USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 577 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 18 TYR OH : rot 100:sc= -0.0384 USER MOD Set 1.2: A 55 TYR OH : rot -164:sc= -0.29 USER MOD Set 1.3: A 60 THR OG1 : rot -90:sc= -1.25 USER MOD Single : A 4 THR OG1 : rot 1:sc= 0.792 USER MOD Single : A 11 SER OG : rot -46:sc= 0.889 USER MOD Single : A 12 GLN : amide:sc= -2.83 K(o=-2.8,f=-8.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= -1.19 (180deg=-1.57!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.284 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 11:sc= 0.467! USER MOD Single : A 37 ASN : amide:sc=-0.000438 K(o=-0.00044,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00106 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-4.2!) USER MOD Single : A 44 SER OG : rot 170:sc= -0.61 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00653) USER MOD Single : A 63 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.61) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0825 USER MOD Single : A 66 THR OG1 : rot 61:sc= 1.26 USER MOD Single : A 68 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.24) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.156 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 1.581 3.712 -10.238 1.00 73.13 N ATOM 49 CA THR A 4 1.775 4.257 -11.576 1.00 2.12 C ATOM 50 C THR A 4 0.757 3.685 -12.556 1.00 3.50 C ATOM 51 O THR A 4 0.082 2.699 -12.259 1.00 43.24 O ATOM 52 CB THR A 4 3.194 3.967 -12.100 1.00 4.22 C ATOM 53 OG1 THR A 4 3.946 3.255 -11.110 1.00 40.53 O ATOM 54 CG2 THR A 4 3.913 5.259 -12.458 1.00 4.01 C ATOM 0 HA THR A 4 1.636 5.336 -11.501 1.00 2.12 H new ATOM 0 HB THR A 4 3.108 3.356 -12.999 1.00 4.22 H new ATOM 0 HG1 THR A 4 3.386 3.104 -10.320 1.00 40.53 H new ATOM 0 HG21 THR A 4 4.913 5.029 -12.826 1.00 4.01 H new ATOM 0 HG22 THR A 4 3.354 5.784 -13.232 1.00 4.01 H new ATOM 0 HG23 THR A 4 3.988 5.891 -11.573 1.00 4.01 H new ATOM 62 N ILE A 5 0.652 4.310 -13.724 1.00 63.01 N ATOM 63 CA ILE A 5 -0.283 3.861 -14.748 1.00 44.23 C ATOM 64 C ILE A 5 0.403 2.943 -15.755 1.00 3.35 C ATOM 65 O ILE A 5 1.562 2.564 -15.576 1.00 74.15 O ATOM 66 CB ILE A 5 -0.908 5.051 -15.499 1.00 55.15 C ATOM 67 CG1 ILE A 5 0.153 5.771 -16.334 1.00 30.11 C ATOM 68 CG2 ILE A 5 -1.561 6.013 -14.518 1.00 4.31 C ATOM 69 CD1 ILE A 5 -0.067 5.650 -17.826 1.00 3.14 C ATOM 0 H ILE A 5 1.203 5.128 -13.984 1.00 63.01 H new ATOM 0 HA ILE A 5 -1.071 3.310 -14.236 1.00 44.23 H new ATOM 0 HB ILE A 5 -1.677 4.672 -16.172 1.00 55.15 H new ATOM 0 HG12 ILE A 5 0.164 6.826 -16.061 1.00 30.11 H new ATOM 0 HG13 ILE A 5 1.135 5.367 -16.086 1.00 30.11 H new ATOM 0 HG21 ILE A 5 -1.998 6.849 -15.064 1.00 4.31 H new ATOM 0 HG22 ILE A 5 -2.343 5.493 -13.964 1.00 4.31 H new ATOM 0 HG23 ILE A 5 -0.811 6.388 -13.822 1.00 4.31 H new ATOM 0 HD11 ILE A 5 0.722 6.184 -18.355 1.00 3.14 H new ATOM 0 HD12 ILE A 5 -0.048 4.598 -18.112 1.00 3.14 H new ATOM 0 HD13 ILE A 5 -1.034 6.080 -18.087 1.00 3.14 H new ATOM 81 N LEU A 6 -0.318 2.591 -16.813 1.00 10.01 N ATOM 82 CA LEU A 6 0.221 1.719 -17.850 1.00 62.53 C ATOM 83 C LEU A 6 -0.425 2.014 -19.200 1.00 61.31 C ATOM 84 O LEU A 6 0.264 2.276 -20.185 1.00 53.13 O ATOM 85 CB LEU A 6 0.001 0.252 -17.476 1.00 75.23 C ATOM 86 CG LEU A 6 0.940 -0.758 -18.136 1.00 43.11 C ATOM 87 CD1 LEU A 6 2.241 -0.865 -17.356 1.00 23.11 C ATOM 88 CD2 LEU A 6 0.269 -2.119 -18.246 1.00 54.12 C ATOM 0 H LEU A 6 -1.278 2.896 -16.975 1.00 10.01 H new ATOM 0 HA LEU A 6 1.291 1.910 -17.931 1.00 62.53 H new ATOM 0 HB2 LEU A 6 0.098 0.155 -16.395 1.00 75.23 H new ATOM 0 HB3 LEU A 