.00 53.10 N ATOM 646 CA ALA A 42 -9.017 -7.441 -9.949 1.00 53.04 C ATOM 647 C ALA A 42 -7.725 -7.056 -10.681 1.00 31.41 C ATOM 648 O ALA A 42 -7.553 -7.359 -11.857 1.00 61.13 O ATOM 649 CB ALA A 42 -10.000 -6.275 -9.962 1.00 31.41 C ATOM 0 H ALA A 42 -9.203 -7.300 -7.861 1.00 53.10 H new ATOM 0 HA ALA A 42 -9.466 -8.284 -10.474 1.00 53.04 H new ATOM 0 HB1 ALA A 42 -10.196 -5.975 -10.992 1.00 31.41 H new ATOM 0 HB2 ALA A 42 -10.933 -6.581 -9.489 1.00 31.41 H new ATOM 0 HB3 ALA A 42 -9.574 -5.434 -9.414 1.00 31.41 H new ATOM 655 N ILE A 43 -6.810 -6.400 -9.973 1.00 13.41 N ATOM 656 CA ILE A 43 -5.528 -5.994 -10.556 1.00 63.43 C ATOM 657 C ILE A 43 -4.668 -7.211 -10.940 1.00 23.04 C ATOM 658 O ILE A 43 -4.108 -7.264 -12.037 1.00 21.24 O ATOM 659 CB ILE A 43 -4.725 -5.087 -9.589 1.00 1.45 C ATOM 660 CG1 ILE A 43 -5.555 -3.856 -9.196 1.00 65.21 C ATOM 661 CG2 ILE A 43 -3.403 -4.656 -10.222 1.00 32.31 C ATOM 662 CD1 ILE A 43 -4.883 -2.961 -8.176 1.00 24.04 C ATOM 0 H ILE A 43 -6.929 -6.137 -8.995 1.00 13.41 H new ATOM 0 HA ILE A 43 -5.764 -5.430 -11.458 1.00 63.43 H new ATOM 0 HB ILE A 43 -4.503 -5.660 -8.689 1.00 1.45 H new ATOM 0 HG12 ILE A 43 -5.768 -3.273 -10.092 1.00 65.21 H new ATOM 0 HG13 ILE A 43 -6.513 -4.189 -8.797 1.00 65.21 H new ATOM 0 HG21 ILE A 43 -2.856 -4.020 -9.526 1.00 32.31 H new ATOM 0 HG22 ILE A 43 -2.806 -5.538 -10.454 1.00 32.31 H new ATOM 0 HG23 ILE A 43 -3.602 -4.102 -11.139 1.00 32.31 H new ATOM 0 HD11 ILE A 43 -5.532 -2.115 -7.951 1.00 24.04 H new ATOM 0 HD12 ILE A 43 -4.695 -3.527 -7.263 1.00 24.04 H new ATOM 0 HD13 ILE A 43 -3.938 -2.597 -8.578 1.00 24.04 H new ATOM 674 N ARG A 44 -4.574 -8.198 -10.048 1.00 34.53 N ATOM 675 CA ARG A 44 -3.736 -9.379 -10.303 1.00 75.32 C ATOM 676 C ARG A 44 -4.305 -10.251 -11.438 1.00 12.12 C ATOM 677 O ARG A 44 -3.564 -10.963 -12.110 1.00 65.41 O ATOM 678 CB ARG A 44 -3.554 -10.227 -9.034 1.00 71.34 C ATOM 679 CG ARG A 44 -2.444 -11.274 -9.170 1.00 43.04 C ATOM 680 CD ARG A 44 -2.270 -12.120 -7.914 1.00 4.14 C ATOM 681 NE ARG A 44 -3.386 -13.042 -7.698 1.00 72.41 N ATOM 682 CZ ARG A 44 -3.438 -13.926 -6.736 1.00 52.14 C ATOM 683 NH1 ARG A 44 -2.477 -14.025 -5.871 1.00 22.51 N ATOM 684 NH2 ARG A 44 -4.456 -14.717 -6.646 1.00 53.40 N ATOM 0 H ARG A 44 -5.060 -8.208 -9.151 1.00 34.53 H new ATOM 0 HA ARG A 44 -2.761 -9.005 -10.614 1.00 75.32 H new ATOM 0 HB2 ARG A 44 -3.326 -9.571 -8.194 1.00 71.34 H new ATOM 0 HB3 ARG A 44 -4.493 -10.729 -8.801 1.00 71.34 H new ATOM 0 HG2 ARG A 44 -2.669 -11.927 -10.014 1.00 43.04 H new ATOM 0 HG3 ARG A 44 -1.504 -10.772 -9.397 1.00 43.04 H new ATOM 0 HD2 ARG A 44 -1.343 -12.688 -7.989 1.00 4.14 H new ATOM 0 HD3 ARG A 44 -2.173 -11.464 -7.049 1.00 4.14 H new ATOM 0 HE ARG A 44 -4.176 -12.992 -8.341 1.00 72.41 H new ATOM 0 HH11 ARG A 44 -1.667 -13.409 -5.936 1.00 22.51 H new ATOM 0 HH12 ARG A 44 -2.531 -14.719 -5.126 1.00 22.51 H new ATOM 0 HH21 ARG A 44 -5.215 -14.650 -7.324 1.00 53.40 H new ATOM 0 HH22 ARG A 44 -4.500 -15.408 -5.897 1.00 53.40 H new ATOM 698 N SER A 45 -5.620 -10.196 -11.646 1.00 24.24 N ATOM 699 CA SER A 45 -6.264 -10.975 -12.720 1.00 10.15 C ATOM 700 C SER A 45 -6.298 -10.183 -14.035 1.00 11.43 C ATOM 701 O SER A 45 -5.852 -10.662 -15.079 1.00 61.44 O ATOM 702 CB SER A 45 -7.693 -11.372 -12.322 1.00 52.21 C ATOM 703 OG SER A 45 -8.351 -12.077 -13.369 1.00 53.22 O ATOM 0 H SER A 45 -6.262 -9.627 -11.094 1.00 24.24 H new ATOM 0 HA SER A 45 -5.671 -11.877 -12.870 1.00 10.15 H new ATOM 0 HB2 SER A 45 -7.663 -11.993 -11.427 1.00 52.21 H new ATOM 0 HB3 SER A 45 -8.263 -10.478 -12.070 1.00 52.21 H new ATOM 0 HG SER A 45 -9.257 -12.316 -13.083 1.00 53.22 H new ATOM 709 N SER A 46 -6.819 -8.961 -13.970 1.00 32.51 N ATOM 710 CA SER A 46 -6.962 -8.102 -15.153 1.00 70.35 C ATOM 711 C SER A 46 -5.612 -7.555 -15.651 1.00 12.30 C ATOM 712 O SER A 46 -5.348 -7.535 -16.853 1.00 74.22 O ATOM 713 CB SER A 46 -7.899 -6.928 -14.835 1.00 63.13 C ATOM 714 OG SER A 46 -9.196 -7.384 -14.480 1.00 41.21 O ATOM 0 H SER A 46 -7.153 -8.536 -13.105 1.00 32.51 H new ATOM 0 HA SER A 46 -7.382 -8.719 -15.947 1.00 70.35 H new ATOM 0 HB2 SER A 46 -7.482 -6.338 -14.018 1.00 63.13 H new ATOM 0 HB3 SER A 46 -7.967 -6.270 -15.701 1.00 63.13 H new ATOM 0 HG SER A 46 -9.226 -7.568 -13.518 1.00 41.21 H new ATOM 720 N HIS A 47 -4.767 -7.100 -14.723 1.00 24.33 N ATOM 721 CA HIS A 47 -3.481 -6.471 -15.078 1.00 12.12 C ATOM 722 C HIS A 47 -2.279 -7.400 -14.807 1.00 32.40 C ATOM 723 O HIS A 47 -1.175 -7.149 -15.294 1.00 21.13 O ATOM 724 CB HIS A 47 -3.303 -5.167 -14.288 1.00 35.42 C ATOM 725 CG HIS A 47 -4.439 -4.199 -14.447 1.00 72.25 C ATOM 726 ND1 HIS A 47 -4.446 -3.257 -15.444 1.00 61.13 N ATOM 727 CD2 HIS A 47 -5.561 -4.058 -13.702 1.00 42.42 C ATOM 728 CE1 HIS A 47 -5.558 -2.567 -15.286 1.00 34.42 C ATOM 729 NE2 HIS A 47 -6.266 -3.018 -14.246 1.00 13.24 N ATOM 0 H HIS A 47 -4.945 -7.153 -13.720 1.00 24.33 H new ATOM 0 HA HIS A 47 -3.507 -6.265 -16.148 1.00 12.12 H new ATOM 0 HB2 HIS A 47 -3.188 -5.407 -13.231 1.00 35.42 H new ATOM 0 HB3 HIS A 47 -2.380 -4.684 -14.607 1.00 35.42 H new ATOM 0 HD2 HIS A 47 -5.845 -4.651 -12.845 1.00 42.42 H new ATOM 0 HE1 HIS A 47 -5.858 -1.743 -15.916 1.00 34.42 H new ATOM 0 HE2 HIS A 47 -7.162 -2.656 -13.919 1.00 13.24 H new ATOM 737 N ALA A 48 -2.503 -8.456 -14.015 1.00 50.31 N ATOM 738 CA ALA A 48 -1.441 -9.407 -13.630 1.00 4.33 C ATOM 739 C ALA A 48 -0.396 -8.758 -12.702 1.00 70.43 C ATOM 740 O ALA A 48 0.726 -9.250 -12.563 1.00 12.11 O ATOM 741 CB ALA A 48 -0.772 -10.008 -14.867 1.00 15.24 C ATOM 0 H ALA A 48 -3.418 -8.679 -13.623 1.00 50.31 H new ATOM 0 HA ALA A 48 -1.916 -10.213 -13.070 1.00 4.33 H new ATOM 0 HB1 ALA A 48 0.007 -10.705 -14.557 1.00 15.24 H new ATOM 0 HB2 ALA A 48 -1.516 -10.537 -15.463 1.00 15.24 H new ATOM 0 HB3 ALA A 48 -0.329 -9.211 -15.464 1.00 15.24 H new ATOM 747 N VAL A 49 -0.781 -7.662 -12.053 1.00 34.14 N ATOM 748 CA VAL A 49 0.099 -6.966 -11.110 1.00 61.12 C ATOM 749 C VAL A 49 -0.180 -7.401 -9.664 1.00 45.40 C ATOM 750 O VAL A 49 -1.315 -7.327 -9.188 1.00 43.32 O ATOM 751 CB VAL A 49 -0.066 -5.430 -11.220 1.00 20.15 C ATOM 752 CG1 VAL A 49 0.835 -4.707 -10.221 1.00 53.03 C ATOM 753 CG2 VAL A 49 0.213 -4.960 -12.648 1.00 41.21 C ATOM 0 H VAL A 49 -1.700 -7.233 -12.162 1.00 34.14 H new ATOM 0 HA VAL A 49 1.122 -7.235 -11.372 1.00 61.12 H new ATOM 0 HB VAL A 49 -1.099 -5.182 -10.975 1.00 20.15 H new ATOM 0 HG11 VAL A 49 0.698 -3.630 -10.321 1.00 53.03 H new ATOM 0 HG12 VAL A 49 0.575 -5.014 -9.208 1.00 53.03 H new ATOM 0 HG13 VAL A 49 1.876 -4.961 -10.420 1.00 53.03 H new ATOM 0 HG21 VAL A 49 0.092 -3.878 -12.705 1.00 41.21 H new ATOM 0 HG22 VAL A 49 1.233 -5.226 -12.926 1.00 41.21 H new ATOM 0 HG23 VAL A 49 -0.487 -5.440 -13.332 1.00 41.21 H new ATOM 763 N GLU A 50 0.855 -7.865 -8.973 1.00 12.22 N ATOM 764 CA GLU A 50 0.725 -8.282 -7.577 1.00 40.03 C ATOM 765 C GLU A 50 0.878 -7.080 -6.629 1.00 13.22 C ATOM 766 O GLU A 50 1.990 -6.653 -6.305 1.00 25.33 O ATOM 767 CB GLU A 50 1.758 -9.367 -7.257 1.00 12.10 C ATOM 768 CG GLU A 50 1.612 -10.617 -8.120 1.00 22.51 C ATOM 769 CD GLU A 50 2.678 -11.662 -7.831 1.00 51.02 C ATOM 770 OE1 GLU A 50 2.625 -12.289 -6.756 1.00 32.35 O ATOM 771 OE2 GLU A 50 3.564 -11.874 -8.687 1.00 70.20 O ATOM 0 H GLU A 50 1.796 -7.963 -9.355 1.00 12.22 H new ATOM 0 HA GLU A 50 -0.272 -8.696 -7.428 1.00 40.03 H new ATOM 0 HB2 GLU A 50 2.759 -8.956 -7.392 1.00 12.10 H new ATOM 0 HB3 GLU A 50 1.667 -9.647 -6.207 1.00 12.10 H new ATOM 0 HG2 GLU A 50 0.627 -11.054 -7.954 1.00 22.51 H new ATOM 0 HG3 GLU A 50 1.663 -10.335 -9.172 1.00 22.51 H new ATOM 778 N PHE A 51 -0.262 -6.536 -6.210 1.00 70.42 N ATOM 779 CA PHE A 51 -0.318 -5.339 -5.361 1.00 65.50 C ATOM 780 C PHE A 51 -0.830 -5.698 -3.952 1.00 75.40 C ATOM 781 O PHE A 51 -2.010 -5.991 -3.767 1.00 23.10 O ATOM 782 CB PHE A 51 -1.245 -4.313 -6.041 1.00 22.33 C ATOM 783 CG PHE A 51 -1.276 -2.926 -5.436 1.00 12.25 C ATOM 784 CD1 PHE A 51 -0.507 -2.581 -4.328 1.00 15.41 C ATOM 785 CD2 PHE A 51 -2.092 -1.954 -6.000 1.00 23.34 C ATOM 786 CE1 PHE A 51 -0.560 -1.303 -3.803 1.00 53.40 C ATOM 787 CE2 PHE A 51 -2.144 -0.681 -5.479 1.00 70.13 C ATOM 788 CZ PHE A 51 -1.380 -0.352 -4.381 1.00 35.41 C ATOM 0 H PHE A 51 -1.180 -6.912 -6.449 1.00 70.42 H new ATOM 0 HA PHE A 51 0.679 -4.914 -5.244 1.00 65.50 H new ATOM 0 HB2 PHE A 51 -0.946 -4.223 -7.085 1.00 22.33 H new ATOM 0 HB3 PHE A 51 -2.259 -4.712 -6.033 1.00 22.33 H new ATOM 0 HD1 PHE A 51 0.138 -3.319 -3.874 1.00 15.41 H new ATOM 0 HD2 PHE A 51 -2.695 -2.201 -6.861 1.00 23.34 H new ATOM 0 HE1 PHE A 51 0.039 -1.048 -2.941 1.00 53.40 H new ATOM 0 HE2 PHE A 51 -2.785 0.061 -5.932 1.00 70.13 H new ATOM 0 HZ PHE A 51 -1.422 0.647 -3.973 1.00 35.41 H new ATOM 798 N ALA A 52 0.064 -5.684 -2.964 1.00 54.31 N ATOM 799 CA ALA A 52 -0.290 -6.076 -1.588 1.00 30.54 C ATOM 800 C ALA A 52 -0.279 -4.877 -0.625 1.00 75.11 C ATOM 801 O ALA A 52 0.543 -3.970 -0.757 1.00 61.44 O ATOM 802 CB ALA A 52 0.661 -7.160 -1.090 1.00 50.01 C ATOM 0 H ALA A 52 1.038 -5.407 -3.084 1.00 54.31 H new ATOM 0 HA ALA A 52 -1.307 -6.467 -1.610 1.00 30.54 H new ATOM 0 HB1 ALA A 52 0.390 -7.442 -0.073 1.00 50.01 H new ATOM 0 HB2 ALA A 52 0.590 -8.033 -1.739 1.00 50.01 H new ATOM 0 HB3 ALA A 52 1.683 -6.781 -1.102 1.00 50.01 H new ATOM 808 N VAL A 53 -1.191 -4.890 0.350 1.00 42.32 N ATOM 809 CA VAL A 53 -1.300 -3.807 1.341 1.00 14.14 C ATOM 810 C VAL A 53 -1.222 -4.352 2.779 1.00 63.01 C ATOM 811 O VAL A 53 -2.043 -5.176 3.191 1.00 50.01 O ATOM 812 CB VAL A 53 -2.622 -3.011 1.172 1.00 14.35 C ATOM 813 CG1 VAL A 53 -2.714 -1.879 2.198 1.00 55.21 C ATOM 814 CG2 VAL A 53 -2.750 -2.465 -0.252 1.00 74.20 C ATOM 0 H VAL A 53 -1.870 -5.641 0.478 1.00 42.32 H new ATOM 0 HA VAL A 53 -0.457 -3.138 1.165 1.00 14.14 H new ATOM 0 HB VAL A 53 -3.452 -3.695 1.349 1.00 14.35 H new ATOM 0 HG11 VAL A 53 -3.649 -1.337 2.058 1.00 55.21 H new ATOM 0 HG12 VAL A 53 -2.683 -2.297 3.204 1.00 55.21 H new ATOM 0 HG13 VAL A 53 -1.875 -1.196 2.063 1.00 55.21 H new ATOM 0 HG21 VAL A 53 -3.684 -1.911 -0.347 1.00 74.20 H new ATOM 0 HG22 VAL A 53 -1.911 -1.802 -0.464 1.00 74.20 H new ATOM 0 HG23 VAL A 53 -2.746 -3.293 -0.961 1.00 74.20 H new ATOM 824 N VAL A 54 -0.234 -3.877 3.538 1.00 22.22 N ATOM 825 CA VAL A 54 -0.014 -4.332 4.918 1.00 1.33 C ATOM 826 C VAL A 54 -0.060 -3.161 5.915 1.00 12.31 C ATOM 827 O VAL A 54 0.615 -2.148 5.728 1.00 12.22 O ATOM 828 CB VAL A 54 1.355 -5.051 5.054 1.00 41.32 C ATOM 829 CG1 VAL A 54 1.572 -5.544 6.484 1.00 32.33 C ATOM 830 CG2 VAL A 54 1.461 -6.206 4.058 1.00 14.54 C ATOM 0 H VAL A 54 0.432 -3.173 3.221 1.00 22.22 H new ATOM 0 HA VAL A 54 -0.819 -5.029 5.151 1.00 1.33 H new ATOM 0 HB VAL A 54 2.140 -4.331 4.824 1.00 41.32 H new ATOM 0 HG11 VAL A 54 2.538 -6.044 6.554 1.00 32.33 H new ATOM 0 HG12 VAL A 54 1.552 -4.696 7.168 1.00 32.33 H new ATOM 0 HG13 VAL A 54 0.781 -6.244 6.751 1.00 32.33 H new ATOM 0 HG21 VAL A 54 2.428 -6.696 4.171 1.00 14.54 H new ATOM 0 HG22 VAL A 54 0.665 -6.926 4.249 1.00 14.54 H new ATOM 0 HG23 VAL A 54 1.365 -5.821 3.043 1.00 14.54 H new ATOM 840 N THR A 55 -0.860 -3.299 6.975 1.00 61.23 N ATOM 841 CA THR A 55 -0.944 -2.271 8.025 1.00 43.11 C ATOM 842 C THR A 55 -0.326 -2.770 9.337 1.00 71.23 C ATOM 843 O THR A 55 -0.726 -3.807 9.872 1.00 73.33 O ATOM 844 CB THR A 55 -2.406 -1.847 8.310 1.00 32.22 C ATOM 845 OG1 THR A 55 -3.098 -2.890 9.013 1.00 61.33 O ATOM 846 CG2 THR A 55 -3.147 -1.528 7.016 1.00 34.23 C ATOM 0 H THR A 55 -1.459 -4.109 7.132 1.00 61.23 H new ATOM 0 HA THR A 55 -0.389 -1.411 7.651 1.00 43.11 H new ATOM 0 HB THR A 55 -2.379 -0.949 8.927 1.00 32.22 H new ATOM 0 HG1 THR A 55 -4.057 -2.688 9.037 1.00 61.33 H new ATOM 0 HG21 THR A 55 -4.171 -1.233 7.246 1.00 34.23 H new ATOM 0 HG22 THR A 55 -2.642 -0.712 6.499 1.00 34.23 H new ATOM 0 HG23 THR A 55 -3.159 -2.410 6.376 1.00 34.23 H new ATOM 854 N LEU A 56 0.650 -2.034 9.858 1.00 23.35 N ATOM 855 CA LEU A 56 1.314 -2.401 11.114 1.00 62.52 C ATOM 856 C LEU A 56 1.193 -1.277 12.159 1.00 53.50 C ATOM 857 O LEU A 56 1.296 -0.094 11.827 1.00 54.51 O ATOM 858 CB LEU A 56 2.792 -2.712 10.857 1.00 1.14 C ATOM 859 CG LEU A 56 3.066 -3.826 9.831 1.00 45.21 C ATOM 860 CD1 LEU A 56 4.558 -3.940 9.552 1.00 43.54 C ATOM 861 CD2 LEU A 56 2.510 -5.164 10.317 1.00 11.14 C ATOM 0 H LEU A 56 1.003 -1.177 9.432 1.00 23.35 H new ATOM 0 HA LEU A 56 0.819 -3.289 11.508 1.00 62.52 H new ATOM 0 HB2 LEU A 56 3.283 -1.800 10.517 1.00 1.14 H new ATOM 0 HB3 LEU A 56 3.256 -2.991 11.803 1.00 1.14 H new ATOM 0 HG LEU A 56 2.558 -3.564 8.903 1.00 45.21 H new ATOM 0 HD11 LEU A 56 4.733 -4.733 8.824 1.00 43.54 H new ATOM 0 HD12 LEU A 56 4.927 -2.995 9.154 1.00 43.54 H new ATOM 0 HD13 LEU A 56 5.084 -4.174 10.477 1.00 43.54 H new ATOM 0 HD21 LEU A 56 2.716 -5.935 9.575 1.00 11.14 H new ATOM 0 HD22 LEU A 56 2.983 -5.433 11.261 1.00 11.14 H new ATOM 0 HD23 LEU A 56 1.433 -5.079 10.462 1.00 11.14 H new ATOM 873 N PRO A 57 0.972 -1.629 13.442 1.00 65.54 N ATOM 874 CA PRO A 57 0.834 -0.633 14.519 1.00 11.41 C ATOM 875 C PRO A 57 2.137 0.143 14.779 1.00 2.51 C ATOM 876 O PRO A 57 2.139 1.372 14.834 1.00 62.13 O ATOM 877 CB PRO A 57 0.444 -1.480 15.744 1.00 3.22 C ATOM 878 CG PRO A 57 0.948 -2.850 15.440 1.00 10.01 C ATOM 879 CD PRO A 57 0.837 -3.012 13.946 1.00 11.31 C ATOM 0 HA PRO A 57 0.102 0.136 14.270 1.00 11.41 H new ATOM 0 HB2 PRO A 57 0.894 -1.087 16.656 1.00 3.22 H new ATOM 0 HB3 PRO A 57 -0.635 -1.481 15.896 1.00 3.22 H new ATOM 0 HG2 PRO A 57 1.980 -2.968 15.769 1.00 10.01 H new ATOM 0 HG3 PRO A 57 0.359 -3.606 15.959 1.00 10.01 H new ATOM 0 HD2 PRO A 57 1.619 -3.661 13.553 1.00 11.31 H new ATOM 0 HD3 PRO A 57 -0.118 -3.453 13.659 1.00 11.31 H new ATOM 887 N SER A 58 3.247 -0.580 14.919 1.00 50.00 N ATOM 888 CA SER A 58 4.548 0.038 15.207 1.00 64.52 C ATOM 889 C SER A 58 5.702 -0.789 14.641 1.00 32.04 C ATOM 890 O SER A 58 5.644 -2.017 14.622 1.00 42.31 O ATOM 891 CB SER A 58 4.740 0.200 16.722 1.00 64.31 C ATOM 892 OG SER A 58 4.665 -1.051 17.396 1.00 12.35 O ATOM 0 H SER A 58 3.275 -1.596 14.838 1.00 50.00 H new ATOM 0 HA SER A 58 4.554 1.017 14.727 1.00 64.52 H new ATOM 0 HB2 SER A 58 5.707 0.663 16.919 1.00 64.31 H new ATOM 0 HB3 SER A 58 3.978 0.873 17.116 1.00 64.31 H new ATOM 0 HG SER A 58 4.793 -0.913 18.358 1.00 12.35 H new ATOM 898 N ILE A 59 6.750 -0.108 14.183 1.00 72.41 N ATOM 899 CA ILE A 59 7.964 -0.776 13.693 1.00 21.23 C ATOM 900 C ILE A 59 9.199 -0.341 14.502 1.00 52.34 C ATOM 901 O ILE A 59 10.339 -0.637 14.134 1.00 32.15 O ATOM 902 CB ILE A 59 8.197 -0.492 12.185 1.00 73.14 C ATOM 903 CG1 ILE A 59 8.356 1.018 11.929 1.00 62.44 C ATOM 904 CG2 ILE A 59 7.050 -1.067 11.351 1.00 43.44 C ATOM 905 CD1 ILE A 59 8.623 1.367 10.479 1.00 34.22 C ATOM 0 H ILE A 59 6.787 0.910 14.139 1.00 72.41 H new ATOM 0 HA ILE A 59 7.817 -1.848 13.824 1.00 21.23 H new ATOM 0 HB ILE A 59 9.122 -0.982 11.883 1.00 73.14 H new ATOM 0 HG12 ILE A 59 7.451 1.530 12.256 1.00 62.44 H new ATOM 0 HG13 ILE A 59 9.175 1.397 12.541 1.00 62.44 H new ATOM 0 HG21 ILE A 59 7.228 -0.860 10.296 1.00 43.44 H new ATOM 0 HG22 ILE A 59 6.993 -2.145 11.505 1.00 43.44 H new ATOM 0 HG23 ILE A 59 6.111 -0.607 11.658 1.00 43.44 H new ATOM 0 HD11 ILE A 59 8.723 2.448 10.377 1.00 34.22 H new ATOM 0 HD12 ILE A 59 9.544 0.885 10.152 1.00 34.22 H new ATOM 0 HD13 ILE A 59 7.794 1.020 9.863 1.00 34.22 H new ATOM 917 N GLY A 60 8.960 0.354 15.616 1.00 30.14 N ATOM 918 CA GLY A 60 10.048 0.810 16.471 1.00 14.31 C ATOM 919 C GLY A 60 10.937 1.856 15.804 1.00 41.35 C ATOM 920 O GLY A 60 10.455 2.896 15.351 1.00 25.23 O ATOM 0 H GLY A 60 8.028 0.610 15.942 1.00 30.14 H new ATOM 0 HA2 GLY A 60 9.631 1.228 17.387 1.00 14.31 H new ATOM 0 HA3 GLY A 60 10.658 -0.046 16.760 1.00 14.31 H new ATOM 924 N ASP A 61 12.236 1.575 15.742 1.00 1.30 N ATOM 925 CA ASP A 61 13.208 2.491 15.138 1.00 70.41 C ATOM 926 C ASP A 61 13.573 2.059 13.705 1.00 64.21 C ATOM 927 O ASP A 61 14.576 2.510 13.143 1.00 14.23 O ATOM 928 CB ASP A 61 14.468 2.541 16.011 1.00 15.01 C ATOM 929 CG ASP A 61 14.184 3.068 17.408 1.00 34.15 C ATOM 930 OD1 ASP A 61 13.569 2.338 18.215 1.00 34.52 O ATOM 931 OD2 ASP A 61 14.566 4.218 17.707 1.00 44.22 O ATOM 0 H ASP A 61 12.645 0.714 16.105 1.00 1.30 H new ATOM 0 HA ASP A 61 12.759 3.482 15.080 1.00 70.41 H new ATOM 0 HB2 ASP A 61 14.897 1.542 16.083 1.00 15.01 H new ATOM 0 HB3 ASP A 61 15.214 3.174 15.531 1.00 15.01 H new ATOM 936 N ALA A 62 12.758 1.186 13.120 1.00 11.41 N ATOM 937 CA ALA A 62 13.007 0.676 11.768 1.00 14.43 C ATOM 938 C ALA A 62 12.621 1.700 10.684 1.00 21.13 C ATOM 939 O ALA A 62 11.593 2.374 10.789 1.00 62.23 O ATOM 940 CB ALA A 62 12.247 -0.630 11.555 1.00 14.25 C ATOM 0 H ALA A 62 11.916 0.814 13.560 1.00 11.41 H new ATOM 0 HA ALA A 62 14.078 0.493 11.676 1.00 14.43 H new ATOM 0 HB1 ALA A 62 12.438 -1.002 10.548 1.00 14.25 H new ATOM 0 HB2 ALA A 62 12.581 -1.368 12.284 1.00 14.25 H new ATOM 0 HB3 ALA A 62 11.179 -0.454 11.681 1.00 14.25 H new ATOM 946 N PRO A 63 13.450 1.842 9.631 1.00 61.44 N ATOM 947 CA PRO A 63 13.140 2.710 8.488 1.00 44.44 C ATOM 948 C PRO A 63 12.113 2.065 7.543 1.00 2.03 C ATOM 949 O PRO A 63 12.350 0.981 7.009 1.00 40.21 O ATOM 950 CB PRO A 63 14.498 2.884 7.772 1.00 55.42 C ATOM 951 CG PRO A 63 15.512 2.181 8.624 1.00 3.15 C ATOM 952 CD PRO A 63 14.754 1.191 9.467 1.00 20.21 C ATOM 0 HA PRO A 63 12.696 3.654 8.803 1.00 44.44 H new ATOM 0 HB2 PRO A 63 14.468 2.456 6.770 1.00 55.42 H new ATOM 0 HB3 PRO A 63 14.747 3.939 7.661 1.00 55.42 H new ATOM 0 HG2 PRO A 63 16.254 1.675 8.006 1.00 3.15 H new ATOM 0 HG3 PRO A 63 16.051 2.892 9.251 1.00 3.15 H new ATOM 0 HD2 PRO A 63 14.665 0.223 8.974 1.00 20.21 H new ATOM 0 HD3 PRO A 63 15.243 1.016 10.425 1.00 20.21 H new ATOM 960 N LEU A 64 10.980 2.735 7.331 1.00 20.21 N ATOM 961 CA LEU A 64 9.918 2.205 6.466 1.00 64.40 C ATOM 962 C LEU A 64 10.451 1.882 5.056 1.00 33.53 C ATOM 963 O LEU A 64 10.082 0.871 4.456 1.00 54.42 O ATOM 964 CB LEU A 64 8.756 3.205 6.391 1.00 41.52 C ATOM 965 CG LEU A 64 7.555 2.766 5.536 1.00 33.02 C ATOM 966 CD1 LEU A 64 7.002 1.426 6.019 1.00 73.10 C ATOM 967 CD2 LEU A 64 6.467 3.835 5.555 1.00 31.10 C ATOM 0 H LEU A 64 10.771 3.644 7.744 1.00 20.21 H new ATOM 0 HA LEU A 64 9.556 1.273 6.901 1.00 64.40 H new ATOM 0 HB2 LEU A 64 8.405 3.403 7.404 1.00 41.52 H new ATOM 0 HB3 LEU A 64 9.136 4.147 5.995 1.00 41.52 H new ATOM 0 HG LEU A 64 7.897 2.639 4.509 1.00 33.02 H new ATOM 0 HD11 LEU A 64 6.154 1.138 5.398 1.00 73.10 H new ATOM 0 HD12 LEU A 64 7.779 0.665 5.948 1.00 73.10 H new ATOM 0 HD13 LEU A 64 6.678 1.518 7.056 1.00 73.10 H new ATOM 0 HD21 LEU A 64 5.625 3.508 4.945 1.00 31.10 H new ATOM 0 HD22 LEU A 64 6.132 3.995 6.580 1.00 31.10 H new ATOM 0 HD23 LEU A 64 6.865 4.767 5.154 1.00 31.10 H new ATOM 979 N GLU A 65 11.328 2.744 4.550 1.00 2.23 N ATOM 980 CA GLU A 65 12.001 2.530 3.259 1.00 0.43 C ATOM 981 C GLU A 65 12.780 1.199 3.226 1.00 31.32 C ATOM 982 O GLU A 65 12.695 0.439 2.261 1.00 71.32 O ATOM 983 CB GLU A 65 12.943 3.711 2.980 1.00 0.13 C ATOM 984 CG GLU A 65 13.982 3.926 4.074 1.00 3.41 C ATOM 985 CD GLU A 65 14.738 5.235 3.927 1.00 32.24 C ATOM 986 OE1 GLU A 65 15.761 5.264 3.214 1.00 54.34 O ATOM 987 OE2 GLU A 65 14.310 6.242 4.527 1.00 23.45 O ATOM 0 H GLU A 65 11.596 3.610 5.017 1.00 2.23 H new ATOM 0 HA GLU A 65 11.239 2.471 2.482 1.00 0.43 H new ATOM 0 HB2 GLU A 65 13.454 3.543 2.032 1.00 0.13 H new ATOM 0 HB3 GLU A 65 12.351 4.620 2.867 1.00 0.13 H new ATOM 0 HG2 GLU A 65 13.488 3.906 5.045 1.00 3.41 H new ATOM 0 HG3 GLU A 65 14.692 3.099 4.060 1.00 3.41 H new ATOM 994 N ASP A 66 13.531 0.918 4.291 1.00 32.44 N ATOM 995 CA ASP A 66 14.323 -0.313 4.383 1.00 51.40 C ATOM 996 C ASP A 66 13.440 -1.504 4.808 1.00 51.30 C ATOM 997 O ASP A 66 13.808 -2.671 4.639 1.00 3.54 O ATOM 998 CB ASP A 66 15.477 -0.096 5.376 1.00 54.54 C ATOM 999 CG ASP A 66 16.419 -1.285 5.473 1.00 50.10 C ATOM 1000 OD1 ASP A 66 16.960 -1.711 4.430 1.00 60.24 O ATOM 1001 OD2 ASP A 66 16.611 -1.811 6.591 1.00 72.44 O ATOM 0 H ASP A 66 13.609 1.527 5.105 1.00 32.44 H new ATOM 0 HA ASP A 66 14.736 -0.551 3.403 1.00 51.40 H new ATOM 0 HB2 ASP A 66 16.045 0.785 5.076 1.00 54.54 H new ATOM 0 HB3 ASP A 66 15.064 0.112 6.363 1.00 54.54 H new ATOM 1006 N PHE A 67 12.270 -1.190 5.358 1.00 34.41 N ATOM 1007 CA PHE A 67 11.303 -2.200 5.800 1.00 2.41 C ATOM 1008 C PHE A 67 10.546 -2.811 4.604 1.00 12.13 C ATOM 1009 O PHE A 67 10.551 -4.031 4.407 1.00 52.42 O ATOM 1010 CB PHE A 67 10.310 -1.553 6.785 1.00 74.43 C ATOM 1011 CG PHE A 67 9.411 -2.531 7.502 1.00 21.33 C ATOM 1012 CD1 PHE A 67 8.349 -3.141 6.845 1.00 55.40 C ATOM 1013 CD2 PHE A 67 9.627 -2.838 8.839 1.00 5.24 C ATOM 1014 CE1 PHE A 67 7.530 -4.034 7.504 1.00 4.12 C ATOM 1015 CE2 PHE A 67 8.808 -3.728 9.499 1.00 33.15 C ATOM 1016 CZ PHE A 67 7.760 -4.327 8.832 1.00 21.24 C ATOM 0 H PHE A 67 11.962 -0.230 5.511 1.00 34.41 H new ATOM 0 HA PHE A 67 11.842 -3.007 6.296 1.00 2.41 H new ATOM 0 HB2 PHE A 67 10.872 -0.985 7.526 1.00 74.43 H new ATOM 0 HB3 PHE A 67 9.690 -0.841 6.241 1.00 74.43 H new ATOM 0 HD1 PHE A 67 8.163 -2.913 5.806 1.00 55.40 H new ATOM 0 HD2 PHE A 67 10.446 -2.374 9.368 1.00 5.24 H new ATOM 0 HE1 PHE A 67 6.710 -4.503 6.981 1.00 4.12 H new ATOM 0 HE2 PHE A 67 8.987 -3.957 10.539 1.00 33.15 H new ATOM 0 HZ PHE A 67 7.119 -5.026 9.350 1.00 21.24 H new ATOM 1026 N THR A 68 9.902 -1.948 3.810 1.00 74.54 N ATOM 1027 CA THR A 68 9.071 -2.379 2.672 1.00 71.33 C ATOM 1028 C THR A 68 9.821 -3.309 1.716 1.00 54.41 C ATOM 1029 O THR A 68 9.346 -4.402 1.395 1.00 30.11 O ATOM 1030 CB THR A 68 8.548 -1.169 1.857 1.00 33.12 C ATOM 1031 OG1 THR A 68 9.643 -0.335 1.448 1.00 31.34 O ATOM 1032 CG2 THR A 68 7.554 -0.344 2.667 1.00 61.33 C ATOM 0 H THR A 68 9.939 -0.936 3.934 1.00 74.54 H new ATOM 0 HA THR A 68 8.235 -2.922 3.113 1.00 71.33 H new ATOM 0 HB THR A 68 8.037 -1.558 0.976 1.00 33.12 H new ATOM 0 HG1 THR A 68 9.842 -0.497 0.502 1.00 31.34 H new ATOM 0 HG21 THR A 68 7.206 0.497 2.068 1.00 61.33 H new ATOM 0 HG22 THR A 68 6.705 -0.968 2.945 1.00 61.33 H new ATOM 0 HG23 THR A 68 8.040 0.029 3.568 1.00 61.33 H new ATOM 1040 N LEU A 69 10.994 -2.870 1.269 1.00 42.21 N ATOM 1041 CA LEU A 69 11.792 -3.631 0.305 1.00 14.40 C ATOM 1042 C LEU A 69 12.037 -5.076 0.777 1.00 2.02 C ATOM 1043 O LEU A 69 11.713 -6.026 0.069 1.00 21.11 O ATOM 1044 CB LEU A 69 13.131 -2.924 0.043 1.00 13.42 C ATOM 1045 CG LEU A 69 14.011 -3.565 -1.046 1.00 3.30 C ATOM 1046 CD1 LEU A 69 13.274 -3.621 -2.383 1.00 71.53 C ATOM 1047 CD2 LEU A 69 15.332 -2.809 -1.189 1.00 5.21 C ATOM 0 H LEU A 69 11.417 -1.988 