6 -1.025 -0.017 -17.729 1.00 75.23 H new ATOM 0 HG LEU A 6 1.170 -0.407 -19.142 1.00 43.11 H new ATOM 0 HD11 LEU A 6 2.897 -1.588 -17.840 1.00 23.11 H new ATOM 0 HD12 LEU A 6 2.731 0.108 -17.330 1.00 23.11 H new ATOM 0 HD13 LEU A 6 2.029 -1.192 -16.338 1.00 23.11 H new ATOM 0 HD21 LEU A 6 0.953 -2.825 -18.718 1.00 54.12 H new ATOM 0 HD22 LEU A 6 0.008 -2.478 -17.250 1.00 54.12 H new ATOM 0 HD23 LEU A 6 -0.635 -2.031 -18.848 1.00 54.12 H new ATOM 100 N GLY A 7 -1.753 1.971 -19.237 1.00 34.21 N ATOM 101 CA GLY A 7 -2.470 2.238 -20.470 1.00 74.30 C ATOM 102 C GLY A 7 -3.300 3.504 -20.396 1.00 35.24 C ATOM 103 O GLY A 7 -3.837 3.841 -19.340 1.00 5.24 O ATOM 0 H GLY A 7 -2.345 1.756 -18.435 1.00 34.21 H new ATOM 0 HA2 GLY A 7 -1.757 2.322 -21.290 1.00 74.30 H new ATOM 0 HA3 GLY A 7 -3.120 1.394 -20.698 1.00 74.30 H new ATOM 107 N ILE A 8 -3.406 4.207 -21.518 1.00 2.10 N ATOM 108 CA ILE A 8 -4.176 5.443 -21.575 1.00 0.32 C ATOM 109 C ILE A 8 -5.379 5.299 -22.500 1.00 55.21 C ATOM 110 O ILE A 8 -5.310 4.618 -23.522 1.00 71.23 O ATOM 111 CB ILE A 8 -3.311 6.624 -22.056 1.00 33.33 C ATOM 112 CG1 ILE A 8 -4.091 7.935 -21.941 1.00 50.23 C ATOM 113 CG2 ILE A 8 -2.854 6.396 -23.489 1.00 13.12 C ATOM 114 CD1 ILE A 8 -4.823 8.316 -23.209 1.00 62.33 C ATOM 0 H ILE A 8 -2.968 3.942 -22.400 1.00 2.10 H new ATOM 0 HA ILE A 8 -4.522 5.646 -20.562 1.00 0.32 H new ATOM 0 HB ILE A 8 -2.428 6.692 -21.421 1.00 33.33 H new ATOM 0 HG12 ILE A 8 -4.811 7.850 -21.127 1.00 50.23 H new ATOM 0 HG13 ILE A 8 -3.402 8.736 -21.674 1.00 50.23 H new ATOM 0 HG21 ILE A 8 -2.244 7.239 -23.815 1.00 13.12 H new ATOM 0 HG22 ILE A 8 -2.265 5.480 -23.542 1.00 13.12 H new ATOM 0 HG23 ILE A 8 -3.725 6.306 -24.139 1.00 13.12 H new ATOM 0 HD11 ILE A 8 -5.354 9.255 -23.054 1.00 62.33 H new ATOM 0 HD12 ILE A 8 -4.106 8.434 -24.022 1.00 62.33 H new ATOM 0 HD13 ILE A 8 -5.537 7.534 -23.466 1.00 62.33 H new ATOM 126 N GLU A 9 -6.481 5.947 -22.135 1.00 12.25 N ATOM 127 CA GLU A 9 -7.700 5.892 -22.933 1.00 61.52 C ATOM 128 C GLU A 9 -8.287 7.287 -23.128 1.00 31.52 C ATOM 129 O GLU A 9 -8.527 8.011 -22.162 1.00 53.52 O ATOM 130 CB GLU A 9 -8.732 4.980 -22.266 1.00 52.21 C ATOM 131 CG GLU A 9 -9.007 3.702 -23.041 1.00 1.32 C ATOM 132 CD GLU A 9 -9.775 3.952 -24.324 1.00 61.23 C ATOM 133 OE1 GLU A 9 -9.409 4.891 -25.062 1.00 75.51 O ATOM 134 OE2 GLU A 9 -10.742 3.207 -24.591 1.00 3.44 O ATOM 0 H GLU A 9 -6.554 6.516 -21.292 1.00 12.25 H new ATOM 0 HA GLU A 9 -7.445 5.485 -23.911 1.00 61.52 H new ATOM 0 HB2 GLU A 9 -8.383 4.721 -21.266 1.00 52.21 H new ATOM 0 HB3 GLU A 9 -9.666 5.529 -22.145 1.00 52.21 H new ATOM 0 HG2 GLU A 9 -8.061 3.214 -23.277 1.00 1.32 H new ATOM 0 HG3 GLU A 9 -9.572 3.014 -22.412 1.00 1.32 H new ATOM 141 N VAL A 10 -8.515 7.656 -24.384 1.00 54.20 N ATOM 142 CA VAL A 10 -9.075 8.963 -24.707 1.00 3.43 C ATOM 143 C VAL A 10 -10.545 9.044 -24.313 1.00 54.31 C ATOM 144 O VAL A 10 -11.315 8.114 -24.553 1.00 22.21 O ATOM 145 CB VAL A 10 -8.939 9.277 -26.208 1.00 45.15 C ATOM 146 CG1 VAL A 10 -9.838 8.365 -27.028 1.00 62.54 C ATOM 147 CG2 VAL A 10 -9.260 10.739 -26.478 1.00 54.13 C ATOM 0 H VAL A 10 -8.321 7.068 -25.195 1.00 54.20 H new ATOM 0 HA VAL A 10 -8.508 9.699 -24.137 1.00 3.43 H new ATOM 0 HB VAL A 10 -7.907 9.094 -26.507 1.00 45.15 H new ATOM 0 HG11 VAL A 10 -9.728 8.602 -28.086 1.00 62.54 H new ATOM 0 HG12 VAL A 10 -9.555 7.326 -26.857 1.00 62.54 H new ATOM 0 HG13 VAL A 10 -10.876 8.512 -26.729 1.00 62.54 H new ATOM 0 HG21 VAL A 10 -9.159 10.943 -27.544 1.00 54.13 H new ATOM 0 HG22 VAL A 10 -10.282 10.951 -26.163 1.00 54.13 H new ATOM 0 HG23 VAL A 10 -8.570 