1.559 1.00 42.21 H new ATOM 0 HA LEU A 69 11.224 -3.679 -0.624 1.00 14.40 H new ATOM 0 HB2 LEU A 69 12.929 -1.891 -0.238 1.00 13.42 H new ATOM 0 HB3 LEU A 69 13.697 -2.896 0.974 1.00 13.42 H new ATOM 0 HG LEU A 69 14.233 -4.587 -0.740 1.00 3.30 H new ATOM 0 HD11 LEU A 69 13.918 -4.078 -3.134 1.00 71.53 H new ATOM 0 HD12 LEU A 69 12.366 -4.214 -2.274 1.00 71.53 H new ATOM 0 HD13 LEU A 69 13.011 -2.611 -2.696 1.00 71.53 H new ATOM 0 HD21 LEU A 69 15.938 -3.279 -1.964 1.00 5.21 H new ATOM 0 HD22 LEU A 69 15.131 -1.774 -1.464 1.00 5.21 H new ATOM 0 HD23 LEU A 69 15.870 -2.835 -0.242 1.00 5.21 H new ATOM 1059 N LYS A 70 12.582 -5.242 1.982 1.00 74.21 N ATOM 1060 CA LYS A 70 12.917 -6.579 2.497 1.00 72.31 C ATOM 1061 C LYS A 70 11.678 -7.482 2.638 1.00 1.02 C ATOM 1062 O LYS A 70 11.738 -8.677 2.336 1.00 31.45 O ATOM 1063 CB LYS A 70 13.656 -6.486 3.840 1.00 10.51 C ATOM 1064 CG LYS A 70 15.062 -5.898 3.730 1.00 60.33 C ATOM 1065 CD LYS A 70 15.917 -6.233 4.951 1.00 62.43 C ATOM 1066 CE LYS A 70 15.379 -5.602 6.228 1.00 45.04 C ATOM 1067 NZ LYS A 70 15.479 -4.121 6.203 1.00 5.40 N ATOM 0 H LYS A 70 12.801 -4.476 2.619 1.00 74.21 H new ATOM 0 HA LYS A 70 13.577 -7.037 1.760 1.00 72.31 H new ATOM 0 HB2 LYS A 70 13.069 -5.875 4.526 1.00 10.51 H new ATOM 0 HB3 LYS A 70 13.722 -7.482 4.278 1.00 10.51 H new ATOM 0 HG2 LYS A 70 15.546 -6.281 2.832 1.00 60.33 H new ATOM 0 HG3 LYS A 70 14.995 -4.816 3.620 1.00 60.33 H new ATOM 0 HD2 LYS A 70 15.961 -7.315 5.074 1.00 62.43 H new ATOM 0 HD3 LYS A 70 16.938 -5.890 4.782 1.00 62.43 H new ATOM 0 HE2 LYS A 70 14.337 -5.893 6.365 1.00 45.04 H new ATOM 0 HE3 LYS A 70 15.933 -5.988 7.084 1.00 45.04 H new ATOM 0 HZ1 LYS A 70 15.041 -3.729 7.061 1.00 5.40 H new ATOM 0 HZ2 LYS A 70 16.480 -3.841 6.167 1.00 5.40 H new ATOM 0 HZ3 LYS A 70 14.987 -3.754 5.364 1.00 5.40 H new ATOM 1081 N LEU A 71 10.563 -6.917 3.101 1.00 41.40 N ATOM 1082 CA LEU A 71 9.308 -7.675 3.219 1.00 14.45 C ATOM 1083 C LEU A 71 8.831 -8.157 1.837 1.00 75.14 C ATOM 1084 O LEU A 71 8.461 -9.319 1.656 1.00 23.14 O ATOM 1085 CB LEU A 71 8.225 -6.808 3.883 1.00 15.33 C ATOM 1086 CG LEU A 71 6.840 -7.467 4.032 1.00 42.22 C ATOM 1087 CD1 LEU A 71 6.921 -8.727 4.890 1.00 63.21 C ATOM 1088 CD2 LEU A 71 5.831 -6.481 4.620 1.00 44.03 C ATOM 0 H LEU A 71 10.498 -5.944 3.400 1.00 41.40 H new ATOM 0 HA LEU A 71 9.492 -8.550 3.843 1.00 14.45 H new ATOM 0 HB2 LEU A 71 8.576 -6.515 4.873 1.00 15.33 H new ATOM 0 HB3 LEU A 71 8.111 -5.893 3.302 1.00 15.33 H new ATOM 0 HG LEU A 71 6.499 -7.756 3.038 1.00 42.22 H new ATOM 0 HD11 LEU A 71 5.930 -9.171 4.978 1.00 63.21 H new ATOM 0 HD12 LEU A 71 7.599 -9.442 4.424 1.00 63.21 H new ATOM 0 HD13 LEU A 71 7.293 -8.469 5.882 1.00 63.21 H new ATOM 0 HD21 LEU A 71 4.860 -6.968 4.716 1.00 44.03 H new ATOM 0 HD22 LEU A 71 6.172 -6.154 5.602 1.00 44.03 H new ATOM 0 HD23 LEU A 71 5.740 -5.617 3.961 1.00 44.03 H new ATOM 1100 N ALA A 72 8.872 -7.260 0.861 1.00 3.05 N ATOM 1101 CA ALA A 72 8.471 -7.587 -0.507 1.00 13.30 C ATOM 1102 C ALA A 72 9.480 -8.522 -1.199 1.00 35.21 C ATOM 1103 O ALA A 72 9.106 -9.325 -2.060 1.00 42.15 O ATOM 1104 CB ALA A 72 8.296 -6.307 -1.304 1.00 43.44 C ATOM 0 H ALA A 72 9.180 -6.296 0.989 1.00 3.05 H new ATOM 0 HA ALA A 72 7.523 -8.122 -0.461 1.00 13.30 H new ATOM 0 HB1 ALA A 72 7.997 -6.551 -2.323 1.00 43.44 H new ATOM 0 HB2 ALA A 72 7.527 -5.691 -0.838 1.00 43.44 H new ATOM 0 HB3 ALA A 72 9.238 -5.759 -1.323 1.00 43.44 H new ATOM 1110 N ARG A 73 10.755 -8.414 -0.818 1.00 31.51 N ATOM 1111 CA ARG A 73 11.811 -9.272 -1.373 1.00 24.45 C ATOM 1112 C ARG A 73 11.599 -10.746 -1.003 1.00 3.12 C ATOM 1113 O ARG A 73 11.656 -11.623 -1.867 1.00 2.23 O ATOM 1114 CB ARG A 73 13.197 -8.822 -0.886 1.00 20.44 C ATOM 1115 CG ARG A 73 13.721 -7.554 -1.553 1.00 32.31 C ATOM 1116 CD ARG A 73 15.126 -7.213 -1.069 1.00 4.22 C ATOM 1117 NE ARG A 73 16.049 -8.330 -1.265 1.00 11.41 N ATOM 1118 CZ ARG A 73 17.220 -8.429 -0.702 1.00 51.41 C ATOM 1119 NH1 ARG A 73 17.681 -7.482 0.051 1.00 11.14 N ATOM 1120 NH2 ARG A 73 17.942 -9.483 -0.906 1.00 40.10 N ATOM 0 H ARG A 73 11.084 -7.740 -0.126 1.00 31.51 H new ATOM 0 HA ARG A 73 11.759 -9.175 -2.457 1.00 24.45 H new ATOM 0 HB2 ARG A 73 13.155 -8.660 0.191 1.00 20.44 H new ATOM 0 HB3 ARG A 73 13.909 -9.629 -1.059 1.00 20.44 H new ATOM 0 HG2 ARG A 73 13.729 -7.686 -2.635 1.00 32.31 H new ATOM 0 HG3 ARG A 73 13.049 -6.723 -1.339 1.00 32.31 H new ATOM 0 HD2 ARG A 73 15.494 -6.338 -1.605 1.00 4.22 H new ATOM 0 HD3 ARG A 73 15.093 -6.949 -0.012 1.00 4.22 H new ATOM 0 HE ARG A 73 15.756 -9.084 -1.886 1.00 11.41 H new ATOM 0 HH11 ARG A 73 17.125 -6.642 0.211 1.00 11.14 H new ATOM 0 HH12 ARG A 73 18.600 -7.576 0.484 1.00 11.14 H new ATOM 0 HH21 ARG A 73 17.594 -10.231 -1.505 1.00 40.10 H new ATOM 0 HH22 ARG A 73 18.859 -9.565 -0.468 1.00 40.10 H new ATOM 1134 N GLN A 74 11.359 -11.015 0.279 1.00 45.33 N ATOM 1135 CA GLN A 74 11.162 -12.393 0.747 1.00 35.34 C ATOM 1136 C GLN A 74 9.877 -13.009 0.160 1.00 54.10 C ATOM 1137 O GLN A 74 9.814 -14.215 -0.091 1.00 51.24 O ATOM 1138 CB GLN A 74 11.131 -12.445 2.280 1.00 72.12 C ATOM 1139 CG GLN A 74 9.913 -11.777 2.902 1.00 3.23 C ATOM 1140 CD GLN A 74 9.925 -11.833 4.414 1.00 40.51 C ATOM 1141 OE1 GLN A 74 9.452 -12.783 5.015 1.00 14.51 O ATOM 1142 NE2 GLN A 74 10.468 -10.817 5.044 1.00 5.41 N ATOM 0 H GLN A 74 11.296 -10.306 1.010 1.00 45.33 H new ATOM 0 HA GLN A 74 12.007 -12.985 0.395 1.00 35.34 H new ATOM 0 HB2 GLN A 74 11.162 -13.487 2.598 1.00 72.12 H new ATOM 0 HB3 GLN A 74 12.031 -11.967 2.667 1.00 72.12 H new ATOM 0 HG2 GLN A 74 9.871 -10.736 2.581 1.00 3.23 H new ATOM 0 HG3 GLN A 74 9.009 -12.261 2.532 1.00 3.23 H new ATOM 0 HE21 GLN A 74 10.856 -10.036 4.514 1.00 5.41 H new ATOM 0 HE22 GLN A 74 10.502 -10.808 6.063 1.00 5.41 H new ATOM 1151 N TRP A 75 8.855 -12.178 -0.055 1.00 2.43 N ATOM 1152 CA TRP A 75 7.627 -12.617 -0.736 1.00 4.23 C ATOM 1153 C TRP A 75 7.864 -12.782 -2.248 1.00 61.22 C ATOM 1154 O TRP A 75 7.060 -13.393 -2.952 1.00 20.22 O ATOM 1155 CB TRP A 75 6.488 -11.613 -0.496 1.00 71.30 C ATOM 1156 CG TRP A 75 6.024 -11.534 0.933 1.00 65.35 C ATOM 1157 CD1 TRP A 75 6.475 -12.274 1.992 1.00 35.40 C ATOM 1158 CD2 TRP A 75 5.005 -10.670 1.457 1.00 13.14 C ATOM 1159 NE1 TRP A 75 5.807 -11.917 3.136 1.00 23.43 N ATOM 1160 CE2 TRP A 75 4.898 -10.937 2.834 1.00 15.32 C ATOM 1161 CE3 TRP A 75 4.176 -9.696 0.895 1.00 34.11 C ATOM 1162 CZ2 TRP A 75 3.997 -10.266 3.657 1.00 53.41 C ATOM 1163 CZ3 TRP A 75 3.280 -9.030 1.713 1.00 63.45 C ATOM 1164 CH2 TRP A 75 3.198 -9.318 3.081 1.00 75.41 C ATOM 0 H TRP A 75 8.850 -11.199 0.230 1.00 2.43 H new ATOM 0 HA TRP A 75 7.343 -13.584 -0.320 1.00 4.23 H new ATOM 0 HB2 TRP A 75 6.818 -10.624 -0.814 1.00 71.30 H new ATOM 0 HB3 TRP A 75 5.641 -11.884 -1.126 1.00 71.30 H new ATOM 0 HD1 TRP A 75 7.245 -13.029 1.936 1.00 35.40 H new ATOM 0 HE1 TRP A 75 5.962 -12.316 4.062 1.00 23.43 H new ATOM 0 HE3 TRP A 75 4.233 -9.467 -0.159 1.00 34.11 H new ATOM 0 HZ2 TRP A 75 3.932 -10.487 4.712 1.00 53.41 H new ATOM 0 HZ3 TRP A 75 2.633 -8.276 1.289 1.00 63.45 H new ATOM 0 HH2 TRP A 75 2.489 -8.780 3.693 1.00 75.41 H new ATOM 1175 N GLY A 76 8.970 -12.221 -2.737 1.00 42.22 N ATOM 1176 CA GLY A 76 9.309 -12.318 -4.154 1.00 74.41 C ATOM 1177 C GLY A 76 8.393 -11.493 -5.053 1.00 62.42 C ATOM 1178 O GLY A 76 8.214 -11.815 -6.229 1.00 12.42 O ATOM 0 H GLY A 76 9.642 -11.698 -2.176 1.00 42.22 H new ATOM 0 HA2 GLY A 76 10.338 -11.990 -4.297 1.00 74.41 H new ATOM 0 HA3 GLY A 76 9.262 -13.363 -4.461 1.00 74.41 H new ATOM 1182 N VAL A 77 7.822 -10.417 -4.507 1.00 41.44 N ATOM 1183 CA VAL A 77 6.861 -9.595 -5.252 1.00 43.35 C ATOM 1184 C VAL A 77 7.375 -8.162 -5.476 1.00 64.43 C ATOM 1185 O VAL A 77 7.935 -7.853 -6.524 1.00 43.25 O ATOM 1186 CB VAL A 77 5.499 -9.524 -4.530 1.00 70.32 C ATOM 1187 CG1 VAL A 77 4.469 -8.823 -5.406 1.00 14.43 C ATOM 1188 CG2 VAL A 77 5.021 -10.912 -4.115 1.00 43.13 C ATOM 0 H VAL A 77 8.006 -10.094 -3.557 1.00 41.44 H new ATOM 0 HA VAL A 77 6.737 -10.081 -6.220 1.00 43.35 H new ATOM 0 HB VAL A 77 5.625 -8.939 -3.619 1.00 70.32 H new ATOM 0 HG11 VAL A 77 3.514 -8.781 -4.882 1.00 14.43 H new ATOM 0 HG12 VAL A 77 4.807 -7.810 -5.626 1.00 14.43 H new ATOM 0 HG13 VAL A 77 4.348 -9.375 -6.338 1.00 14.43 H new ATOM 0 HG21 VAL A 77 4.059 -10.829 -3.609 1.00 43.13 H new ATOM 0 HG22 VAL A 77 4.913 -11.539 -5.000 1.00 43.13 H new ATOM 0 HG23 VAL A 77 5.749 -11.361 -3.439 1.00 43.13 H new ATOM 1256 N ASN A 82 12.353 -6.934 -9.337 1.00 11.12 N ATOM 1257 CA ASN A 82 11.354 -7.925 -9.770 1.00 14.54 C ATOM 1258 C ASN A 82 10.349 -7.294 -10.744 1.00 2.14 C ATOM 1259 O ASN A 82 10.346 -6.087 -10.958 1.00 53.35 O ATOM 1260 CB ASN A 82 10.599 -8.491 -8.559 1.00 25.11 C ATOM 1261 CG ASN A 82 9.767 -9.717 -8.902 1.00 32.52 C ATOM 1262 OD1 ASN A 82 10.101 -10.477 -9.804 1.00 50.34 O ATOM 1263 ND2 ASN A 82 8.679 -9.912 -8.193 1.00 21.42 N ATOM 0 HA ASN A 82 11.882 -8.733 -10.276 1.00 14.54 H new ATOM 0 HB2 ASN A 82 11.315 -8.750 -7.779 1.00 25.11 H new ATOM 0 HB3 ASN A 82 9.948 -7.719 -8.150 1.00 25.11 H new ATOM 0 HD21 ASN A 82 8.082 -10.716 -8.386 1.00 21.42 H new ATOM 0 HD22 ASN A 82 8.431 -9.259 -7.449 1.00 21.42 H new ATOM 1270 N ASN A 83 9.484 -8.109 -11.327 1.00 74.03 N ATOM 1271 CA ASN A 83 8.461 -7.603 -12.240 1.00 35.40 C ATOM 1272 C ASN A 83 7.040 -7.704 -11.647 1.00 62.52 C ATOM 1273 O ASN A 83 6.748 -8.596 -10.853 1.00 62.14 O ATOM 1274 CB ASN A 83 8.551 -8.347 -13.576 1.00 11.33 C ATOM 1275 CG ASN A 83 8.699 -9.861 -13.427 1.00 73.23 C ATOM 1276 OD1 ASN A 83 9.298 -10.513 -14.273 1.00 60.52 O ATOM 1277 ND2 ASN A 83 8.172 -10.437 -12.356 1.00 11.04 N ATOM 0 H ASN A 83 9.466 -9.119 -11.188 1.00 74.03 H new ATOM 0 HA ASN A 83 8.653 -6.542 -12.402 1.00 35.40 H new ATOM 0 HB2 ASN A 83 7.657 -8.134 -14.161 1.00 11.33 H new ATOM 0 HB3 ASN A 83 9.400 -7.961 -14.140 1.00 11.33 H new ATOM 0 HD21 ASN A 83 8.261 -11.444 -12.223 1.00 11.04 H new ATOM 0 HD22 ASN A 83 7.677 -9.873 -11.665 1.00 11.04 H new ATOM 1284 N ASN A 84 6.176 -6.758 -12.023 1.00 11.42 N ATOM 1285 CA ASN A 84 4.748 -6.769 -11.635 1.00 64.11 C ATOM 1286 C ASN A 84 4.538 -6.778 -10.113 1.00 14.32 C ATOM 1287 O ASN A 84 3.458 -7.117 -9.630 1.00 54.21 O ATOM 1288 CB ASN A 84 4.033 -7.976 -12.260 1.00 23.41 C ATOM 1289 CG ASN A 84 3.925 -7.879 -13.771 1.00 12.11 C ATOM 1290 OD1 ASN A 84 4.776 -7.296 -14.438 1.00 52.13 O ATOM 1291 ND2 ASN A 84 2.869 -8.438 -14.325 1.00 12.44 N ATOM 0 H ASN A 84 6.438 -5.961 -12.604 1.00 11.42 H new ATOM 0 HA ASN A 84 4.319 -5.842 -12.015 1.00 64.11 H new ATOM 0 HB2 ASN A 84 4.570 -8.887 -11.997 1.00 23.41 H new ATOM 0 HB3 ASN A 84 3.033 -8.061 -11.834 1.00 23.41 H new ATOM 0 HD21 ASN A 84 2.740 -8.394 -15.336 1.00 12.44 H new ATOM 0 HD22 ASN A 84 2.180 -8.915 -13.743 1.00 12.44 H new ATOM 1298 N GLY A 85 5.560 -6.383 -9.363 1.00 52.32 N ATOM 1299 CA GLY A 85 5.467 -6.395 -7.910 1.00 5.24 C ATOM 1300 C GLY A 85 5.323 -5.006 -7.299 1.00 51.03 C ATOM 1301 O GLY A 85 6.065 -4.086 -7.648 1.00 12.34 O ATOM 0 H GLY A 85 6.452 -6.054 -9.732 1.00 52.32 H new ATOM 0 HA2 GLY A 85 4.613 -7.004 -7.613 1.00 5.24 H new ATOM 0 HA3 GLY A 85 6.357 -6.873 -7.501 1.00 5.24 H new ATOM 1305 N LEU A 86 4.363 -4.858 -6.388 1.00 63.40 N ATOM 1306 CA LEU A 86 4.158 -3.598 -5.666 1.00 43.23 C ATOM 1307 C LEU A 86 3.650 -3.852 -4.238 1.00 3.01 C ATOM 1308 O LEU A 86 2.657 -4.554 -4.032 1.00 2.12 O ATOM 1309 CB LEU A 86 3.166 -2.710 -6.430 1.00 11.21 C ATOM 1310 CG LEU A 86 2.783 -1.389 -5.736 1.00 64.01 C ATOM 1311 CD1 LEU A 86 4.017 -0.549 -5.418 1.00 24.45 C ATOM 1312 CD2 LEU A 86 1.807 -0.595 -6.597 1.00 13.32 C ATOM 0 H LEU A 86 3.710 -5.598 -6.129 1.00 63.40 H new ATOM 0 HA LEU A 86 5.118 -3.087 -5.596 1.00 43.23 H new ATOM 0 HB2 LEU A 86 3.592 -2.477 -7.406 1.00 11.21 H new ATOM 0 HB3 LEU A 86 2.256 -3.283 -6.608 1.00 11.21 H new ATOM 0 HG LEU A 86 2.296 -1.639 -4.793 1.00 64.01 H new ATOM 0 HD11 LEU A 86 3.711 0.376 -4.929 1.00 24.45 H new ATOM 0 HD12 LEU A 86 4.677 -1.109 -4.756 1.00 24.45 H new ATOM 0 HD13 LEU A 86 4.545 -0.314 -6.342 1.00 24.45 H new ATOM 0 HD21 LEU A 86 1.548 0.335 -6.090 1.00 13.32 H new ATOM 0 HD22 LEU A 86 2.270 -0.368 -7.557 1.00 13.32 H new ATOM 0 HD23 LEU A 86 0.904 -1.183 -6.760 1.00 13.32 H new ATOM 1324 N LEU A 87 4.337 -3.279 -3.253 1.00 3.31 N ATOM 1325 CA LEU A 87 3.939 -3.427 -1.847 1.00 64.32 C ATOM 1326 C LEU A 87 3.637 -2.065 -1.203 1.00 21.24 C ATOM 1327 O LEU A 87 4.392 -1.108 -1.369 1.00 34.41 O ATOM 1328 CB LEU A 87 5.045 -4.144 -1.055 1.00 22.12 C ATOM 1329 CG LEU A 87 4.747 -4.364 0.440 1.00 54.42 C ATOM 1330 CD1 LEU A 87 3.531 -5.269 0.627 1.00 71.34 C ATOM 1331 CD2 LEU A 87 5.966 -4.944 1.154 1.00 4.44 C ATOM 0 H LEU A 87 5.170 -2.709 -3.397 1.00 3.31 H new ATOM 0 HA LEU A 87 3.028 -4.025 -1.820 1.00 64.32 H new ATOM 0 HB2 LEU A 87 5.231 -5.113 -1.518 1.00 22.12 H new ATOM 0 HB3 LEU A 87 5.965 -3.567 -1.144 1.00 22.12 H new ATOM 0 HG LEU A 87 4.519 -3.395 0.885 1.00 54.42 H new ATOM 0 HD11 LEU A 87 3.342 -5.409 1.691 1.00 71.34 H new ATOM 0 HD12 LEU A 87 2.660 -4.809 0.161 1.00 71.34 H new ATOM 0 HD13 LEU A 87 3.723 -6.236 0.163 1.00 71.34 H new ATOM 0 HD21 LEU A 87 5.734 -5.092 2.209 1.00 4.44 H new ATOM 0 HD22 LEU A 87 6.231 -5.901 0.703 1.00 4.44 H new ATOM 0 HD23 LEU A 87 6.805 -4.254 1.060 1.00 4.44 H new ATOM 1343 N LEU A 88 2.523 -1.993 -0.475 1.00 1.31 N ATOM 1344 CA LEU A 88 2.135 -0.784 0.265 1.00 3.04 C ATOM 1345 C LEU A 88 2.038 -1.075 1.771 1.00 23.22 C ATOM 1346 O LEU A 88 1.157 -1.808 2.215 1.00 50.33 O ATOM 1347 CB LEU A 88 0.788 -0.252 -0.253 1.00 24.31 C ATOM 1348 CG LEU A 88 0.202 0.940 0.531 1.00 31.12 C ATOM 1349 CD1 LEU A 88 1.153 2.132 0.497 1.00 61.52 C ATOM 1350 CD2 LEU A 88 -1.173 1.326 -0.015 1.00 52.24 C ATOM 0 H LEU A 88 1.864 -2.766 -0.379 1.00 1.31 H new ATOM 0 HA LEU A 88 2.902 -0.026 0.106 1.00 3.04 H new ATOM 0 HB2 LEU A 88 0.910 0.045 -1.295 1.00 24.31 H new ATOM 0 HB3 LEU A 88 0.064 -1.067 -0.237 1.00 24.31 H new ATOM 0 HG LEU A 88 0.080 0.634 1.570 1.00 31.12 H new ATOM 0 HD11 LEU A 88 0.718 2.960 1.056 1.00 61.52 H new ATOM 0 HD12 LEU A 88 2.105 1.851 0.947 1.00 61.52 H new ATOM 0 HD13 LEU A 88 1.316 2.438 -0.536 1.00 61.52 H new ATOM 0 HD21 LEU A 88 -1.567 2.169 0.553 1.00 52.24 H new ATOM 0 HD22 LEU A 88 -1.082 1.607 -1.064 1.00 52.24 H new ATOM 0 HD23 LEU A 88 -1.852 0.478 0.076 1.00 52.24 H new ATOM 1362 N VAL A 89 2.949 -0.502 2.555 1.00 4.33 N ATOM 1363 CA VAL A 89 2.946 -0.702 4.011 1.00 23.05 C ATOM 1364 C VAL A 89 2.587 0.591 4.759 1.00 65.42 C ATOM 1365 O VAL A 89 3.150 1.653 4.489 1.00 23.45 O ATOM 1366 CB VAL A 89 4.317 -1.224 4.519 1.00 4.14 C ATOM 1367 CG1 VAL A 89 4.310 -1.397 6.041 1.00 11.11 C ATOM 1368 CG2 VAL A 89 4.685 -2.538 3.831 1.00 41.33 C ATOM 0 H VAL A 89 3.697 0.102 2.213 1.00 4.33 H new ATOM 0 HA VAL A 89 2.183 -1.453 4.218 1.00 23.05 H new ATOM 0 HB VAL A 89 5.073 -0.480 4.266 1.00 4.14 H new ATOM 0 HG11 VAL A 89 5.282 -1.764 6.370 1.00 11.11 H new ATOM 0 HG12 VAL A 89 4.105 -0.437 6.515 1.00 11.11 H new ATOM 0 HG13 VAL A 89 3.538 -2.113 6.322 1.00 11.11 H new ATOM 0 HG21 VAL A 89 5.649 -2.885 4.202 1.00 41.33 H new ATOM 0 HG22 VAL A 89 3.923 -3.287 4.045 1.00 41.33 H new ATOM 0 HG23 VAL A 89 4.746 -2.380 2.754 1.00 41.33 H new ATOM 1378 N LEU A 90 1.640 0.488 5.689 1.00 52.22 N ATOM 1379 CA LEU A 90 1.229 1.616 6.533 1.00 12.13 C ATOM 1380 C LEU A 90 1.678 1.411 7.986 1.00 51.25 C ATOM 1381 O LEU A 90 1.352 0.401 8.611 1.00 12.30 O ATOM 1382 CB LEU A 90 -0.300 1.788 6.485 1.00 5.14 C ATOM 1383 CG LEU A 90 -0.893 2.732 7.552 1.00 11.50 C ATOM 1384 CD1 LEU A 90 -0.448 4.175 7.344 1.00 41.51 C ATOM 1385 CD2 LEU A 90 -2.416 2.636 7.581 1.00 32.21 C ATOM 0 H LEU A 90 1.135 -0.377 5.881 1.00 52.22 H new ATOM 0 HA LEU A 90 1.708 2.515 6.146 1.00 12.13 H new ATOM 0 HB2 LEU A 90 -0.576 2.162 5.499 1.00 5.14 H new ATOM 0 HB3 LEU A 90 -0.763 0.807 6.594 1.00 5.14 H new ATOM 0 HG LEU A 90 -0.509 2.407 8.519 1.00 11.50 H new ATOM 0 HD11 LEU A 90 -0.888 4.806 8.116 1.00 41.51 H new ATOM 0 HD12 LEU A 90 0.639 4.233 7.403 1.00 41.51 H new ATOM 0 HD13 LEU A 90 -0.777 4.519 6.363 1.00 41.51 H new ATOM 0 HD21 LEU A 90 -2.809 3.311 8.341 1.00 32.21 H new ATOM 0 HD22 LEU A 90 -2.817 2.915 6.606 1.00 32.21 H new ATOM 0 HD23 LEU A 90 -2.712 1.614 7.816 1.00 32.21 H new ATOM 1397 N VAL A 91 2.420 2.375 8.521 1.00 14.01 N ATOM 1398 CA VAL A 91 2.850 2.325 9.922 1.00 14.02 C ATOM 1399 C VAL A 91 2.037 3.308 10.777 1.00 72.33 C ATOM 1400 O VAL A 91 2.248 4.521 10.715 1.00 5.43 O ATOM 1401 CB VAL A 91 4.359 2.645 10.067 1.00 22.21 C ATOM 1402 CG1 VAL A 91 4.802 2.518 11.526 1.00 0.34 C ATOM 1403 CG2 VAL A 91 5.192 1.737 9.165 1.00 3.03 C ATOM 0 H VAL A 91 2.737 3.199 8.011 1.00 14.01 H new ATOM 0 HA VAL A 91 2.675 1.308 10.274 1.00 14.02 H new ATOM 0 HB VAL A 91 4.521 3.676 9.753 1.00 22.21 H new ATOM 0 HG11 VAL A 91 5.865 2.747 11.605 1.00 0.34 H new ATOM 0 HG12 VAL A 91 4.234 3.216 12.141 1.00 0.34 H new ATOM 0 HG13 VAL A 91 4.623 1.500 11.873 1.00 0.34 H new ATOM 0 HG21 VAL A 91 6.249 1.978 9.282 1.00 3.03 H new ATOM 0 HG22 VAL A 91 5.025 0.696 9.442 1.00 3.03 H new ATOM 0 HG23 VAL A 91 4.898 1.888 8.126 1.00 3.03 H new ATOM 1413 N LEU A 92 1.116 2.774 11.579 1.00 24.03 N ATOM 1414 CA LEU A 92 0.225 3.593 12.418 1.00 41.44 C ATOM 1415 C LEU A 92 1.014 4.506 13.381 1.00 71.51 C ATOM 1416 O LEU A 92 0.654 5.666 13.586 1.00 45.34 O ATOM 1417 CB LEU A 92 -0.728 2.676 13.204 1.00 74.03 C ATOM 1418 CG LEU A 92 -1.725 3.382 14.141 1.00 32.34 C ATOM 1419 CD1 LEU A 92 -2.639 4.322 13.360 1.00 74.41 C ATOM 1420 CD2 LEU A 92 -2.549 2.356 14.919 1.00 52.21 C ATOM 0 H LEU A 92 0.963 1.770 11.669 1.00 24.03 H new ATOM 0 HA LEU A 92 -0.352 4.245 11.762 1.00 41.44 H new ATOM 0 HB2 LEU A 92 -1.293 2.076 12.491 1.00 74.03 H new ATOM 0 HB3 LEU A 92 -0.129 1.986 13.798 1.00 74.03 H new ATOM 0 HG LEU A 92 -1.155 3.980 14.852 1.00 32.34 H new ATOM 0 HD11 LEU A 92 -3.333 4.808 14.046 1.00 74.41 H new ATOM 0 HD12 LEU A 92 -2.038 5.079 12.856 1.00 74.41 H new ATOM 0 HD13 LEU A 92 -3.200 3.752 12.619 1.00 74.41 H new ATOM 0 HD21 LEU A 92 -3.248 2.873 15.576 1.00 52.21 H new ATOM 0 HD22 LEU A 92 -3.104 1.729 14.220 1.00 52.21 H new ATOM 0 HD23 LEU A 92 -1.884 1.732 15.516 1.00 52.21 H new ATOM 1432 N ASP A 93 2.091 3.975 13.957 1.00 32.11 N ATOM 1433 CA ASP A 93 2.947 4.736 14.876 1.00 25.42 C ATOM 1434 C ASP A 93 3.585 5.966 14.197 1.00 0.14 C ATOM 1435 O ASP A 93 3.813 6.996 14.835 1.00 4.42 O ATOM 1436 CB ASP A 93 4.039 3.817 15.436 1.00 53.30 C ATOM 1437 CG ASP A 93 4.988 4.533 16.383 1.00 72.04 C ATOM 1438 OD1 ASP A 93 4.533 5.001 17.447 1.00 62.15 O ATOM 1439 OD2 ASP A 93 6.195 4.617 16.075 1.00 74.43 O ATOM 0 H ASP A 93 2.396 3.014 13.804 1.00 32.11 H new ATOM 0 HA ASP A 93 2.319 5.107 15.686 1.00 25.42 H new ATOM 0 HB2 ASP A 93 3.571 2.983 15.960 1.00 53.30 H new ATOM 0 HB3 ASP A 93 4.610 3.394 14.609 1.00 53.30 H new ATOM 1444 N GLN A 94 3.866 5.859 12.902 1.00 24.21 N ATOM 1445 CA GLN A 94 4.508 6.953 12.157 1.00 73.12 C ATOM 1446 C GLN A 94 3.505 7.686 11.240 1.00 13.20 C ATOM 1447 O GLN A 94 3.833 8.717 10.650 1.00 62.34 O ATOM 1448 CB GLN A 94 5.687 6.398 11.339 1.00 44.33 C ATOM 1449 CG GLN A 94 6.702 5.628 12.185 1.00 13.14 C ATOM 1450 CD GLN A 94 7.877 5.088 11.380 1.00 53.11 C ATOM 1451 OE1 GLN A 94 7.763 4.805 10.191 1.00 62.05 O ATOM 1452 NE2 GLN A 94 9.015 4.928 12.026 1.00 61.22 N ATOM 0 H GLN A 94 3.663 5.031 12.342 1.00 24.21 H new ATOM 0 HA GLN A 94 4.879 7.684 12.876 1.00 73.12 H new ATOM 0 HB2 GLN A 94 5.302 5.741 10.559 1.00 44.33 H new ATOM 0 HB3 GLN A 94 6.193 7.223 10.839 1.00 44.33 H new ATOM 0 HG2 GLN A 94 7.080 6.283 12.970 1.00 13.14 H new ATOM 0 HG3 GLN A 94 6.197 4.797 12.678 1.00 13.14 H new ATOM 0 HE21 GLN A 94 9.079 5.172 13.014 1.00 61.22 H new ATOM 0 HE22 GLN A 94 9.831 4.560 11.538 1.00 61.22 H new ATOM 1461 N ARG A 95 2.289 7.139 11.129 1.00 10.03 N ATOM 1462 CA ARG A 95 1.205 7.737 10.326 1.00 75.22 C ATOM 1463 C ARG A 95 1.622 7.987 8.865 1.00 63.13 C ATOM 1464 O ARG A 95 1.148 8.922 8.220 1.00 43.34 O ATOM 1465 CB ARG A 95 0.718 9.040 10.980 1.00 41.21 C ATOM 1466 CG ARG A 95 0.122 8.833 12.368 1.00 3.44 C ATOM 1467 CD ARG A 95 -0.561 10.092 12.888 1.00 61.43 C ATOM 1468 NE ARG A 95 0.380 11.185 13.117 1.00 54.32 N ATOM 1469 CZ ARG A 95 0.190 12.415 12.722 1.00 62.30 C ATOM 1470 NH1 ARG A 95 -0.870 12.739 12.053 1.00 22.30 N ATOM 1471 NH2 ARG A 95 1.062 13.324 13.003 1.00 42.03 N ATOM 0 H ARG A 95 2.024 6.269 11.592 1.00 10.03 H new ATOM 0 HA ARG A 95 0.386 7.018 10.301 1.00 75.22 H new ATOM 0 HB2 ARG A 95 1.553 9.737 11.051 1.00 41.21 H new ATOM 0 HB3 ARG A 95 -0.030 9.504 10.337 1.00 41.21 H new ATOM 0 HG2 ARG A 95 -0.599 8.016 12.335 1.00 3.44 H new ATOM 0 HG3 ARG A 95 0.910 8.535 13.060 1.00 3.44 H new ATOM 0 HD2 ARG A 95 -1.318 10.413 12.172 1.00 61.43 H new ATOM 0 HD3 ARG A 95 -1.079 9.862 13.819 1.00 61.43 H new ATOM 0 HE ARG A 95 1.243 10.974 13.619 1.00 54.32 H new ATOM 0 HH11 ARG A 95 -1.568 12.030 11.829 1.00 22.30 H new ATOM 0 HH12 ARG A 95 -1.007 13.703 11.750 1.00 22.30 H new ATOM 0 HH21 ARG A 95 1.899 13.081 13.533 1.00 42.03 H new ATOM 0 HH22 ARG A 95 0.914 14.285 12.695 1.00 42.03 H new ATOM 1485 N ARG A 96 2.477 7.117 8.336 1.00 65.21 N ATOM 1486 CA ARG A 96 2.970 7.253 6.960 1.00 32.34 C ATOM 1487 C ARG A 96 2.998 5.895 6.235 1.00 62.45 C ATOM 1488 O ARG A 96 2.972 4.837 6.871 1.00 41.44 O ATOM 1489 CB ARG A 96 4.375 7.872 6.960 1.00 2.53 C ATOM 1490 CG ARG A 96 5.412 7.043 7.712 1.00 41.41 C ATOM 1491 CD ARG A 96 6.799 7.671 7.649 1.00 61.25 C ATOM 1492 NE ARG A 96 7.805 6.852 8.323 1.00 43.44 N ATOM 1493 CZ ARG A 96 9.063 7.183 8.447 1.00 11.41 C ATOM 1494 NH1 ARG A 96 9.502 8.309 7.977 1.00 73.24 N ATOM 1495 NH2 ARG A 96 9.881 6.387 9.056 1.00 43.43 N ATOM 0 H ARG A 96 2.846 6.308 8.836 1.00 65.21 H new ATOM 0 HA ARG A 96 2.284 7.909 6.424 1.00 32.34 H new ATOM 0 HB2 ARG A 96 4.705 8.002 5.929 1.00 2.53 H new ATOM 0 HB3 ARG A 96 4.324 8.865 7.406 1.00 2.53 H new ATOM 0 HG2 ARG A 96 5.108 6.940 8.754 1.00 41.41 H new ATOM 0 HG3 ARG A 96 5.449 6.039 7.290 1.00 41.41 H new ATOM 0 HD2 ARG A 96 7.086 7.812 6.607 1.00 61.25 H new ATOM 0 HD3 ARG A 96 6.770 8.659 8.108 1.00 61.25 H new ATOM 0 HE ARG A 96 7.505 5.963 8.723 1.00 43.44 H new ATOM 0 HH11 ARG A 96 8.863 8.948 7.504 1.00 73.24 H new ATOM 0 HH12 ARG A 96 10.486 8.556 8.080 1.00 73.24 H new ATOM 0 HH21 ARG A 96 9.543 5.503 9.438 1.00 43.43 H new ATOM 0 HH22 ARG A 96 10.863 6.643 9.154 1.00 43.43 H new ATOM 1509 N VAL A 97 3.058 5.939 4.902 1.00 45.22 N ATOM 1510 CA VAL