11.372 -25.920 1.00 54.13 H new ATOM 157 N SER A 11 -10.930 10.163 -23.708 1.00 3.52 N ATOM 158 CA SER A 11 -12.308 10.365 -23.278 1.00 13.25 C ATOM 159 C SER A 11 -12.607 11.850 -23.090 1.00 73.45 C ATOM 160 O SER A 11 -13.340 12.235 -22.180 1.00 40.41 O ATOM 161 CB SER A 11 -12.573 9.612 -21.973 1.00 30.33 C ATOM 162 OG SER A 11 -13.927 9.740 -21.575 1.00 52.13 O ATOM 0 H SER A 11 -10.306 10.944 -23.505 1.00 3.52 H new ATOM 0 HA SER A 11 -12.965 9.975 -24.055 1.00 13.25 H new ATOM 0 HB2 SER A 11 -12.327 8.558 -22.101 1.00 30.33 H new ATOM 0 HB3 SER A 11 -11.922 9.998 -21.188 1.00 30.33 H new ATOM 0 HG SER A 11 -14.202 10.678 -21.647 1.00 52.13 H new ATOM 168 N GLN A 12 -12.034 12.676 -23.959 1.00 53.23 N ATOM 169 CA GLN A 12 -12.238 14.118 -23.890 1.00 15.33 C ATOM 170 C GLN A 12 -13.206 14.584 -24.973 1.00 34.25 C ATOM 171 O GLN A 12 -13.203 14.062 -26.087 1.00 23.02 O ATOM 172 CB GLN A 12 -10.903 14.851 -24.033 1.00 15.20 C ATOM 173 CG GLN A 12 -9.936 14.172 -24.989 1.00 53.33 C ATOM 174 CD GLN A 12 -10.476 14.090 -26.404 1.00 24.53 C ATOM 175 OE1 GLN A 12 -10.957 13.042 -26.837 1.00 3.04 O ATOM 176 NE2 GLN A 12 -10.398 15.197 -27.133 1.00 32.33 N ATOM 0 H GLN A 12 -11.425 12.372 -24.719 1.00 53.23 H new ATOM 0 HA GLN A 12 -12.670 14.352 -22.917 1.00 15.33 H new ATOM 0 HB2 GLN A 12 -11.091 15.867 -24.380 1.00 15.20 H new ATOM 0 HB3 GLN A 12 -10.435 14.931 -23.052 1.00 15.20 H new ATOM 0 HG2 GLN A 12 -8.993 14.719 -24.995 1.00 53.33 H new ATOM 0 HG3 GLN A 12 -9.720 13.167 -24.628 1.00 53.33 H new ATOM 0 HE21 GLN A 12 -9.992 16.043 -26.734 1.00 32.33 H new ATOM 0 HE22 GLN A 12 -10.744 15.201 -28.092 1.00 32.33 H new ATOM 185 N GLU A 13 -14.034 15.568 -24.636 1.00 50.32 N ATOM 186 CA GLU A 13 -15.008 16.103 -25.581 1.00 32.55 C ATOM 187 C GLU A 13 -14.586 17.483 -26.075 1.00 40.02 C ATOM 188 O GLU A 13 -13.886 18.229 -25.390 1.00 30.43 O ATOM 189 CB GLU A 13 -16.391 16.183 -24.930 1.00 70.44 C ATOM 190 CG GLU A 13 -17.044 14.827 -24.719 1.00 25.13 C ATOM 191 CD GLU A 13 -18.480 14.789 -25.202 1.00 53.02 C ATOM 192 OE1 GLU A 13 -19.197 15.794 -25.010 1.00 21.42 O ATOM 193 OE2 GLU A 13 -18.888 13.756 -25.772 1.00 60.34 O ATOM 0 H GLU A 13 -14.050 16.010 -23.717 1.00 50.32 H new ATOM 0 HA GLU A 13 -15.055 15.429 -26.436 1.00 32.55 H new ATOM 0 HB2 GLU A 13 -16.302 16.687 -23.968 1.00 70.44 H new ATOM 0 HB3 GLU A 13 -17.041 16.797 -25.553 1.00 70.44 H new ATOM 0 HG2 GLU A 13 -16.468 14.065 -25.244 1.00 25.13 H new ATOM 0 HG3 GLU A 13 -17.015 14.575 -23.659 1.00 25.13 H new ATOM 200 N PRO A 14 -15.021 17.832 -27.295 1.00 44.41 N ATOM 201 CA PRO A 14 -14.700 19.124 -27.910 1.00 14.14 C ATOM 202 C PRO A 14 -15.406 20.286 -27.218 1.00 60.23 C ATOM 203 O PRO A 14 -16.616 20.245 -26.992 1.00 44.43 O ATOM 204 CB PRO A 14 -15.207 18.969 -29.346 1.00 12.13 C ATOM 205 CG PRO A 14 -16.279 17.938 -29.260 1.00 11.11 C ATOM 206 CD PRO A 14 -15.859 16.993 -28.168 1.00 44.42 C ATOM 0 HA PRO A 14 -13.637 19.356 -27.842 1.00 14.14 H new ATOM 0 HB2 PRO A 14 -15.594 19.912 -29.733 1.00 12.13 H new ATOM 0 HB3 PRO A 14 -14.407 18.654 -30.016 1.00 12.13 H new ATOM 0 HG2 PRO A 14 -17.242 18.395 -29.032 1.00 11.11 H new ATOM 0 HG3 PRO A 14 -16.392 17.413 -30.208 1.00 11.11 H new ATOM 0 HD2 PRO A 14 -16.719 16.590 -27.633 1.00 44.42 H new ATOM 0 HD3 PRO A 14 -15.302 16.143 -28.564 1.00 44.42 H new ATOM 214 N LYS A 15 -14.643 21.321 -26.885 1.00 10.15 N ATOM 215 CA LYS A 15 -15.195 22.496 -26.220 1.00 63.02 C ATOM 216 C LYS A 15 -14.109 23.536 -25.964 1.00 41.32 C ATOM 217 O LYS A 15 -13.943 24.480 -26.738 1.00 73.50 O ATOM 218 CB LYS A 15 -15.855 22.097 -24.899 1.00 32.03 C ATOM 219 CG LYS A 15 -16.280 23.282 -24.049 1.00 1.02 C ATOM 220 CD LYS A 15 -17.723 23.151 -23.591 1.00 50.42 C ATOM 221 CE LYS A 15 -17.885 23.559 -22.135 1.00 20.12 C ATOM 222 NZ LYS A 15 -18.193 25.009 -21.996 1.00 12.24 N ATOM 0 H LYS A 15 -13.640 21.370 -27.065 1.00 10.15 H new ATOM 0 HA LYS A 15 -15.947 22.935 -26.876 1.00 63.02 H new ATOM 0 HB2 LYS A 15 -16.729 21.481 -25.111 1.00 32.03 H new ATOM 0 HB3 LYS A 15 -15.161 21.481 -24.327 1.00 32.03 H new ATOM 0 HG2 LYS A 15 -15.627 23.360 -23.180 1.00 1.02 H new ATOM 0 HG3 LYS A 15 -16.161 24.202 -24.621 1.00 1.02 H new ATOM 0 HD2 LYS A 15 -18.362 23.773 -24.217 1.00 50.42 H new ATOM 0 HD3 LYS A 15 -18.055 22.121 -23.720 1.00 50.42 H new ATOM 0 HE2 LYS A 15 -18.684 22.973 -21.680 1.00 20.12 H new ATOM 0 HE3 LYS A 15 -16.970 23.328 -21.589 1.00 20.12 H new ATOM 0 HZ1 LYS A 15 -18.296 25.247 -20.989 1.00 12.24 H new ATOM 0 HZ2 LYS A 15 -17.419 25.569 -22.407 1.00 12.24 H new ATOM 0 HZ3 LYS A 15 -19.079 25.225 -22.495 1.00 12.24 H new ATOM 236 N LYS A 16 -13.370 23.358 -24.874 1.00 71.24 N ATOM 237 CA LYS A 16 -12.298 24.279 -24.517 1.00 63.11 C ATOM 238 C LYS A 16 -12.727 25.726 -24.739 1.00 23.31 C ATOM 239 O LYS A 16 -11.995 26.515 -25.336 1.00 50.42 O ATOM 240 CB LYS A 16 -11.043 23.976 -25.339 1.00 4.21 C ATOM 241 CG LYS A 16 -9.776 23.892 -24.505 1.00 63.34 C ATOM 242 CD LYS A 16 -9.184 25.267 -24.250 1.00 4.55 C ATOM 243 CE LYS A 16 -9.979 26.030 -23.201 1.00 50.43 C ATOM 244 NZ LYS A 16 -9.106 26.551 -22.113 1.00 40.11 N ATOM 0 H LYS A 16 -13.494 22.583 -24.222 1.00 71.24 H new ATOM 0 HA LYS A 16 -12.074 24.144 -23.459 1.00 63.11 H new ATOM 0 HB2 LYS A 16 -11.184 23.033 -25.867 1.00 4.21 H new ATOM 0 HB3 LYS A 16 -10.919 24.750 -26.096 1.00 4.21 H new ATOM 0 HG2 LYS A 16 -9.997 23.408 -23.554 1.00 63.34 H new ATOM 0 HG3 LYS A 16 -9.043 23.269 -25.017 1.00 63.34 H new ATOM 0 HD2 LYS A 16 -8.150 25.164 -23.921 1.00 4.55 H new ATOM 0 HD3 LYS A 16 -9.167 25.835 -25.180 1.00 4.55 H new ATOM 0 HE2 LYS A 16 -10.503 26.860 -23.675 1.00 50.43 H new ATOM 0 HE3 LYS A 16 -10.739 25.376 -22.775 1.00 50.43 H new ATOM 0 HZ1 LYS A 16 -9.556 27.379 -21.673 1.00 40.11 H new ATOM 0 HZ2 LYS A 16 -8.966 25.811 -21.396 1.00 40.11 H new ATOM 0 HZ3 LYS A 16 -8.185 26.828 -22.509 1.00 40.11 H new ATOM 258 N ASP A 17 -13.915 26.066 -24.253 1.00 54.54 N ATOM 259 CA ASP A 17 -14.440 27.419 -24.397 1.00 14.54 C ATOM 260 C ASP A 17 -14.436 28.149 -23.057 1.00 32.44 C ATOM 261 O ASP A 17 -14.856 27.599 -22.038 1.00 25.31 O ATOM 262 CB ASP A 17 -15.859 27.381 -24.966 1.00 15.11 C ATOM 263 CG ASP A 17 -15.924 26.688 -26.313 1.00 14.13 C ATOM 264 OD1 ASP A 17 -15.290 27.185 -27.266 1.00 52.24 O ATOM 265 OD2 ASP A 17 -16.610 25.649 -26.413 1.00 53.02 O ATOM 0 H ASP A 17 -14.533 25.424 -23.756 1.00 54.54 H new ATOM 0 HA ASP A 17 -13.794 27.961 -25.088 1.00 14.54 H new ATOM 0 HB2 ASP A 17 -16.515 26.867 -24.264 1.00 15.11 H new ATOM 0 HB3 ASP A 17 -16.235 28.399 -25.066 1.00 15.11 H new ATOM 270 N TYR A 18 -13.959 29.388 -23.065 1.00 42.11 N ATOM 271 CA TYR A 18 -13.896 30.191 -21.850 1.00 14.41 C ATOM 272 C TYR A 18 -14.315 31.632 -22.127 1.00 53.10 C ATOM 273 O TYR A 18 -14.158 32.134 -23.241 1.00 71.40 O ATOM 274 CB TYR A 18 -12.483 30.163 -21.266 1.00 63.25 C ATOM 275 CG TYR A 18 -11.470 30.922 -22.095 1.00 35.54 C ATOM 276 CD1 TYR A 18 -11.303 32.292 -21.939 1.00 72.01 C ATOM 277 CD2 TYR A 18 -10.680 30.267 -23.032 1.00 55.41 C ATOM 278 CE1 TYR A 18 -10.380 32.989 -22.694 1.00 51.12 C ATOM 279 CE2 TYR A 18 -9.754 30.956 -23.791 1.00 2.24 C ATOM 280 CZ TYR A 18 -9.608 32.317 -23.618 1.00 63.13 C ATOM 281 OH TYR A 18 -8.686 33.007 -24.371 1.00 50.55 O ATOM 0 H TYR A 18 -13.610 29.859 -23.900 1.00 42.11 H new ATOM 0 HA TYR A 18 -14.589 29.762 -21.126 1.00 14.41 H new ATOM 0 HB2 TYR A 18 -12.506 30.584 -20.261 1.00 63.25 H new ATOM 0 HB3 TYR A 18 -12.159 29.127 -21.170 1.00 63.25 H new ATOM 0 HD1 TYR A 18 -11.905 32.821 -21.215 1.00 72.01 H new ATOM 0 HD2 TYR A 18 -10.792 29.202 -23.169 1.00 55.41 H new ATOM 0 HE1 TYR A 18 -10.264 34.054 -22.561 1.00 51.12 H new ATOM 0 HE2 TYR A 18 -9.148 30.432 -24.516 1.00 2.24 H new ATOM 0 HH TYR A 18 -7.793 32.886 -23.986 1.00 50.55 H new ATOM 291 N LEU A 19 -14.849 32.293 -21.106 1.00 23.14 N ATOM 292 CA LEU A 19 -15.290 33.677 -21.237 1.00 14.03 C ATOM 293 C LEU A 19 -14.132 34.642 -21.009 1.00 4.34 C ATOM 294 O LEU A 19 -13.245 34.383 -20.195 1.00 0.33 O ATOM 295 CB LEU A 19 -16.416 33.970 -20.243 1.00 52.15 C ATOM 296 CG LEU A 19 -17.839 33.739 -20.754 1.00 61.41 C ATOM 297 CD1 LEU A 19 -18.838 33.835 -19.612 1.00 32.53 C ATOM 298 CD2 LEU A 19 -18.181 34.737 -21.850 1.00 13.41 C ATOM 0 H LEU A 19 -14.987 31.893 -20.178 1.00 23.14 H new ATOM 0 HA LEU A 19 -15.662 33.819 -22.252 1.00 14.03 H new ATOM 0 HB2 LEU A 19 -16.264 33.351 -19.359 1.00 52.15 H new ATOM 0 HB3 LEU A 19 -16.330 35.008 -19.923 1.00 52.15 H new ATOM 0 HG LEU A 19 -17.895 32.735 -21.175 1.00 61.41 H new ATOM 0 HD11 LEU A 19 -19.845 33.668 -19.994 1.00 32.53 H new ATOM 0 HD12 LEU A 19 -18.605 33.080 -18.861 1.00 32.53 H new ATOM 0 HD13 LEU A 19 -18.781 34.826 -19.161 1.00 32.53 H new ATOM 0 HD21 LEU A 19 -19.197 34.557 -22.201 1.00 13.41 H new ATOM 0 HD22 LEU A 19 -18.107 35.750 -21.455 1.00 13.41 H new ATOM 0 HD23 LEU A 19 -17.484 34.619 -22.680 1.00 13.41 H new ATOM 310 N VAL A 20 -14.146 35.758 -21.731 1.00 73.25 N ATOM 311 CA VAL A 20 -13.099 36.764 -21.606 1.00 4.12 C ATOM 312 C VAL A 20 -12.883 37.154 -20.148 1.00 13.12 C ATOM 313 O VAL A 20 -13.833 37.465 -19.431 1.00 34.44 O ATOM 314 CB VAL A 20 -13.434 38.028 -22.420 1.00 22.12 C ATOM 315 CG1 VAL A 20 -12.294 39.032 -22.340 1.00 15.51 C ATOM 316 CG2 VAL A 20 -13.735 37.665 -23.866 1.00 54.31 C ATOM 0 H VAL A 20 -14.872 35.988 -22.409 1.00 73.25 H new ATOM 0 HA VAL A 20 -12.185 36.320 -22.000 1.00 4.12 H new ATOM 0 HB VAL A 20 -14.324 38.490 -21.992 1.00 22.12 H new ATOM 0 HG11 VAL A 20 -12.548 39.918 -22.921 1.00 15.51 H new ATOM 0 HG12 VAL A 20 -12.130 39.314 -21.300 1.00 15.51 H new ATOM 0 HG13 VAL A 20 -11.385 38.584 -22.742 1.00 15.51 H new ATOM 0 HG21 VAL A 20 -13.970 38.570 -24.427 1.00 54.31 H new ATOM 0 HG22 VAL A 20 -12.865 37.179 -24.308 1.00 54.31 H new ATOM 0 HG23 VAL A 20 -14.586 36.985 -23.901 1.00 54.31 H new ATOM 326 N GLY A 21 -11.626 37.136 -19.715 1.00 51.24 N ATOM 327 CA GLY A 21 -11.308 37.490 -18.345 1.00 0.55 C ATOM 328 C GLY A 21 -11.290 36.286 -17.424 1.00 12.52 C ATOM 329 O GLY A 21 -10.711 36.335 -16.339 1.00 21.14 O ATOM 0 H GLY A 21 -10.822 36.882 -20.289 1.00 51.24 H new ATOM 0 HA2 GLY A 21 -10.335 37.980 -18.316 1.00 0.55 H new ATOM 0 HA3 GLY A 21 -12.039 38.212 -17.980 1.00 0.55 H new ATOM 333 N ASP A 22 -11.928 35.204 -17.856 1.00 25.01 N ATOM 334 CA ASP A 22 -11.983 33.982 -17.062 1.00 74.23 C ATOM 335 C ASP A 22 -10.774 33.095 -17.344 1.00 55.12 C ATOM 336 O ASP A 22 -10.525 32.124 -16.631 1.00 22.44 O ATOM 337 CB ASP A 22 -13.274 33.215 -17.357 1.00 44.33 C ATOM 338 CG ASP A 22 -13.860 32.570 -16.117 1.00 72.02 C ATOM 339 OD1 ASP A 22 -13.224 31.644 -15.573 1.00 64.33 O ATOM 340 OD2 ASP A 22 -14.956 32.991 -15.691 1.00 33.31 O ATOM 0 H ASP A 22 -12.414 35.148 -18.751 1.00 25.01 H new ATOM 0 HA ASP A 