A 97 3.087 4.721 4.077 1.00 71.43 C ATOM 1511 C VAL A 97 4.204 4.786 3.025 1.00 24.24 C ATOM 1512 O VAL A 97 4.844 5.824 2.850 1.00 72.04 O ATOM 1513 CB VAL A 97 1.741 4.490 3.338 1.00 54.51 C ATOM 1514 CG1 VAL A 97 0.567 4.566 4.294 1.00 31.50 C ATOM 1515 CG2 VAL A 97 1.567 5.483 2.188 1.00 20.52 C ATOM 0 H VAL A 97 3.088 6.806 4.366 1.00 45.22 H new ATOM 0 HA VAL A 97 3.269 3.895 4.764 1.00 71.43 H new ATOM 0 HB VAL A 97 1.766 3.485 2.918 1.00 54.51 H new ATOM 0 HG11 VAL A 97 -0.360 4.400 3.745 1.00 31.50 H new ATOM 0 HG12 VAL A 97 0.675 3.802 5.064 1.00 31.50 H new ATOM 0 HG13 VAL A 97 0.541 5.551 4.761 1.00 31.50 H new ATOM 0 HG21 VAL A 97 0.616 5.298 1.688 1.00 20.52 H new ATOM 0 HG22 VAL A 97 1.579 6.500 2.580 1.00 20.52 H new ATOM 0 HG23 VAL A 97 2.382 5.360 1.474 1.00 20.52 H new ATOM 1525 N ARG A 98 4.433 3.673 2.331 1.00 31.43 N ATOM 1526 CA ARG A 98 5.388 3.637 1.216 1.00 25.33 C ATOM 1527 C ARG A 98 5.018 2.565 0.179 1.00 51.45 C ATOM 1528 O ARG A 98 4.691 1.431 0.529 1.00 2.25 O ATOM 1529 CB ARG A 98 6.819 3.393 1.726 1.00 20.20 C ATOM 1530 CG ARG A 98 7.824 3.133 0.601 1.00 33.22 C ATOM 1531 CD ARG A 98 9.258 3.010 1.108 1.00 34.41 C ATOM 1532 NE ARG A 98 10.147 2.477 0.075 1.00 60.52 N ATOM 1533 CZ ARG A 98 11.039 3.171 -0.576 1.00 2.42 C ATOM 1534 NH1 ARG A 98 11.249 4.420 -0.297 1.00 21.12 N ATOM 1535 NH2 ARG A 98 11.737 2.603 -1.503 1.00 42.34 N ATOM 0 H ARG A 98 3.972 2.782 2.518 1.00 31.43 H new ATOM 0 HA ARG A 98 5.342 4.611 0.729 1.00 25.33 H new ATOM 0 HB2 ARG A 98 7.145 4.259 2.303 1.00 20.20 H new ATOM 0 HB3 ARG A 98 6.815 2.541 2.405 1.00 20.20 H new ATOM 0 HG2 ARG A 98 7.548 2.217 0.078 1.00 33.22 H new ATOM 0 HG3 ARG A 98 7.768 3.944 -0.125 1.00 33.22 H new ATOM 0 HD2 ARG A 98 9.617 3.988 1.429 1.00 34.41 H new ATOM 0 HD3 ARG A 98 9.282 2.359 1.982 1.00 34.41 H new ATOM 0 HE ARG A 98 10.063 1.487 -0.153 1.00 60.52 H new ATOM 0 HH11 ARG A 98 10.713 4.875 0.442 1.00 21.12 H new ATOM 0 HH12 ARG A 98 11.951 4.948 -0.816 1.00 21.12 H new ATOM 0 HH21 ARG A 98 11.589 1.618 -1.722 1.00 42.34 H new ATOM 0 HH22 ARG A 98 12.436 3.140 -2.016 1.00 42.34 H new ATOM 1549 N PHE A 99 5.064 2.949 -1.099 1.00 60.42 N ATOM 1550 CA PHE A 99 4.920 2.007 -2.215 1.00 61.20 C ATOM 1551 C PHE A 99 6.305 1.556 -2.711 1.00 0.21 C ATOM 1552 O PHE A 99 7.129 2.388 -3.090 1.00 41.44 O ATOM 1553 CB PHE A 99 4.172 2.656 -3.392 1.00 44.23 C ATOM 1554 CG PHE A 99 2.745 3.053 -3.112 1.00 30.10 C ATOM 1555 CD1 PHE A 99 1.706 2.161 -3.337 1.00 25.34 C ATOM 1556 CD2 PHE A 99 2.441 4.325 -2.653 1.00 2.21 C ATOM 1557 CE1 PHE A 99 0.394 2.531 -3.107 1.00 41.32 C ATOM 1558 CE2 PHE A 99 1.130 4.698 -2.418 1.00 43.51 C ATOM 1559 CZ PHE A 99 0.107 3.800 -2.646 1.00 2.31 C ATOM 0 H PHE A 99 5.201 3.917 -1.390 1.00 60.42 H new ATOM 0 HA PHE A 99 4.351 1.151 -1.852 1.00 61.20 H new ATOM 0 HB2 PHE A 99 4.723 3.543 -3.706 1.00 44.23 H new ATOM 0 HB3 PHE A 99 4.180 1.962 -4.232 1.00 44.23 H new ATOM 0 HD1 PHE A 99 1.925 1.166 -3.696 1.00 25.34 H new ATOM 0 HD2 PHE A 99 3.237 5.033 -2.477 1.00 2.21 H new ATOM 0 HE1 PHE A 99 -0.406 1.828 -3.288 1.00 41.32 H new ATOM 0 HE2 PHE A 99 0.907 5.691 -2.056 1.00 43.51 H new ATOM 0 HZ PHE A 99 -0.917 4.090 -2.464 1.00 2.31 H new ATOM 1569 N GLU A 100 6.564 0.254 -2.700 1.00 11.21 N ATOM 1570 CA GLU A 100 7.819 -0.284 -3.247 1.00 2.42 C ATOM 1571 C GLU A 100 7.546 -1.006 -4.579 1.00 42.41 C ATOM 1572 O GLU A 100 6.882 -2.047 -4.601 1.00 1.44 O ATOM 1573 CB GLU A 100 8.466 -1.252 -2.242 1.00 55.10 C ATOM 1574 CG GLU A 100 9.935 -1.569 -2.529 1.00 40.43 C ATOM 1575 CD GLU A 100 10.862 -0.395 -2.230 1.00 12.42 C ATOM 1576 OE1 GLU A 100 11.018 -0.046 -1.039 1.00 13.30 O ATOM 1577 OE2 GLU A 100 11.435 0.194 -3.174 1.00 63.11 O ATOM 0 H GLU A 100 5.931 -0.451 -2.322 1.00 11.21 H new ATOM 0 HA GLU A 100 8.507 0.542 -3.428 1.00 2.42 H new ATOM 0 HB2 GLU A 100 8.387 -0.825 -1.242 1.00 55.10 H new ATOM 0 HB3 GLU A 100 7.900 -2.183 -2.237 1.00 55.10 H new ATOM 0 HG2 GLU A 100 10.240 -2.428 -1.932 1.00 40.43 H new ATOM 0 HG3 GLU A 100 10.043 -1.854 -3.576 1.00 40.43 H new ATOM 1584 N THR A 101 8.045 -0.446 -5.683 1.00 61.33 N ATOM 1585 CA THR A 101 7.809 -1.011 -7.022 1.00 60.13 C ATOM 1586 C THR A 101 8.980 -1.851 -7.521 1.00 51.53 C ATOM 1587 O THR A 101 10.141 -1.587 -7.212 1.00 2.41 O ATOM 1588 CB THR A 101 7.527 0.089 -8.088 1.00 45.34 C ATOM 1589 OG1 THR A 101 8.090 1.348 -7.688 1.00 55.15 O ATOM 1590 CG2 THR A 101 6.035 0.242 -8.349 1.00 41.30 C ATOM 0 H THR A 101 8.616 0.399 -5.681 1.00 61.33 H new ATOM 0 HA THR A 101 6.931 -1.645 -6.902 1.00 60.13 H new ATOM 0 HB THR A 101 8.004 -0.229 -9.015 1.00 45.34 H new ATOM 0 HG1 THR A 101 8.044 1.979 -8.436 1.00 55.15 H new ATOM 0 HG21 THR A 101 5.874 1.018 -9.098 1.00 41.30 H new ATOM 0 HG22 THR A 101 5.630 -0.703 -8.713 1.00 41.30 H new ATOM 0 HG23 THR A 101 5.530 0.521 -7.424 1.00 41.30 H new ATOM 1598 N GLY A 102 8.650 -2.869 -8.308 1.00 51.31 N ATOM 1599 CA GLY A 102 9.661 -3.627 -9.019 1.00 73.42 C ATOM 1600 C GLY A 102 9.905 -3.099 -10.421 1.00 4.23 C ATOM 1601 O GLY A 102 9.165 -2.243 -10.920 1.00 45.41 O ATOM 0 H GLY A 102 7.693 -3.184 -8.466 1.00 51.31 H new ATOM 0 HA2 GLY A 102 10.594 -3.599 -8.456 1.00 73.42 H new ATOM 0 HA3 GLY A 102 9.354 -4.671 -9.076 1.00 73.42 H new ATOM 1605 N TYR A 103 10.917 -3.649 -11.068 1.00 64.31 N ATOM 1606 CA TYR A 103 11.305 -3.258 -12.419 1.00 64.11 C ATOM 1607 C TYR A 103 10.129 -3.353 -13.404 1.00 15.05 C ATOM 1608 O TYR A 103 10.027 -2.571 -14.352 1.00 12.31 O ATOM 1609 CB TYR A 103 12.458 -4.162 -12.868 1.00 50.10 C ATOM 1610 CG TYR A 103 12.768 -4.086 -14.341 1.00 53.11 C ATOM 1611 CD1 TYR A 103 13.501 -3.032 -14.868 1.00 20.14 C ATOM 1612 CD2 TYR A 103 12.326 -5.079 -15.201 1.00 74.54 C ATOM 1613 CE1 TYR A 103 13.787 -2.971 -16.218 1.00 73.30 C ATOM 1614 CE2 TYR A 103 12.604 -5.027 -16.550 1.00 21.22 C ATOM 1615 CZ TYR A 103 13.337 -3.972 -17.055 1.00 23.40 C ATOM 1616 OH TYR A 103 13.627 -3.923 -18.401 1.00 5.44 O ATOM 0 H TYR A 103 11.500 -4.386 -10.671 1.00 64.31 H new ATOM 0 HA TYR A 103 11.621 -2.215 -12.410 1.00 64.11 H new ATOM 0 HB2 TYR A 103 13.353 -3.896 -12.306 1.00 50.10 H new ATOM 0 HB3 TYR A 103 12.216 -5.194 -12.612 1.00 50.10 H new ATOM 0 HD1 TYR A 103 13.853 -2.248 -14.213 1.00 20.14 H new ATOM 0 HD2 TYR A 103 11.755 -5.907 -14.808 1.00 74.54 H new ATOM 0 HE1 TYR A 103 14.359 -2.146 -16.616 1.00 73.30 H new ATOM 0 HE2 TYR A 103 12.250 -5.807 -17.208 1.00 21.22 H new ATOM 0 HH TYR A 103 13.238 -4.703 -18.848 1.00 5.44 H new ATOM 1626 N GLY A 104 9.227 -4.298 -13.149 1.00 13.42 N ATOM 1627 CA GLY A 104 8.099 -4.530 -14.046 1.00 61.12 C ATOM 1628 C GLY A 104 7.097 -3.381 -14.065 1.00 75.13 C ATOM 1629 O GLY A 104 6.304 -3.253 -14.996 1.00 2.52 O ATOM 0 H GLY A 104 9.255 -4.911 -12.334 1.00 13.42 H new ATOM 0 HA2 GLY A 104 8.475 -4.692 -15.056 1.00 61.12 H new ATOM 0 HA3 GLY A 104 7.587 -5.444 -13.746 1.00 61.12 H new ATOM 1633 N LEU A 105 7.137 -2.543 -13.032 1.00 53.15 N ATOM 1634 CA LEU A 105 6.200 -1.422 -12.899 1.00 23.14 C ATOM 1635 C LEU A 105 6.921 -0.067 -12.914 1.00 72.24 C ATOM 1636 O LEU A 105 6.276 0.974 -12.940 1.00 22.31 O ATOM 1637 CB LEU A 105 5.404 -1.566 -11.596 1.00 64.10 C ATOM 1638 CG LEU A 105 4.553 -2.842 -11.482 1.00 33.40 C ATOM 1639 CD1 LEU A 105 3.888 -2.927 -10.113 1.00 21.40 C ATOM 1640 CD2 LEU A 105 3.504 -2.896 -12.591 1.00 53.31 C ATOM 0 H LEU A 105 7.810 -2.617 -12.270 1.00 53.15 H new ATOM 0 HA LEU A 105 5.526 -1.450 -13.755 1.00 23.14 H new ATOM 0 HB2 LEU A 105 6.101 -1.539 -10.759 1.00 64.10 H new ATOM 0 HB3 LEU A 105 4.748 -0.702 -11.493 1.00 64.10 H new ATOM 0 HG LEU A 105 5.215 -3.700 -11.596 1.00 33.40 H new ATOM 0 HD11 LEU A 105 3.291 -3.837 -10.054 1.00 21.40 H new ATOM 0 HD12 LEU A 105 4.653 -2.944 -9.337 1.00 21.40 H new ATOM 0 HD13 LEU A 105 3.243 -2.060 -9.967 1.00 21.40 H new ATOM 0 HD21 LEU A 105 2.914 -3.807 -12.490 1.00 53.31 H new ATOM 0 HD22 LEU A 105 2.848 -2.029 -12.514 1.00 53.31 H new ATOM 0 HD23 LEU A 105 4.000 -2.891 -13.562 1.00 53.31 H new ATOM 1652 N GLU A 106 8.254 -0.095 -12.927 1.00 52.41 N ATOM 1653 CA GLU A 106 9.081 1.122 -12.825 1.00 22.12 C ATOM 1654 C GLU A 106 8.628 2.210 -13.824 1.00 70.34 C ATOM 1655 O GLU A 106 8.509 3.385 -13.472 1.00 32.13 O ATOM 1656 CB GLU A 106 10.561 0.752 -13.066 1.00 50.55 C ATOM 1657 CG GLU A 106 11.586 1.653 -12.362 1.00 73.44 C ATOM 1658 CD GLU A 106 11.608 3.087 -12.875 1.00 31.34 C ATOM 1659 OE1 GLU A 106 11.890 3.289 -14.078 1.00 65.23 O ATOM 1660 OE2 GLU A 106 11.350 4.019 -12.082 1.00 50.32 O ATOM 0 H GLU A 106 8.796 -0.956 -13.008 1.00 52.41 H new ATOM 0 HA GLU A 106 8.961 1.536 -11.824 1.00 22.12 H new ATOM 0 HB2 GLU A 106 10.719 -0.275 -12.738 1.00 50.55 H new ATOM 0 HB3 GLU A 106 10.755 0.778 -14.138 1.00 50.55 H new ATOM 0 HG2 GLU A 106 11.371 1.664 -11.293 1.00 73.44 H new ATOM 0 HG3 GLU A 106 12.579 1.220 -12.483 1.00 73.44 H new ATOM 1667 N GLY A 107 8.355 1.805 -15.063 1.00 2.43 N ATOM 1668 CA GLY A 107 7.978 2.758 -16.107 1.00 43.14 C ATOM 1669 C GLY A 107 6.580 3.362 -15.940 1.00 73.21 C ATOM 1670 O GLY A 107 6.311 4.462 -16.432 1.00 63.42 O ATOM 0 H GLY A 107 8.387 0.832 -15.368 1.00 2.43 H new ATOM 0 HA2 GLY A 107 8.709 3.566 -16.125 1.00 43.14 H new ATOM 0 HA3 GLY A 107 8.031 2.258 -17.074 1.00 43.14 H new ATOM 1674 N TYR A 108 5.688 2.650 -15.258 1.00 11.44 N ATOM 1675 CA TYR A 108 4.299 3.108 -15.081 1.00 2.43 C ATOM 1676 C TYR A 108 4.117 3.788 -13.718 1.00 75.22 C ATOM 1677 O TYR A 108 3.367 4.755 -13.580 1.00 25.55 O ATOM 1678 CB TYR A 108 3.329 1.921 -15.190 1.00 44.34 C ATOM 1679 CG TYR A 108 3.712 0.920 -16.263 1.00 71.35 C ATOM 1680 CD1 TYR A 108 3.779 1.291 -17.602 1.00 1.14 C ATOM 1681 CD2 TYR A 108 4.026 -0.392 -15.930 1.00 11.33 C ATOM 1682 CE1 TYR A 108 4.143 0.382 -18.574 1.00 63.31 C ATOM 1683 CE2 TYR A 108 4.394 -1.304 -16.895 1.00 31.21 C ATOM 1684 CZ TYR A 108 4.451 -0.914 -18.215 1.00 62.23 C ATOM 1685 OH TYR A 108 4.831 -1.817 -19.181 1.00 31.21 O ATOM 0 H TYR A 108 5.894 1.754 -14.816 1.00 11.44 H new ATOM 0 HA TYR A 108 4.081 3.830 -15.868 1.00 2.43 H new ATOM 0 HB2 TYR A 108 3.284 1.410 -14.228 1.00 44.34 H new ATOM 0 HB3 TYR A 108 2.328 2.299 -15.398 1.00 44.34 H new ATOM 0 HD1 TYR A 108 3.542 2.306 -17.885 1.00 1.14 H new ATOM 0 HD2 TYR A 108 3.981 -0.702 -14.897 1.00 11.33 H new ATOM 0 HE1 TYR A 108 4.187 0.683 -19.610 1.00 63.31 H new ATOM 0 HE2 TYR A 108 4.637 -2.319 -16.618 1.00 31.21 H new ATOM 0 HH TYR A 108 5.014 -2.685 -18.764 1.00 31.21 H new ATOM 1695 N LEU A 109 4.826 3.267 -12.723 1.00 2.41 N ATOM 1696 CA LEU A 109 4.749 3.752 -11.344 1.00 23.13 C ATOM 1697 C LEU A 109 6.149 4.093 -10.809 1.00 11.14 C ATOM 1698 O LEU A 109 6.717 3.343 -10.006 1.00 35.23 O ATOM 1699 CB LEU A 109 4.108 2.682 -10.448 1.00 2.24 C ATOM 1700 CG LEU A 109 2.687 2.253 -10.836 1.00 24.00 C ATOM 1701 CD1 LEU A 109 2.285 0.991 -10.077 1.00 73.15 C ATOM 1702 CD2 LEU A 109 1.692 3.380 -10.578 1.00 11.13 C ATOM 0 H LEU A 109 5.476 2.491 -12.848 1.00 2.41 H new ATOM 0 HA LEU A 109 4.138 4.654 -11.332 1.00 23.13 H new ATOM 0 HB2 LEU A 109 4.748 1.800 -10.453 1.00 2.24 H new ATOM 0 HB3 LEU A 109 4.088 3.056 -9.424 1.00 2.24 H new ATOM 0 HG LEU A 109 2.675 2.030 -11.903 1.00 24.00 H new ATOM 0 HD11 LEU A 109 1.274 0.700 -10.364 1.00 73.15 H new ATOM 0 HD12 LEU A 109 2.977 0.185 -10.319 1.00 73.15 H new ATOM 0 HD13 LEU A 109 2.316 1.186 -9.005 1.00 73.15 H new ATOM 0 HD21 LEU A 109 0.691 3.053 -10.860 1.00 11.13 H new ATOM 0 HD22 LEU A 109 1.704 3.640 -9.520 1.00 11.13 H new ATOM 0 HD23 LEU A 109 1.969 4.253 -11.169 1.00 11.13 H new ATOM 1714 N PRO A 110 6.742 5.207 -11.268 1.00 40.24 N ATOM 1715 CA PRO A 110 8.071 5.629 -10.808 1.00 2.31 C ATOM 1716 C PRO A 110 8.047 6.185 -9.374 1.00 33.44 C ATOM 1717 O PRO A 110 7.013 6.664 -8.894 1.00 44.24 O ATOM 1718 CB PRO A 110 8.461 6.715 -11.821 1.00 63.13 C ATOM 1719 CG PRO A 110 7.160 7.280 -12.284 1.00 64.03 C ATOM 1720 CD PRO A 110 6.177 6.137 -12.265 1.00 33.51 C ATOM 0 HA PRO A 110 8.778 4.801 -10.765 1.00 2.31 H new ATOM 0 HB2 PRO A 110 9.085 7.481 -11.361 1.00 63.13 H new ATOM 0 HB3 PRO A 110 9.030 6.297 -12.651 1.00 63.13 H new ATOM 0 HG2 PRO A 110 6.831 8.088 -11.630 1.00 64.03 H new ATOM 0 HG3 PRO A 110 7.252 7.699 -13.286 1.00 64.03 H new ATOM 0 HD2 PRO A 110 5.179 6.471 -11.981 1.00 33.51 H new ATOM 0 HD3 PRO A 110 6.089 5.668 -13.245 1.00 33.51 H new ATOM 1728 N ASP A 111 9.199 6.129 -8.706 1.00 11.50 N ATOM 1729 CA ASP A 111 9.339 6.568 -7.311 1.00 55.03 C ATOM 1730 C ASP A 111 8.685 7.944 -7.051 1.00 24.42 C ATOM 1731 O ASP A 111 7.952 8.121 -6.073 1.00 75.41 O ATOM 1732 CB ASP A 111 10.830 6.598 -6.952 1.00 41.24 C ATOM 1733 CG ASP A 111 11.638 7.411 -7.949 1.00 5.21 C ATOM 1734 OD1 ASP A 111 11.909 6.901 -9.061 1.00 41.52 O ATOM 1735 OD2 ASP A 111 11.972 8.575 -7.640 1.00 11.43 O ATOM 0 H ASP A 111 10.065 5.778 -9.115 1.00 11.50 H new ATOM 0 HA ASP A 111 8.812 5.857 -6.675 1.00 55.03 H new ATOM 0 HB2 ASP A 111 10.955 7.020 -5.955 1.00 41.24 H new ATOM 0 HB3 ASP A 111 11.215 5.579 -6.918 1.00 41.24 H new ATOM 1740 N GLY A 112 8.937 8.902 -7.941 1.00 74.34 N ATOM 1741 CA GLY A 112 8.351 10.234 -7.812 1.00 4.24 C ATOM 1742 C GLY A 112 6.823 10.236 -7.860 1.00 14.20 C ATOM 1743 O GLY A 112 6.173 10.982 -7.124 1.00 53.33 O ATOM 0 H GLY A 112 9.540 8.782 -8.755 1.00 74.34 H new ATOM 0 HA2 GLY A 112 8.677 10.676 -6.871 1.00 4.24 H new ATOM 0 HA3 GLY A 112 8.732 10.869 -8.612 1.00 4.24 H new ATOM 1747 N LEU A 113 6.245 9.401 -8.726 1.00 20.53 N ATOM 1748 CA LEU A 113 4.785 9.289 -8.840 1.00 22.33 C ATOM 1749 C LEU A 113 4.176 8.676 -7.571 1.00 34.25 C ATOM 1750 O LEU A 113 3.192 9.186 -7.030 1.00 73.15 O ATOM 1751 CB LEU A 113 4.400 8.440 -10.064 1.00 71.33 C ATOM 1752 CG LEU A 113 2.893 8.176 -10.241 1.00 1.05 C ATOM 1753 CD1 LEU A 113 2.119 9.486 -10.370 1.00 34.32 C ATOM 1754 CD2 LEU A 113 2.640 7.278 -11.448 1.00 13.14 C ATOM 0 H LEU A 113 6.763 8.792 -9.359 1.00 20.53 H new ATOM 0 HA LEU A 113 4.386 10.295 -8.965 1.00 22.33 H new ATOM 0 HB2 LEU A 113 4.772 8.937 -10.960 1.00 71.33 H new ATOM 0 HB3 LEU A 113 4.913 7.481 -9.995 1.00 71.33 H new ATOM 0 HG LEU A 113 2.535 7.660 -9.350 1.00 1.05 H new ATOM 0 HD11 LEU A 113 1.058 9.271 -10.494 1.00 34.32 H new ATOM 0 HD12 LEU A 113 2.265 10.085 -9.471 1.00 34.32 H new ATOM 0 HD13 LEU A 113 2.481 10.039 -11.237 1.00 34.32 H new ATOM 0 HD21 LEU A 113 1.569 7.104 -11.554 1.00 13.14 H new ATOM 0 HD22 LEU A 113 3.020 7.762 -12.348 1.00 13.14 H new ATOM 0 HD23 LEU A 113 3.150 6.325 -11.306 1.00 13.14 H new ATOM 1766 N LEU A 114 4.772 7.582 -7.104 1.00 1.33 N ATOM 1767 CA LEU A 114 4.327 6.920 -5.874 1.00 34.15 C ATOM 1768 C LEU A 114 4.378 7.890 -4.682 1.00 21.41 C ATOM 1769 O LEU A 114 3.445 7.961 -3.882 1.00 75.34 O ATOM 1770 CB LEU A 114 5.202 5.691 -5.595 1.00 74.32 C ATOM 1771 CG LEU A 114 5.183 4.612 -6.691 1.00 23.12 C ATOM 1772 CD1 LEU A 114 6.165 3.492 -6.364 1.00 33.10 C ATOM 1773 CD2 LEU A 114 3.771 4.058 -6.880 1.00 45.34 C ATOM 0 H LEU A 114 5.567 7.132 -7.558 1.00 1.33 H new ATOM 0 HA LEU A 114 3.294 6.600 -6.008 1.00 34.15 H new ATOM 0 HB2 LEU A 114 6.230 6.022 -5.451 1.00 74.32 H new ATOM 0 HB3 LEU A 114 4.878 5.240 -4.657 1.00 74.32 H new ATOM 0 HG LEU A 114 5.495 5.073 -7.628 1.00 23.12 H new ATOM 0 HD11 LEU A 114 6.135 2.740 -7.152 1.00 33.10 H new ATOM 0 HD12 LEU A 114 7.173 3.901 -6.291 1.00 33.10 H new ATOM 0 HD13 LEU A 114 5.890 3.033 -5.414 1.00 33.10 H new ATOM 0 HD21 LEU A 114 3.780 3.296 -7.660 1.00 45.34 H new ATOM 0 HD22 LEU A 114 3.425 3.616 -5.945 1.00 45.34 H new ATOM 0 HD23 LEU A 114 3.099 4.866 -7.170 1.00 45.34 H new ATOM 1785 N SER A 115 5.471 8.649 -4.593 1.00 24.43 N ATOM 1786 CA SER A 115 5.638 9.665 -3.543 1.00 74.41 C ATOM 1787 C SER A 115 4.531 10.730 -3.626 1.00 4.11 C ATOM 1788 O SER A 115 3.986 11.163 -2.604 1.00 33.41 O ATOM 1789 CB SER A 115 7.018 10.334 -3.659 1.00 50.12 C ATOM 1790 OG SER A 115 7.213 11.307 -2.638 1.00 13.24 O ATOM 0 H SER A 115 6.259 8.582 -5.237 1.00 24.43 H new ATOM 0 HA SER A 115 5.565 9.165 -2.577 1.00 74.41 H new ATOM 0 HB2 SER A 115 7.798 9.575 -3.594 1.00 50.12 H new ATOM 0 HB3 SER A 115 7.114 10.807 -4.637 1.00 50.12 H new ATOM 0 HG SER A 115 8.099 11.713 -2.738 1.00 13.24 H new ATOM 1796 N ARG A 116 4.204 11.144 -4.850 1.00 34.31 N ATOM 1797 CA ARG A 116 3.096 12.076 -5.098 1.00 74.05 C ATOM 1798 C ARG A 116 1.762 11.524 -4.560 1.00 65.22 C ATOM 1799 O ARG A 116 1.073 12.185 -3.781 1.00 23.24 O ATOM 1800 CB ARG A 116 2.980 12.353 -6.605 1.00 42.21 C ATOM 1801 CG ARG A 116 1.771 13.198 -6.995 1.00 1.44 C ATOM 1802 CD ARG A 116 1.667 13.380 -8.506 1.00 71.53 C ATOM 1803 NE ARG A 116 2.792 14.143 -9.045 1.00 10.53 N ATOM 1804 CZ ARG A 116 3.722 13.644 -9.815 1.00 44.30 C ATOM 1805 NH1 ARG A 116 3.722 12.386 -10.118 1.00 60.30 N ATOM 1806 NH2 ARG A 116 4.656 14.409 -10.278 1.00 13.23 N ATOM 0 H ARG A 116 4.694 10.847 -5.694 1.00 34.31 H new ATOM 0 HA ARG A 116 3.310 13.005 -4.569 1.00 74.05 H new ATOM 0 HB2 ARG A 116 3.886 12.858 -6.941 1.00 42.21 H new ATOM 0 HB3 ARG A 116 2.930 11.402 -7.135 1.00 42.21 H new ATOM 0 HG2 ARG A 116 0.862 12.725 -6.623 1.00 1.44 H new ATOM 0 HG3 ARG A 116 1.841 14.175 -6.516 1.00 1.44 H new ATOM 0 HD2 ARG A 116 1.628 12.403 -8.987 1.00 71.53 H new ATOM 0 HD3 ARG A 116 0.734 13.891 -8.746 1.00 71.53 H new ATOM 0 HE ARG A 116 2.855 15.132 -8.803 1.00 10.53 H new ATOM 0 HH11 ARG A 116 2.991 11.774 -9.755 1.00 60.30 H new ATOM 0 HH12 ARG A 116 4.453 12.006 -10.720 1.00 60.30 H new ATOM 0 HH21 ARG A 116 4.666 15.401 -10.042 1.00 13.23 H new ATOM 0 HH22 ARG A 116 5.382 14.020 -10.879 1.00 13.23 H new ATOM 1820 N ILE A 117 1.411 10.306 -4.978 1.00 54.20 N ATOM 1821 CA ILE A 117 0.177 9.651 -4.523 1.00 2.32 C ATOM 1822 C ILE A 117 0.082 9.648 -2.989 1.00 44.30 C ATOM 1823 O ILE A 117 -0.953 10.007 -2.415 1.00 20.31 O ATOM 1824 CB ILE A 117 0.086 8.190 -5.037 1.00 45.41 C ATOM 1825 CG1 ILE A 117 0.100 8.163 -6.577 1.00 61.22 C ATOM 1826 CG2 ILE A 117 -1.167 7.500 -4.490 1.00 51.51 C ATOM 1827 CD1 ILE A 117 0.104 6.768 -7.175 1.00 45.41 C ATOM 0 H ILE A 117 1.963 9.751 -5.632 1.00 54.20 H new ATOM 0 HA ILE A 117 -0.653 10.225 -4.935 1.00 2.32 H new ATOM 0 HB ILE A 117 0.956 7.641 -4.676 1.00 45.41 H new ATOM 0 HG12 ILE A 117 -0.772 8.702 -6.947 1.00 61.22 H new ATOM 0 HG13 ILE A 117 0.980 8.700 -6.931 1.00 61.22 H new ATOM 0 HG21 ILE A 117 -1.211 6.477 -4.863 1.00 51.51 H new ATOM 0 HG22 ILE A 117 -1.130 7.488 -3.401 1.00 51.51 H new ATOM 0 HG23 ILE A 117 -2.054 8.044 -4.817 1.00 51.51 H new ATOM 0 HD11 ILE A 117 0.114 6.838 -8.263 1.00 45.41 H new ATOM 0 HD12 ILE A 117 0.990 6.230 -6.838 1.00 45.41 H new ATOM 0 HD13 ILE A 117 -0.789 6.232 -6.854 1.00 45.41 H new ATOM 1839 N ILE A 118 1.175 9.260 -2.336 1.00 40.42 N ATOM 1840 CA ILE A 118 1.244 9.249 -0.872 1.00 42.41 C ATOM 1841 C ILE A 118 0.915 10.628 -0.286 1.00 3.51 C ATOM 1842 O ILE A 118 0.063 10.756 0.593 1.00 4.52 O ATOM 1843 CB ILE A 118 2.651 8.819 -0.372 1.00 11.22 C ATOM 1844 CG1 ILE A 118 2.975 7.391 -0.839 1.00 45.10 C ATOM 1845 CG2 ILE A 118 2.741 8.922 1.154 1.00 73.01 C ATOM 1846 CD1 ILE A 118 4.368 6.923 -0.468 1.00 25.23 C ATOM 0 H ILE A 118 2.029 8.947 -2.797 1.00 40.42 H new ATOM 0 HA ILE A 118 0.503 8.525 -0.533 1.00 42.41 H new ATOM 0 HB ILE A 118 3.388 9.497 -0.801 1.00 11.22 H new ATOM 0 HG12 ILE A 118 2.246 6.705 -0.409 1.00 45.10 H new ATOM 0 HG13 ILE A 118 2.862 7.339 -1.922 1.00 45.10 H new ATOM 0 HG21 ILE A 118 3.735 8.616 1.481 1.00 73.01 H new ATOM 0 HG22 ILE A 118 2.559 9.952 1.461 1.00 73.01 H new ATOM 0 HG23 ILE A 118 1.993 8.271 1.607 1.00 73.01 H new ATOM 0 HD11 ILE A 118 4.520 5.907 -0.832 1.00 25.23 H new ATOM 0 HD12 ILE A 118 5.107 7.585 -0.920 1.00 25.23 H new ATOM 0 HD13 ILE A 118 4.481 6.940 0.616 1.00 25.23 H new ATOM 1858 N HIS A 119 1.573 11.664 -0.795 1.00 72.11 N ATOM 1859 CA HIS A 119 1.471 12.996 -0.196 1.00 64.01 C ATOM 1860 C HIS A 119 0.189 13.743 -0.613 1.00 1.01 C ATOM 1861 O HIS A 119 -0.218 14.695 0.054 1.00 74.14 O ATOM 1862 CB HIS A 119 2.711 13.835 -0.539 1.00 63.45 C ATOM 1863 CG HIS A 119 3.139 14.736 0.584 1.00 33.45 C ATOM 1864 ND1 HIS A 119 2.350 15.755 1.081 1.00 14.11 N ATOM 1865 CD2 HIS A 119 4.261 14.734 1.345 1.00 63.15 C ATOM 1866 CE1 HIS A 119 2.966 16.331 2.096 1.00 70.42 C ATOM 1867 NE2 HIS A 119 4.124 15.732 2.274 1.00 24.24 N ATOM 0 H HIS A 119 2.179 11.612 -1.614 1.00 72.11 H new ATOM 0 HA HIS A 119 1.417 12.851 0.883 1.00 64.01 H new ATOM 0 HB2 HIS A 119 3.534 13.168 -0.796 1.00 63.45 H new ATOM 0 HB3 HIS A 119 2.502 14.439 -1.422 1.00 63.45 H new ATOM 0 HD1 HIS A 119 1.434 16.021 0.720 1.00 14.11 H new ATOM 0 HD2 HIS A 119 5.106 14.069 1.239 1.00 63.15 H new ATOM 0 HE1 HIS A 119 2.584 17.154 2.681 1.00 70.42 H new ATOM 1876 N ASP A 120 -0.445 13.323 -1.708 1.00 61.51 N ATOM 1877 CA ASP A 120 -1.652 14.003 -2.203 1.00 25.32 C ATOM 1878 C ASP A 120 -2.957 13.258 -1.868 1.00 15.22 C ATOM 1879 O ASP A 120 -3.920 13.871 -1.414 1.00 63.43 O ATOM 1880 CB ASP A 120 -1.551 14.239 -3.714 1.00 13.01 C ATOM 1881 CG ASP A 120 -0.533 15.311 -4.051 1.00 63.24 C ATOM 1882 OD1 ASP A 120 -0.656 16.436 -3.517 1.00 40.31 O ATOM 1883 OD2 ASP A 120 0.382 15.050 -4.855 1.00 31.11 O ATOM 0 H ASP A 120 -0.150 12.523 -2.268 1.00 61.51 H new ATOM 0 HA ASP A 120 -1.699 14.959 -1.682 1.00 25.32 H new ATOM 0 HB2 ASP A 120 -1.276 13.308 -4.209 1.00 13.01 H new ATOM 0 HB3 ASP A 120 -2.527 14.530 -4.102 1.00 13.01 H new ATOM 1888 N ARG A 121 -3.006 11.948 -2.096 1.00 74.42 N ATOM 1889 CA ARG A 121 -4.255 11.192 -1.898 1.00 71.01 C ATOM 1890 C ARG A 121 -4.228 10.303 -0.643 1.00 75.21 C ATOM 1891 O ARG A 121 -5.173 9.558 -0.396 1.00 15.11 O ATOM 1892 CB ARG A 121 -4.563 10.337 -3.138 1.00 65.50 C ATOM 1893 CG ARG A 121 -4.767 11.158 -4.409 1.00 64.21 C ATOM 1894 CD ARG A 121 -5.191 10.293 -5.593 1.00 74.41 C ATOM 1895 NE ARG A 121 -6.510 9.688 -5.398 1.00 74.04 N ATOM 1896 CZ ARG A 121 -7.183 9.073 -6.335 1.00 62.44 C ATOM 1897 NH1 ARG A 121 -6.706 8.985 -7.540 1.00 70.21 N ATOM 1898 NH2 ARG A 121 -8.340 8.563 -6.065 1.00 2.21 N ATOM 0 H ARG A 121 -2.214 11.389 -2.413 1.00 74.42 H new ATOM 0 HA ARG A 121 -5.044 11.929 -1.750 1.00 71.01 H new ATOM 0 HB2 ARG A 121 -3.746 9.634 -3.297 1.00 65.50 H new ATOM 0 HB3 ARG A 121 -5.459 9.746 -2.949 1.00 65.50 H new ATOM 0 HG2 ARG A 121 -5.525 11.921 -4.229 1.00 64.21 H new ATOM 0 HG3 ARG A 121 -3.842 11.679 -4.655 1.00 64.21 H new ATOM 0 HD2 ARG A 121 -5.203 10.901 -6.498 1.00 74.41 H new ATOM 0 HD3 ARG A 121 -4.453 9.506 -5.748 1.00 74.41 H new ATOM 0 HE ARG A 121 -6.931 9.750 -4.471 