22 -11.968 34.261 -16.009 1.00 74.23 H new ATOM 0 HB2 ASP A 22 -14.007 33.896 -17.790 1.00 44.33 H new ATOM 0 HB3 ASP A 22 -13.074 32.446 -18.103 1.00 44.33 H new ATOM 345 N SER A 23 -10.028 33.436 -18.390 1.00 20.12 N ATOM 346 CA SER A 23 -8.848 32.668 -18.769 1.00 62.12 C ATOM 347 C SER A 23 -9.231 31.249 -19.178 1.00 34.12 C ATOM 348 O SER A 23 -10.411 30.937 -19.348 1.00 64.53 O ATOM 349 CB SER A 23 -7.848 32.625 -17.612 1.00 44.04 C ATOM 350 OG SER A 23 -8.061 33.699 -16.713 1.00 55.22 O ATOM 0 H SER A 23 -10.220 34.239 -18.990 1.00 20.12 H new ATOM 0 HA SER A 23 -8.384 33.161 -19.623 1.00 62.12 H new ATOM 0 HB2 SER A 23 -7.942 31.678 -17.081 1.00 44.04 H new ATOM 0 HB3 SER A 23 -6.832 32.671 -18.004 1.00 44.04 H new ATOM 0 HG SER A 23 -7.410 33.648 -15.982 1.00 55.22 H new ATOM 356 N LEU A 24 -8.227 30.393 -19.333 1.00 53.23 N ATOM 357 CA LEU A 24 -8.457 29.006 -19.722 1.00 54.10 C ATOM 358 C LEU A 24 -9.496 28.352 -18.817 1.00 12.13 C ATOM 359 O LEU A 24 -9.365 28.368 -17.593 1.00 35.14 O ATOM 360 CB LEU A 24 -7.148 28.217 -19.668 1.00 71.22 C ATOM 361 CG LEU A 24 -6.192 28.421 -20.844 1.00 52.50 C ATOM 362 CD1 LEU A 24 -5.059 29.358 -20.454 1.00 53.01 C ATOM 363 CD2 LEU A 24 -5.642 27.086 -21.323 1.00 22.14 C ATOM 0 H LEU A 24 -7.246 30.635 -19.195 1.00 53.23 H new ATOM 0 HA LEU A 24 -8.836 28.999 -20.744 1.00 54.10 H new ATOM 0 HB2 LEU A 24 -6.624 28.483 -18.750 1.00 71.22 H new ATOM 0 HB3 LEU A 24 -7.389 27.156 -19.602 1.00 71.22 H new ATOM 0 HG LEU A 24 -6.747 28.877 -21.664 1.00 52.50 H new ATOM 0 HD11 LEU A 24 -4.389 29.491 -21.303 1.00 53.01 H new ATOM 0 HD12 LEU A 24 -5.470 30.324 -20.161 1.00 53.01 H new ATOM 0 HD13 LEU A 24 -4.505 28.931 -19.618 1.00 53.01 H new ATOM 0 HD21 LEU A 24 -4.964 27.251 -22.160 1.00 22.14 H new ATOM 0 HD22 LEU A 24 -5.103 26.602 -20.509 1.00 22.14 H new ATOM 0 HD23 LEU A 24 -6.465 26.447 -21.643 1.00 22.14 H new ATOM 375 N ASP A 25 -10.526 27.776 -19.427 1.00 12.23 N ATOM 376 CA ASP A 25 -11.586 27.113 -18.676 1.00 53.21 C ATOM 377 C ASP A 25 -12.096 25.886 -19.425 1.00 33.23 C ATOM 378 O ASP A 25 -13.126 25.939 -20.098 1.00 14.51 O ATOM 379 CB ASP A 25 -12.740 28.083 -18.416 1.00 41.34 C ATOM 380 CG ASP A 25 -13.691 27.579 -17.349 1.00 2.44 C ATOM 381 OD1 ASP A 25 -13.207 27.102 -16.300 1.00 54.24 O ATOM 382 OD2 ASP A 25 -14.918 27.663 -17.561 1.00 14.14 O ATOM 0 H ASP A 25 -10.650 27.755 -20.439 1.00 12.23 H new ATOM 0 HA ASP A 25 -11.173 26.788 -17.721 1.00 53.21 H new ATOM 0 HB2 ASP A 25 -12.337 29.049 -18.112 1.00 41.34 H new ATOM 0 HB3 ASP A 25 -13.291 28.244 -19.343 1.00 41.34 H new ATOM 387 N LEU A 26 -11.369 24.781 -19.304 1.00 24.01 N ATOM 388 CA LEU A 26 -11.746 23.539 -19.970 1.00 15.31 C ATOM 389 C LEU A 26 -12.135 22.472 -18.952 1.00 62.31 C ATOM 390 O LEU A 26 -11.348 22.125 -18.071 1.00 35.40 O ATOM 391 CB LEU A 26 -10.595 23.034 -20.842 1.00 13.44 C ATOM 392 CG LEU A 26 -10.793 21.661 -21.485 1.00 2.31 C ATOM 393 CD1 LEU A 26 -11.883 21.720 -22.544 1.00 30.44 C ATOM 394 CD2 LEU A 26 -9.488 21.162 -22.088 1.00 3.14 C ATOM 0 H LEU A 26 -10.514 24.720 -18.750 1.00 24.01 H new ATOM 0 HA LEU A 26 -12.610 23.743 -20.603 1.00 15.31 H new ATOM 0 HB2 LEU A 26 -10.419 23.762 -21.634 1.00 13.44 H new ATOM 0 HB3 LEU A 26 -9.692 23.001 -20.233 1.00 13.44 H new ATOM 0 HG LEU A 26 -11.104 20.960 -20.711 1.00 2.31 H new ATOM 0 HD11 LEU A 26 -12.010 20.734 -22.991 1.00 30.44 H new ATOM 0 HD12 LEU A 26 -12.820 22.034 -22.084 1.00 30.44 H new ATOM 0 HD13 LEU A 26 -11.601 22.435 -23.317 1.00 30.44 H new ATOM 0 HD21 LEU A 26 -9.647 20.184 -22.541 1.00 3.14 H new ATOM 0 HD22 LEU A 26 -9.147 21.864 -22.849 1.00 3.14 H new ATOM 0 HD23 LEU A 26 -8.733 21.081 -21.306 1.00 3.14 H new ATOM 406 N SER A 27 -13.352 21.953 -19.081 1.00 41.12 N ATOM 407 CA SER A 27 -13.845 20.926 -18.172 1.00 34.33 C ATOM 408 C SER A 27 -14.427 19.748 -18.947 1.00 60.42 C ATOM 409 O SER A 27 -14.942 18.798 -18.359 1.00 35.13 O ATOM 410 CB SER A 27 -14.907 21.509 -17.237 1.00 3.30 C ATOM 411 OG SER A 27 -16.084 21.847 -17.950 1.00 2.32 O ATOM 0 H SER A 27 -14.014 22.227 -19.807 1.00 41.12 H new ATOM 0 HA SER A 27 -13.004 20.568 -17.578 1.00 34.33 H new ATOM 0 HB2 SER A 27 -15.146 20.786 -16.457 1.00 3.30 H new ATOM 0 HB3 SER A 27 -14.512 22.395 -16.740 1.00 3.30 H new ATOM 0 HG SER A 27 -16.747 22.216 -17.330 1.00 2.32 H new ATOM 417 N GLU A 28 -14.340 19.818 -20.272 1.00 5.01 N ATOM 418 CA GLU A 28 -14.858 18.758 -21.128 1.00 62.15 C ATOM 419 C GLU A 28 -13.722 17.906 -21.687 1.00 61.33 C ATOM 420 O GLU A 28 -13.940 16.786 -22.148 1.00 21.03 O ATOM 421 CB GLU A 28 -15.676 19.353 -22.276 1.00 43.34 C ATOM 422 CG GLU A 28 -17.137 19.581 -21.928 1.00 71.24 C ATOM 423 CD GLU A 28 -18.067 18.640 -22.670 1.00 42.34 C ATOM 424 OE1 GLU A 28 -18.281 18.853 -23.882 1.00 73.12 O ATOM 425 OE2 GLU A 28 -18.580 17.692 -22.040 1.00 3.42 O ATOM 0 H GLU A 28 -13.916 20.597 -20.775 1.00 5.01 H new ATOM 0 HA GLU A 28 -15.503 18.121 -20.523 1.00 62.15 H new ATOM 0 HB2 GLU A 28 -15.230 20.302 -22.575 1.00 43.34 H new ATOM 0 HB3 GLU A 28 -15.616 18.687 -23.137 1.00 43.34 H new ATOM 0 HG2 GLU A 28 -17.276 19.451 -20.855 1.00 71.24 H new ATOM 0 HG3 GLU A 28 -17.406 20.611 -22.162 1.00 71.24 H new ATOM 432 N GLY A 29 -12.508 18.446 -21.643 1.00 64.13 N ATOM 433 CA GLY A 29 -11.355 17.723 -22.149 1.00 33.24 C ATOM 434 C GLY A 29 -10.677 16.891 -21.078 1.00 14.32 C ATOM 435 O GLY A 29 -9.599 17.243 -20.600 1.00 22.14 O ATOM 0 H GLY A 29 -12.302 19.371 -21.266 1.00 64.13 H new ATOM 0 HA2 GLY A 29 -11.668 17.073 -22.966 1.00 33.24 H new ATOM 0 HA3 GLY A 29 -10.638 18.432 -22.562 1.00 33.24 H new ATOM 439 N ARG A 30 -11.311 15.786 -20.699 1.00 53.40 N ATOM 440 CA ARG A 30 -10.764 14.904 -19.676 1.00 2.25 C ATOM 441 C ARG A 30 -10.377 13.554 -20.272 1.00 31.12 C ATOM 442 O ARG A 30 -10.931 13.130 -21.286 1.00 42.05 O ATOM 443 CB ARG A 30 -11.779 14.704 -18.548 1.00 44.14 C ATOM 444 CG ARG A 30 -12.894 13.733 -18.899 1.00 12.04 C ATOM 445 CD ARG A 30 -14.261 14.310 -18.563 1.00 24.32 C ATOM 446 NE ARG A 30 -15.335 13.353 -18.814 1.00 32.04 N ATOM 447 CZ ARG A 30 -16.625 13.665 -18.758 1.00 11.25 C ATOM 448 NH1 ARG A 30 -16.999 14.902 -18.461 1.00 42.44 N ATOM 449 NH2 ARG A 30 -17.544 12.739 -18.999 1.00 12.15 N ATOM 0 H ARG A 30 -12.204 15.481 -21.085 1.00 53.40 H new ATOM 0 HA ARG A 30 -9.868 15.373 -19.270 1.00 2.25 H new ATOM 0 HB2 ARG A 30 -11.258 14.341 -17.662 1.00 44.14 H new ATOM 0 HB3 ARG A 30 -12.216 15.668 -18.289 1.00 44.14 H new ATOM 0 HG2 ARG A 30 -12.850 13.495 -19.962 1.00 12.04 H new ATOM 0 HG3 ARG A 30 -12.749 12.799 -18.357 1.00 12.04 H new ATOM 0 HD2 ARG A 30 -14.280 14.610 -17.515 1.00 24.32 H new ATOM 0 HD3 ARG A 30 -14.431 15.209 -19.155 1.00 24.32 H new ATOM 0 HE ARG A 30 -15.081 12.393 -19.045 1.00 32.04 H new ATOM 0 HH11 ARG A 30 -16.295 15.617 -18.275 1.00 42.44 H new ATOM 0 HH12 ARG A 30 -17.990 15.139 -18.419 1.00 42.44 H new ATOM 0 HH21 ARG A 30 -17.260 11.786 -19.228 1.00 12.15 H new ATOM 0 HH22 ARG A 30 -18.534 12.980 -18.956 1.00 12.15 H new ATOM 463 N PHE A 31 -9.423 12.883 -19.635 1.00 1.20 N ATOM 464 CA PHE A 31 -8.961 11.582 -20.103 1.00 63.30 C ATOM 465 C PHE A 31 -9.011 10.550 -18.979 1.00 41.44 C ATOM 466 O PHE A 31 -8.855 