1.00 74.04 H new ATOM 0 HH11 ARG A 121 -5.800 9.398 -7.761 1.00 70.21 H new ATOM 0 HH12 ARG A 121 -7.238 8.503 -8.265 1.00 70.21 H new ATOM 0 HH21 ARG A 121 -8.725 8.641 -5.124 1.00 2.21 H new ATOM 0 HH22 ARG A 121 -8.868 8.082 -6.793 1.00 2.21 H new ATOM 1912 N MET A 122 -3.158 10.374 0.151 1.00 11.30 N ATOM 1913 CA MET A 122 -3.070 9.564 1.380 1.00 73.52 C ATOM 1914 C MET A 122 -2.796 10.421 2.639 1.00 44.24 C ATOM 1915 O MET A 122 -3.519 10.319 3.634 1.00 24.33 O ATOM 1916 CB MET A 122 -1.991 8.482 1.217 1.00 50.50 C ATOM 1917 CG MET A 122 -2.131 7.673 -0.071 1.00 61.15 C ATOM 1918 SD MET A 122 -1.006 6.265 -0.147 1.00 45.24 S ATOM 1919 CE MET A 122 -1.755 5.164 1.051 1.00 31.24 C ATOM 0 H MET A 122 -2.350 10.971 -0.025 1.00 11.30 H new ATOM 0 HA MET A 122 -4.041 9.091 1.529 1.00 73.52 H new ATOM 0 HB2 MET A 122 -1.009 8.954 1.236 1.00 50.50 H new ATOM 0 HB3 MET A 122 -2.035 7.804 2.069 1.00 50.50 H new ATOM 0 HG2 MET A 122 -3.157 7.316 -0.159 1.00 61.15 H new ATOM 0 HG3 MET A 122 -1.946 8.325 -0.925 1.00 61.15 H new ATOM 0 HE1 MET A 122 -1.082 4.329 1.248 1.00 31.24 H new ATOM 0 HE2 MET A 122 -1.941 5.707 1.978 1.00 31.24 H new ATOM 0 HE3 MET A 122 -2.698 4.785 0.657 1.00 31.24 H new ATOM 1929 N ILE A 123 -1.760 11.265 2.590 1.00 65.12 N ATOM 1930 CA ILE A 123 -1.375 12.118 3.736 1.00 24.45 C ATOM 1931 C ILE A 123 -2.555 12.943 4.308 1.00 54.42 C ATOM 1932 O ILE A 123 -2.772 12.934 5.524 1.00 30.13 O ATOM 1933 CB ILE A 123 -0.198 13.068 3.364 1.00 10.24 C ATOM 1934 CG1 ILE A 123 1.115 12.275 3.208 1.00 62.41 C ATOM 1935 CG2 ILE A 123 -0.029 14.183 4.400 1.00 30.51 C ATOM 1936 CD1 ILE A 123 1.616 11.649 4.492 1.00 10.52 C ATOM 0 H ILE A 123 -1.167 11.381 1.769 1.00 65.12 H new ATOM 0 HA ILE A 123 -1.052 11.431 4.518 1.00 24.45 H new ATOM 0 HB ILE A 123 -0.440 13.533 2.408 1.00 10.24 H new ATOM 0 HG12 ILE A 123 0.966 11.489 2.467 1.00 62.41 H new ATOM 0 HG13 ILE A 123 1.884 12.941 2.817 1.00 62.41 H new ATOM 0 HG21 ILE A 123 0.801 14.827 4.109 1.00 30.51 H new ATOM 0 HG22 ILE A 123 -0.944 14.772 4.453 1.00 30.51 H new ATOM 0 HG23 ILE A 123 0.177 13.744 5.376 1.00 30.51 H new ATOM 0 HD11 ILE A 123 2.543 11.110 4.296 1.00 10.52 H new ATOM 0 HD12 ILE A 123 1.799 12.430 5.230 1.00 10.52 H new ATOM 0 HD13 ILE A 123 0.867 10.956 4.875 1.00 10.52 H new ATOM 1948 N PRO A 124 -3.339 13.667 3.466 1.00 11.14 N ATOM 1949 CA PRO A 124 -4.496 14.452 3.948 1.00 62.24 C ATOM 1950 C PRO A 124 -5.496 13.601 4.751 1.00 35.44 C ATOM 1951 O PRO A 124 -6.175 14.101 5.651 1.00 41.42 O ATOM 1952 CB PRO A 124 -5.144 14.988 2.655 1.00 14.54 C ATOM 1953 CG PRO A 124 -4.570 14.154 1.559 1.00 44.41 C ATOM 1954 CD PRO A 124 -3.180 13.800 2.006 1.00 35.23 C ATOM 0 HA PRO A 124 -4.188 15.240 4.636 1.00 62.24 H new ATOM 0 HB2 PRO A 124 -6.230 14.898 2.691 1.00 14.54 H new ATOM 0 HB3 PRO A 124 -4.916 16.044 2.508 1.00 14.54 H new ATOM 0 HG2 PRO A 124 -5.169 13.258 1.394 1.00 44.41 H new ATOM 0 HG3 PRO A 124 -4.551 14.703 0.618 1.00 44.41 H new ATOM 0 HD2 PRO A 124 -2.830 12.874 1.550 1.00 35.23 H new ATOM 0 HD3 PRO A 124 -2.460 14.576 1.745 1.00 35.23 H new ATOM 1962 N HIS A 125 -5.575 12.311 4.426 1.00 73.51 N ATOM 1963 CA HIS A 125 -6.443 11.385 5.156 1.00 45.55 C ATOM 1964 C HIS A 125 -5.835 11.029 6.518 1.00 60.44 C ATOM 1965 O HIS A 125 -6.498 11.143 7.550 1.00 54.03 O ATOM 1966 CB HIS A 125 -6.680 10.109 4.340 1.00 71.44 C ATOM 1967 CG HIS A 125 -7.406 10.336 3.048 1.00 23.23 C ATOM 1968 ND1 HIS A 125 -8.776 10.280 2.976 1.00 50.30 N ATOM 1969 CD2 HIS A 125 -6.910 10.588 1.815 1.00 2.43 C ATOM 1970 CE1 HIS A 125 -9.080 10.494 1.710 1.00 35.33 C ATOM 1971 NE2 HIS A 125 -7.982 10.689 0.968 1.00 15.53 N ATOM 0 H HIS A 125 -5.050 11.883 3.663 1.00 73.51 H new ATOM 0 HA HIS A 125 -7.400 11.880 5.320 1.00 45.55 H new ATOM 0 HB2 HIS A 125 -5.718 9.643 4.127 1.00 71.44 H new ATOM 0 HB3 HIS A 125 -7.249 9.404 4.945 1.00 71.44 H new ATOM 0 HD1 HIS A 125 -9.425 10.108 3.744 1.00 50.30 H new ATOM 0 HD2 HIS A 125 -5.868 10.690 1.549 1.00 2.43 H new ATOM 0 HE1 HIS A 125 -10.087 10.510 1.321 1.00 35.33 H new ATOM 1979 N PHE A 126 -4.566 10.622 6.517 1.00 13.44 N ATOM 1980 CA PHE A 126 -3.873 10.231 7.755 1.00 51.21 C ATOM 1981 C PHE A 126 -3.877 11.366 8.787 1.00 61.14 C ATOM 1982 O PHE A 126 -4.097 11.134 9.976 1.00 43.53 O ATOM 1983 CB PHE A 126 -2.429 9.807 7.456 1.00 13.42 C ATOM 1984 CG PHE A 126 -2.321 8.672 6.467 1.00 24.22 C ATOM 1985 CD1 PHE A 126 -3.206 7.602 6.516 1.00 73.42 C ATOM 1986 CD2 PHE A 126 -1.343 8.679 5.484 1.00 40.40 C ATOM 1987 CE1 PHE A 126 -3.116 6.569 5.606 1.00 70.42 C ATOM 1988 CE2 PHE A 126 -1.251 7.646 4.572 1.00 53.24 C ATOM 1989 CZ PHE A 126 -2.138 6.590 4.633 1.00 33.13 C ATOM 0 H PHE A 126 -3.993 10.553 5.676 1.00 13.44 H new ATOM 0 HA PHE A 126 -4.416 9.385 8.177 1.00 51.21 H new ATOM 0 HB2 PHE A 126 -1.880 10.666 7.071 1.00 13.42 H new ATOM 0 HB3 PHE A 126 -1.946 9.512 8.388 1.00 13.42 H new ATOM 0 HD1 PHE A 126 -3.973 7.579 7.275 1.00 73.42 H new ATOM 0 HD2 PHE A 126 -0.645 9.502 5.431 1.00 40.40 H new ATOM 0 HE1 PHE A 126 -3.811 5.744 5.655 1.00 70.42 H new ATOM 0 HE2 PHE A 126 -0.485 7.664 3.811 1.00 53.24 H new ATOM 0 HZ PHE A 126 -2.067 5.782 3.920 1.00 33.13 H new ATOM 1999 N ARG A 127 -3.635 12.594 8.328 1.00 73.23 N ATOM 2000 CA ARG A 127 -3.687 13.771 9.206 1.00 21.23 C ATOM 2001 C ARG A 127 -5.096 13.966 9.790 1.00 23.33 C ATOM 2002 O ARG A 127 -5.254 14.387 10.936 1.00 55.15 O ATOM 2003 CB ARG A 127 -3.267 15.036 8.444 1.00 60.15 C ATOM 2004 CG ARG A 127 -1.829 15.005 7.938 1.00 23.01 C ATOM 2005 CD ARG A 127 -1.454 16.294 7.209 1.00 60.10 C ATOM 2006 NE ARG A 127 -1.482 17.464 8.092 1.00 31.12 N ATOM 2007 CZ ARG A 127 -1.238 18.692 7.699 1.00 31.02 C ATOM 2008 NH1 ARG A 127 -0.989 18.952 6.456 1.00 23.44 N ATOM 2009 NH2 ARG A 127 -1.270 19.661 8.556 1.00 32.45 N ATOM 0 H ARG A 127 -3.402 12.803 7.357 1.00 73.23 H new ATOM 0 HA ARG A 127 -2.990 13.599 10.026 1.00 21.23 H new ATOM 0 HB2 ARG A 127 -3.937 15.176 7.596 1.00 60.15 H new ATOM 0 HB3 ARG A 127 -3.393 15.900 9.097 1.00 60.15 H new ATOM 0 HG2 ARG A 127 -1.152 14.853 8.778 1.00 23.01 H new ATOM 0 HG3 ARG A 127 -1.699 14.157 7.266 1.00 23.01 H new ATOM 0 HD2 ARG A 127 -0.457 16.189 6.781 1.00 60.10 H new ATOM 0 HD3 ARG A 127 -2.142 16.452 6.379 1.00 60.10 H new ATOM 0 HE ARG A 127 -1.706 17.314 9.076 1.00 31.12 H new ATOM 0 HH11 ARG A 127 -0.981 18.198 5.769 1.00 23.44 H new ATOM 0 HH12 ARG A 127 -0.801 19.911 6.163 1.00 23.44 H new ATOM 0 HH21 ARG A 127 -1.485 19.469 9.535 1.00 32.45 H new ATOM 0 HH22 ARG A 127 -1.081 20.616 8.253 1.00 32.45 H new ATOM 2023 N SER A 128 -6.113 13.651 8.990 1.00 74.52 N ATOM 2024 CA SER A 128 -7.518 13.768 9.419 1.00 53.43 C ATOM 2025 C SER A 128 -7.979 12.536 10.221 1.00 53.34 C ATOM 2026 O SER A 128 -9.118 12.480 10.680 1.00 75.41 O ATOM 2027 CB SER A 128 -8.435 13.957 8.200 1.00 32.12 C ATOM 2028 OG SER A 128 -8.073 15.113 7.453 1.00 75.41 O ATOM 0 H SER A 128 -5.996 13.311 8.036 1.00 74.52 H new ATOM 0 HA SER A 128 -7.584 14.640 10.069 1.00 53.43 H new ATOM 0 HB2 SER A 128 -8.379 13.076 7.560 1.00 32.12 H new ATOM 0 HB3 SER A 128 -9.470 14.045 8.531 1.00 32.12 H new ATOM 0 HG SER A 128 -7.412 14.869 6.772 1.00 75.41 H new ATOM 2034 N GLY A 129 -7.091 11.552 10.377 1.00 45.32 N ATOM 2035 CA GLY A 129 -7.429 10.331 11.112 1.00 2.31 C ATOM 2036 C GLY A 129 -7.980 9.223 10.217 1.00 75.32 C ATOM 2037 O GLY A 129 -8.226 8.103 10.674 1.00 35.43 O ATOM 0 H GLY A 129 -6.140 11.575 10.008 1.00 45.32 H new ATOM 0 HA2 GLY A 129 -6.540 9.966 11.625 1.00 2.31 H new ATOM 0 HA3 GLY A 129 -8.165 10.569 11.880 1.00 2.31 H new ATOM 2041 N ASN A 130 -8.172 9.531 8.939 1.00 1.41 N ATOM 2042 CA ASN A 130 -8.711 8.570 7.974 1.00 65.30 C ATOM 2043 C ASN A 130 -7.617 7.619 7.457 1.00 72.50 C ATOM 2044 O ASN A 130 -7.246 7.659 6.281 1.00 23.20 O ATOM 2045 CB ASN A 130 -9.358 9.305 6.791 1.00 50.33 C ATOM 2046 CG ASN A 130 -10.436 10.286 7.211 1.00 45.11 C ATOM 2047 OD1 ASN A 130 -10.363 10.902 8.267 1.00 3.42 O ATOM 2048 ND2 ASN A 130 -11.451 10.435 6.386 1.00 33.02 N ATOM 0 H ASN A 130 -7.961 10.446 8.541 1.00 1.41 H new ATOM 0 HA ASN A 130 -9.467 7.976 8.488 1.00 65.30 H new ATOM 0 HB2 ASN A 130 -8.586 9.840 6.238 1.00 50.33 H new ATOM 0 HB3 ASN A 130 -9.789 8.572 6.109 1.00 50.33 H new ATOM 0 HD21 ASN A 130 -12.207 11.079 6.619 1.00 33.02 H new ATOM 0 HD22 ASN A 130 -11.481 9.907 5.514 1.00 33.02 H new ATOM 2055 N TYR A 131 -7.106 6.762 8.335 1.00 21.53 N ATOM 2056 CA TYR A 131 -6.027 5.831 7.972 1.00 62.13 C ATOM 2057 C TYR A 131 -6.458 4.860 6.862 1.00 34.32 C ATOM 2058 O TYR A 131 -5.742 4.662 5.878 1.00 4.41 O ATOM 2059 CB TYR A 131 -5.562 5.046 9.205 1.00 35.33 C ATOM 2060 CG TYR A 131 -4.902 5.911 10.263 1.00 43.04 C ATOM 2061 CD1 TYR A 131 -3.555 6.243 10.172 1.00 70.13 C ATOM 2062 CD2 TYR A 131 -5.623 6.394 11.351 1.00 12.21 C ATOM 2063 CE1 TYR A 131 -2.948 7.030 11.128 1.00 22.22 C ATOM 2064 CE2 TYR A 131 -5.023 7.183 12.313 1.00 25.32 C ATOM 2065 CZ TYR A 131 -3.685 7.499 12.198 1.00 53.10 C ATOM 2066 OH TYR A 131 -3.082 8.285 13.154 1.00 61.01 O ATOM 0 H TYR A 131 -7.417 6.688 9.304 1.00 21.53 H new ATOM 0 HA TYR A 131 -5.198 6.426 7.589 1.00 62.13 H new ATOM 0 HB2 TYR A 131 -6.419 4.538 9.646 1.00 35.33 H new ATOM 0 HB3 TYR A 131 -4.861 4.273 8.890 1.00 35.33 H new ATOM 0 HD1 TYR A 131 -2.974 5.878 9.338 1.00 70.13 H new ATOM 0 HD2 TYR A 131 -6.670 6.148 11.445 1.00 12.21 H new ATOM 0 HE1 TYR A 131 -1.901 7.279 11.040 1.00 22.22 H new ATOM 0 HE2 TYR A 131 -5.598 7.550 13.150 1.00 25.32 H new ATOM 0 HH TYR A 131 -3.740 8.531 13.837 1.00 61.01 H new ATOM 2076 N ALA A 132 -7.633 4.259 7.026 1.00 12.11 N ATOM 2077 CA ALA A 132 -8.166 3.319 6.036 1.00 51.13 C ATOM 2078 C ALA A 132 -8.487 4.015 4.703 1.00 72.44 C ATOM 2079 O ALA A 132 -8.263 3.458 3.628 1.00 10.24 O ATOM 2080 CB ALA A 132 -9.408 2.629 6.587 1.00 71.11 C ATOM 0 H ALA A 132 -8.237 4.404 7.835 1.00 12.11 H new ATOM 0 HA ALA A 132 -7.397 2.572 5.838 1.00 51.13 H new ATOM 0 HB1 ALA A 132 -9.797 1.932 5.844 1.00 71.11 H new ATOM 0 HB2 ALA A 132 -9.149 2.084 7.495 1.00 71.11 H new ATOM 0 HB3 ALA A 132 -10.168 3.376 6.817 1.00 71.11 H new ATOM 2086 N GLU A 133 -9.001 5.242 4.783 1.00 35.01 N ATOM 2087 CA GLU A 133 -9.379 6.002 3.585 1.00 22.03 C ATOM 2088 C GLU A 133 -8.148 6.381 2.749 1.00 43.43 C ATOM 2089 O GLU A 133 -8.184 6.325 1.517 1.00 45.22 O ATOM 2090 CB GLU A 133 -10.168 7.261 3.974 1.00 32.01 C ATOM 2091 CG GLU A 133 -11.399 6.977 4.831 1.00 74.43 C ATOM 2092 CD GLU A 133 -12.244 5.829 4.300 1.00 64.43 C ATOM 2093 OE1 GLU A 133 -12.947 6.015 3.284 1.00 34.21 O ATOM 2094 OE2 GLU A 133 -12.206 4.730 4.898 1.00 13.22 O ATOM 0 H GLU A 133 -9.166 5.733 5.662 1.00 35.01 H new ATOM 0 HA GLU A 133 -10.015 5.362 2.973 1.00 22.03 H new ATOM 0 HB2 GLU A 133 -9.508 7.939 4.516 1.00 32.01 H new ATOM 0 HB3 GLU A 133 -10.480 7.778 3.066 1.00 32.01 H new ATOM 0 HG2 GLU A 133 -11.081 6.746 5.848 1.00 74.43 H new ATOM 0 HG3 GLU A 133 -12.012 7.877 4.885 1.00 74.43 H new ATOM 2101 N GLY A 134 -7.061 6.757 3.425 1.00 12.03 N ATOM 2102 CA GLY A 134 -5.809 7.042 2.732 1.00 55.45 C ATOM 2103 C GLY A 134 -5.302 5.852 1.924 1.00 2.31 C ATOM 2104 O GLY A 134 -4.882 5.999 0.774 1.00 51.34 O ATOM 0 H GLY A 134 -7.024 6.869 4.438 1.00 12.03 H new ATOM 0 HA2 GLY A 134 -5.952 7.894 2.067 1.00 55.45 H new ATOM 0 HA3 GLY A 134 -5.052 7.330 3.461 1.00 55.45 H new ATOM 2108 N LEU A 135 -5.348 4.668 2.530 1.00 71.13 N ATOM 2109 CA LEU A 135 -4.965 3.430 1.843 1.00 33.50 C ATOM 2110 C LEU A 135 -5.860 3.171 0.620 1.00 32.41 C ATOM 2111 O LEU A 135 -5.370 2.827 -0.456 1.00 35.05 O ATOM 2112 CB LEU A 135 -5.038 2.240 2.809 1.00 12.15 C ATOM 2113 CG LEU A 135 -4.083 2.317 4.012 1.00 74.43 C ATOM 2114 CD1 LEU A 135 -4.262 1.105 4.921 1.00 43.52 C ATOM 2115 CD2 LEU A 135 -2.632 2.433 3.543 1.00 70.23 C ATOM 0 H LEU A 135 -5.647 4.536 3.496 1.00 71.13 H new ATOM 0 HA LEU A 135 -3.939 3.545 1.495 1.00 33.50 H new ATOM 0 HB2 LEU A 135 -6.059 2.156 3.180 1.00 12.15 H new ATOM 0 HB3 LEU A 135 -4.824 1.327 2.253 1.00 12.15 H new ATOM 0 HG LEU A 135 -4.328 3.211 4.585 1.00 74.43 H new ATOM 0 HD11 LEU A 135 -3.577 1.179 5.766 1.00 43.52 H new ATOM 0 HD12 LEU A 135 -5.288 1.073 5.288 1.00 43.52 H new ATOM 0 HD13 LEU A 135 -4.049 0.195 4.360 1.00 43.52 H new ATOM 0 HD21 LEU A 135 -1.973 2.486 4.409 1.00 70.23 H new ATOM 0 HD22 LEU A 135 -2.373 1.561 2.943 1.00 70.23 H new ATOM 0 HD23 LEU A 135 -2.515 3.335 2.942 1.00 70.23 H new ATOM 2127 N SER A 136 -7.169 3.344 0.795 1.00 15.24 N ATOM 2128 CA SER A 136 -8.134 3.174 -0.303 1.00 72.44 C ATOM 2129 C SER A 136 -7.788 4.060 -1.508 1.00 62.01 C ATOM 2130 O SER A 136 -7.739 3.586 -2.646 1.00 4.04 O ATOM 2131 CB SER A 136 -9.557 3.495 0.176 1.00 12.35 C ATOM 2132 OG SER A 136 -9.967 2.612 1.212 1.00 73.15 O ATOM 0 H SER A 136 -7.592 3.602 1.687 1.00 15.24 H new ATOM 0 HA SER A 136 -8.081 2.132 -0.619 1.00 72.44 H new ATOM 0 HB2 SER A 136 -9.598 4.523 0.535 1.00 12.35 H new ATOM 0 HB3 SER A 136 -10.250 3.422 -0.662 1.00 12.35 H new ATOM 0 HG SER A 136 -9.466 2.813 2.030 1.00 73.15 H new ATOM 2138 N GLU A 137 -7.542 5.344 -1.252 1.00 62.22 N ATOM 2139 CA GLU A 137 -7.195 6.293 -2.318 1.00 43.33 C ATOM 2140 C GLU A 137 -5.843 5.960 -2.966 1.00 4.34 C ATOM 2141 O GLU A 137 -5.694 6.054 -4.186 1.00 75.21 O ATOM 2142 CB GLU A 137 -7.181 7.726 -1.770 1.00 1.54 C ATOM 2143 CG GLU A 137 -8.567 8.282 -1.464 1.00 1.54 C ATOM 2144 CD GLU A 137 -9.437 8.384 -2.707 1.00 5.03 C ATOM 2145 OE1 GLU A 137 -9.180 9.277 -3.542 1.00 20.34 O ATOM 2146 OE2 GLU A 137 -10.369 7.569 -2.860 1.00 2.11 O ATOM 0 H GLU A 137 -7.575 5.754 -0.319 1.00 62.22 H new ATOM 0 HA GLU A 137 -7.959 6.210 -3.091 1.00 43.33 H new ATOM 0 HB2 GLU A 137 -6.581 7.751 -0.860 1.00 1.54 H new ATOM 0 HB3 GLU A 137 -6.690 8.377 -2.494 1.00 1.54 H new ATOM 0 HG2 GLU A 137 -9.059 7.642 -0.731 1.00 1.54 H new ATOM 0 HG3 GLU A 137 -8.468 9.268 -1.011 1.00 1.54 H new ATOM 2153 N GLY A 138 -4.861 5.579 -2.148 1.00 72.53 N ATOM 2154 CA GLY A 138 -3.560 5.170 -2.675 1.00 60.30 C ATOM 2155 C GLY A 138 -3.658 3.985 -3.637 1.00 34.42 C ATOM 2156 O GLY A 138 -3.138 4.033 -4.754 1.00 3.41 O ATOM 0 H GLY A 138 -4.940 5.545 -1.132 1.00 72.53 H new ATOM 0 HA2 GLY A 138 -3.100 6.013 -3.190 1.00 60.30 H new ATOM 0 HA3 GLY A 138 -2.904 4.906 -1.846 1.00 60.30 H new ATOM 2160 N VAL A 139 -4.339 2.928 -3.199 1.00 73.12 N ATOM 2161 CA VAL A 139 -4.559 1.738 -4.031 1.00 13.11 C ATOM 2162 C VAL A 139 -5.309 2.085 -5.324 1.00 64.41 C ATOM 2163 O VAL A 139 -4.887 1.713 -6.422 1.00 42.52 O ATOM 2164 CB VAL A 139 -5.364 0.663 -3.260 1.00 14.12 C ATOM 2165 CG1 VAL A 139 -5.665 -0.543 -4.152 1.00 11.15 C ATOM 2166 CG2 VAL A 139 -4.616 0.228 -2.001 1.00 63.31 C ATOM 0 H VAL A 139 -4.752 2.868 -2.268 1.00 73.12 H new ATOM 0 HA VAL A 139 -3.574 1.346 -4.285 1.00 13.11 H new ATOM 0 HB VAL A 139 -6.314 1.106 -2.960 1.00 14.12 H new ATOM 0 HG11 VAL A 139 -6.231 -1.282 -3.585 1.00 11.15 H new ATOM 0 HG12 VAL A 139 -6.249 -0.221 -5.014 1.00 11.15 H new ATOM 0 HG13 VAL A 139 -4.729 -0.986 -4.493 1.00 11.15 H new ATOM 0 HG21 VAL A 139 -5.199 -0.528 -1.474 1.00 63.31 H new ATOM 0 HG22 VAL A 139 -3.648 -0.189 -2.279 1.00 63.31 H new ATOM 0 HG23 VAL A 139 -4.467 1.090 -1.350 1.00 63.31 H new ATOM 2176 N LEU A 140 -6.427 2.797 -5.182 1.00 14.21 N ATOM 2177 CA LEU A 140 -7.242 3.202 -6.331 1.00 20.45 C ATOM 2178 C LEU A 140 -6.419 4.024 -7.332 1.00 31.03 C ATOM 2179 O LEU A 140 -6.470 3.782 -8.539 1.00 21.23 O ATOM 2180 CB LEU A 140 -8.462 4.013 -5.861 1.00 4.03 C ATOM 2181 CG LEU A 140 -9.426 4.466 -6.974 1.00 63.53 C ATOM 2182 CD1 LEU A 140 -10.020 3.260 -7.702 1.00 64.11 C ATOM 2183 CD2 LEU A 140 -10.532 5.350 -6.401 1.00 71.34 C ATOM 0 H LEU A 140 -6.791 3.107 -4.281 1.00 14.21 H new ATOM 0 HA LEU A 140 -7.586 2.298 -6.833 1.00 20.45 H new ATOM 0 HB2 LEU A 140 -9.021 3.413 -5.143 1.00 4.03 H new ATOM 0 HB3 LEU A 140 -8.107 4.896 -5.330 1.00 4.03 H new ATOM 0 HG LEU A 140 -8.859 5.053 -7.697 1.00 63.53 H new ATOM 0 HD11 LEU A 140 -10.697 3.604 -8.483 1.00 64.11 H new ATOM 0 HD12 LEU A 140 -9.218 2.674 -8.150 1.00 64.11 H new ATOM 0 HD13 LEU A 140 -10.569 2.641 -6.993 1.00 64.11 H new ATOM 0 HD21 LEU A 140 -11.202 5.660 -7.203 1.00 71.34 H new ATOM 0 HD22 LEU A 140 -11.094 4.791 -5.653 1.00 71.34 H new ATOM 0 HD23 LEU A 140 -10.090 6.232 -5.937 1.00 71.34 H new ATOM 2195 N ALA A 141 -5.649 4.983 -6.818 1.00 24.45 N ATOM 2196 CA ALA A 141 -4.818 5.851 -7.662 1.00 4.30 C ATOM 2197 C ALA A 141 -3.836 5.037 -8.517 1.00 51.21 C ATOM 2198 O ALA A 141 -3.717 5.253 -9.726 1.00 72.13 O ATOM 2199 CB ALA A 141 -4.062 6.857 -6.800 1.00 21.21 C ATOM 0 H ALA A 141 -5.581 5.181 -5.820 1.00 24.45 H new ATOM 0 HA ALA A 141 -5.480 6.388 -8.341 1.00 4.30 H new ATOM 0 HB1 ALA A 141 -3.450 7.495 -7.437 1.00 21.21 H new ATOM 0 HB2 ALA A 141 -4.774 7.471 -6.249 1.00 21.21 H new ATOM 0 HB3 ALA A 141 -3.422 6.325 -6.097 1.00 21.21 H new ATOM 2205 N VAL A 142 -3.136 4.102 -7.879 1.00 2.52 N ATOM 2206 CA VAL A 142 -2.200 3.216 -8.579 1.00 70.05 C ATOM 2207 C VAL A 142 -2.900 2.415 -9.689 1.00 41.13 C ATOM 2208 O VAL A 142 -2.454 2.408 -10.840 1.00 30.01 O ATOM 2209 CB VAL A 142 -1.522 2.234 -7.594 1.00 41.33 C ATOM 2210 CG1 VAL A 142 -0.671 1.214 -8.344 1.00 40.32 C ATOM 2211 CG2 VAL A 142 -0.678 2.993 -6.570 1.00 70.42 C ATOM 0 H VAL A 142 -3.198 3.935 -6.875 1.00 2.52 H new ATOM 0 HA VAL A 142 -1.442 3.854 -9.032 1.00 70.05 H new ATOM 0 HB VAL A 142 -2.305 1.695 -7.060 1.00 41.33 H new ATOM 0 HG11 VAL A 142 -0.204 0.535 -7.631 1.00 40.32 H new ATOM 0 HG12 VAL A 142 -1.302 0.646 -9.027 1.00 40.32 H new ATOM 0 HG13 VAL A 142 0.103 1.732 -8.911 1.00 40.32 H new ATOM 0 HG21 VAL A 142 -0.210 2.284 -5.887 1.00 70.42 H new ATOM 0 HG22 VAL A 142 0.094 3.563 -7.086 1.00 70.42 H new ATOM 0 HG23 VAL A 142 -1.316 3.674 -6.006 1.00 70.42 H new ATOM 2221 N GLN A 143 -3.992 1.739 -9.336 1.00 15.21 N ATOM 2222 CA GLN A 143 -4.777 0.969 -10.311 1.00 25.33 C ATOM 2223 C GLN A 143 -5.189 1.839 -11.513 1.00 3.41 C ATOM 2224 O GLN A 143 -5.127 1.398 -12.662 1.00 22.23 O ATOM 2225 CB GLN A 143 -6.023 0.375 -9.644 1.00 65.13 C ATOM 2226 CG GLN A 143 -6.877 -0.471 -10.585 1.00 3.15 C ATOM 2227 CD GLN A 143 -8.130 -1.009 -9.918 1.00 55.13 C ATOM 2228 OE1 GLN A 143 -8.156 -1.247 -8.719 1.00 31.34 O ATOM 2229 NE2 GLN A 143 -9.179 -1.215 -10.690 1.00 33.41 N ATOM 0 H GLN A 143 -4.357 1.706 -8.384 1.00 15.21 H new ATOM 0 HA GLN A 143 -4.146 0.159 -10.678 1.00 25.33 H new ATOM 0 HB2 GLN A 143 -5.714 -0.238 -8.798 1.00 65.13 H new ATOM 0 HB3 GLN A 143 -6.632 1.186 -9.245 1.00 65.13 H new ATOM 0 HG2 GLN A 143 -7.160 0.129 -11.450 1.00 3.15 H new ATOM 0 HG3 GLN A 143 -6.282 -1.305 -10.957 1.00 3.15 H new ATOM 0 HE21 GLN A 143 -9.127 -1.007 -11.687 1.00 33.41 H new ATOM 0 HE22 GLN A 143 -10.042 -1.582 -10.290 1.00 33.41 H new ATOM 2238 N GLN A 144 -5.606 3.075 -11.235 1.00 63.22 N ATOM 2239 CA GLN A 144 -5.968 4.033 -12.289 1.00 35.10 C ATOM 2240 C GLN A 144 -4.786 4.284 -13.242 1.00 42.33 C ATOM 2241 O GLN A 144 -4.945 4.253 -14.466 1.00 51.10 O ATOM 2242 CB GLN A 144 -6.447 5.355 -11.666 1.00 22.20 C ATOM 2243 CG GLN A 144 -7.754 5.220 -10.888 1.00 44.12 C ATOM 2244 CD GLN A 144 -8.141 6.481 -10.125 1.00 52.15 C ATOM 2245 OE1 GLN A 144 -7.291 7.255 -9.689 1.00 30.42 O ATOM 2246 NE2 GLN A 144 -9.428 6.693 -9.951 1.00 3.55 N ATOM 0 H GLN A 144 -5.703 3.440 -10.287 1.00 63.22 H new ATOM 0 HA GLN A 144 -6.783 3.603 -12.872 1.00 35.10 H new ATOM 0 HB2 GLN A 144 -5.673 5.735 -10.999 1.00 22.20 H new ATOM 0 HB3 GLN A 144 -6.578 6.094 -12.456 1.00 22.20 H new ATOM 0 HG2 GLN A 144 -8.555 4.964 -11.581 1.00 44.12 H new ATOM 0 HG3 GLN A 144 -7.665 4.392 -10.184 1.00 44.12 H new ATOM 0 HE21 GLN A 144 -10.109 6.032 -10.325 1.00 3.55 H new ATOM 0 HE22 GLN A 144 -9.745 7.518 -9.442 1.00 3.55 H new ATOM 2255 N VAL A 145 -3.600 4.516 -12.675 1.00 35.25 N ATOM 2256 CA VAL A 145 -2.382 4.701 -13.476 1.00 2.21 C ATOM 2257 C VAL A 145 -2.117 3.480 -14.372 1.00 63.05 C ATOM 2258 O VAL A 145 -1.892 3.617 -15.576 1.00 64.30 O ATOM 2259 CB VAL A 145 -1.135 4.948 -12.588 1.00 50.42 C ATOM 2260 CG1 VAL A 145 0.115 5.136 -13.448 1.00 12.33 C ATOM 2261 CG2 VAL A 145 -1.343 6.149 -11.669 1.00 73.51 C ATOM 0 H VAL A 145 -3.454 4.581 -11.668 1.00 35.25 H new ATOM 0 HA VAL A 145 -2.553 5.582 -14.095 1.00 2.21 H new ATOM 0 HB VAL A 145 -0.991 4.067 -11.962 1.00 50.42 H new ATOM 0 HG11 VAL A 145 0.977 5.308 -12.804 1.00 12.33 H new ATOM 0 HG12 VAL A 145 0.282 4.241 -14.047 1.00 12.33 H new ATOM 0 HG13 VAL A 145 -0.022 5.993 -14.107 1.00 12.33 H new ATOM 0 HG21 VAL A 145 -0.453 6.298 -11.058 1.00 73.51 H new ATOM 0 HG22 VAL A 145 -1.524 7.040 -12.270 1.00 73.51 H new ATOM 0 HG23 VAL A 145 -2.201 5.967 -11.022 1.00 73.51 H new ATOM 2271 N LEU A 146 -2.147 2.286 -13.774 1.00 24.34 N ATOM 2272 CA LEU A 146 -1.931 1.036 -14.514 1.00 53.03 C ATOM 2273 C LEU A 146 -2.936 0.876 -15.666 1.00 23.42 C ATOM 2274 O LEU A 146 -2.552 0.586 -16.799 1.00 12.43 O ATOM 2275 CB LEU A 146 -2.034 -0.167 -13.564 1.00 3.40 C ATOM 2276 CG LEU A 146 -0.914 -0.276 -12.514 1.00 22.55 C ATOM 2277 CD1 LEU A 146 -1.193 -1.425 -11.545 1.00 73.43 C ATOM 2278 CD2 LEU A 146 0.444 -0.461 -13.196 1.00 52.22 C ATOM 0 H LEU A 146 -2.319 2.157 -12.777 1.00 24.34 H new ATOM 0 HA LEU A 146 -0.930 1.077 -14.944 1.00 53.03 H new ATOM 0 HB2 LEU A 146 -2.992 -0.118 -13.046 1.00 3.40 H new ATOM 0 HB3 LEU A 146 -2.040 -1.080 -14.160 1.00 3.40 H new ATOM 0 HG LEU A 146 -0.887 0.652 -11.942 1.00 22.55 H new ATOM 0 HD11 LEU A 146 -0.390 -1.485 -10.811 1.00 73.43 H new ATOM 0 HD12 LEU A 146 -2.139 -1.248 -11.034 1.00 73.43 H new ATOM 0 HD13 LEU A 146 -1.249 -2.362 -12.099 1.00 73.43 H new ATOM 0 HD21 LEU A 146 1.224 -0.536 -12.439 1.00 52.22 H new ATOM 0 HD22 LEU A 146 0.430 -1.372 -13.794 1.00 52.22 H new ATOM 0 HD23 LEU A 146 0.646 0.394 -13.842 1.00 52.22 H new ATOM 2290 N ASP A 147 -4.218 1.088 -15.367 1.00 23.33 N ATOM 2291 CA ASP A 147 -5.291 0.954 -16.362 1.00 3.22 C ATOM 2292 C ASP A 147 -5.055 1.881 -17.572 1.00 34.42 C ATOM 2293 O ASP A 147 -5.382 1.535 -18.712 1.00 2.43 O ATOM 2294 CB ASP A 147 -6.644 1.257 -15.701 1.00 44.45 C ATOM 2295 CG ASP A 147 -7.828 0.824 -16.552 1.00 23.31 C ATOM 2296 OD1 ASP A 147 -8.093 -0.396 -16.624 1.00 43.30 O ATOM 2297 OD2 ASP A 147 -8.505 1.697 -17.140 1.00 31.20 O ATOM 0 H ASP A 147 -4.544 1.355 -14.438 1.00 23.33 H new ATOM 0 HA ASP A 147 -5.294 -0.071 -16.734 1.00 3.22 H new ATOM 0 HB2 ASP A 147 -6.693 0.752 -14.736 1.00 44.45 H new ATOM 0 HB3 ASP A 147 -6.716 2.327 -15.505 1.00 44.45 H new