10.887 -17.806 1.00 43.11 O ATOM 467 CB PHE A 31 -7.535 11.689 -20.649 1.00 13.03 C ATOM 468 CG PHE A 31 -6.530 12.120 -19.619 1.00 52.33 C ATOM 469 CD1 PHE A 31 -6.377 13.460 -19.300 1.00 31.22 C ATOM 470 CD2 PHE A 31 -5.738 11.186 -18.971 1.00 40.25 C ATOM 471 CE1 PHE A 31 -5.453 13.860 -18.353 1.00 14.13 C ATOM 472 CE2 PHE A 31 -4.813 11.580 -18.023 1.00 40.43 C ATOM 473 CZ PHE A 31 -4.670 12.919 -17.714 1.00 44.04 C ATOM 0 H PHE A 31 -8.955 13.219 -18.793 1.00 1.20 H new ATOM 0 HA PHE A 31 -9.625 11.255 -20.903 1.00 63.30 H new ATOM 0 HB2 PHE A 31 -7.236 10.722 -21.055 1.00 13.03 H new ATOM 0 HB3 PHE A 31 -7.523 12.399 -21.476 1.00 13.03 H new ATOM 0 HD1 PHE A 31 -6.987 14.200 -19.797 1.00 31.22 H new ATOM 0 HD2 PHE A 31 -5.845 10.138 -19.209 1.00 40.25 H new ATOM 0 HE1 PHE A 31 -5.344 14.907 -18.113 1.00 14.13 H new ATOM 0 HE2 PHE A 31 -4.202 10.842 -17.524 1.00 40.43 H new ATOM 0 HZ PHE A 31 -3.947 13.229 -16.974 1.00 44.04 H new ATOM 483 N ALA A 32 -9.230 9.293 -19.348 1.00 75.32 N ATOM 484 CA ALA A 32 -9.300 8.212 -18.373 1.00 30.31 C ATOM 485 C ALA A 32 -8.058 7.329 -18.442 1.00 11.43 C ATOM 486 O ALA A 32 -7.773 6.720 -19.473 1.00 53.51 O ATOM 487 CB ALA A 32 -10.554 7.379 -18.596 1.00 11.50 C ATOM 0 H ALA A 32 -9.362 8.998 -20.315 1.00 75.32 H new ATOM 0 HA ALA A 32 -9.344 8.656 -17.379 1.00 30.31 H new ATOM 0 HB1 ALA A 32 -10.593 6.576 -17.860 1.00 11.50 H new ATOM 0 HB2 ALA A 32 -11.435 8.012 -18.489 1.00 11.50 H new ATOM 0 HB3 ALA A 32 -10.534 6.952 -19.599 1.00 11.50 H new ATOM 493 N VAL A 33 -7.321 7.265 -17.337 1.00 53.42 N ATOM 494 CA VAL A 33 -6.110 6.457 -17.272 1.00 44.13 C ATOM 495 C VAL A 33 -6.313 5.232 -16.388 1.00 1.34 C ATOM 496 O VAL A 33 -6.946 5.312 -15.335 1.00 42.23 O ATOM 497 CB VAL A 33 -4.919 7.273 -16.735 1.00 62.01 C ATOM 498 CG1 VAL A 33 -5.135 7.635 -15.273 1.00 70.55 C ATOM 499 CG2 VAL A 33 -3.620 6.501 -16.915 1.00 52.45 C ATOM 0 H VAL A 33 -7.542 7.763 -16.475 1.00 53.42 H new ATOM 0 HA VAL A 33 -5.890 6.134 -18.290 1.00 44.13 H new ATOM 0 HB VAL A 33 -4.848 8.198 -17.307 1.00 62.01 H new ATOM 0 HG11 VAL A 33 -4.283 8.211 -14.911 1.00 70.55 H new ATOM 0 HG12 VAL A 33 -6.043 8.230 -15.176 1.00 70.55 H new ATOM 0 HG13 VAL A 33 -5.233 6.724 -14.683 1.00 70.55 H new ATOM 0 HG21 VAL A 33 -2.789 7.092 -16.530 1.00 52.45 H new ATOM 0 HG22 VAL A 33 -3.678 5.559 -16.370 1.00 52.45 H new ATOM 0 HG23 VAL A 33 -3.461 6.298 -17.974 1.00 52.45 H new ATOM 509 N ALA A 34 -5.771 4.099 -16.822 1.00 10.12 N ATOM 510 CA ALA A 34 -5.891 2.857 -16.068 1.00 5.20 C ATOM 511 C ALA A 34 -4.592 2.531 -15.338 1.00 70.01 C ATOM 512 O ALA A 34 -3.505 2.637 -15.907 1.00 12.21 O ATOM 513 CB ALA A 34 -6.280 1.714 -16.993 1.00 61.31 C ATOM 0 H ALA A 34 -5.245 4.015 -17.692 1.00 10.12 H new ATOM 0 HA ALA A 34 -6.674 2.988 -15.321 1.00 5.20 H new ATOM 0 HB1 ALA A 34 -6.366 0.793 -16.417 1.00 61.31 H new ATOM 0 HB2 ALA A 34 -7.237 1.937 -17.465 1.00 61.31 H new ATOM 0 HB3 ALA A 34 -5.516 1.591 -17.761 1.00 61.31 H new ATOM 519 N TYR A 35 -4.712 2.134 -14.076 1.00 41.50 N ATOM 520 CA TYR A 35 -3.547 1.796 -13.267 1.00 61.23 C ATOM 521 C TYR A 35 -3.336 0.285 -13.221 1.00 14.51 C ATOM 522 O TYR A 35 -4.230 -0.488 -13.566 1.00 23.04 O ATOM 523 CB TYR A 35 -3.708 2.343 -11.848 1.00 55.22 C ATOM 524 CG TYR A 35 -3.510 3.839 -11.750 1.00 14.00 C ATOM 525 CD1 TYR A 35 -4.500 4.720 -12.169 1.00 22.20 C ATOM 526 CD2 TYR A 35 -2.334 4.371 -11.237 1.00 41.40 C ATOM 527 CE1 TYR A 35 -4.323 6.087 -12.082 1.00 24.02 C ATOM 528 CE2 TYR A 35 -2.149 5.737 -11.145 1.00 4.33 C ATOM 529 CZ TYR A 35 -3.146 6.591 -11.569 1.00 24.12 C ATOM 530 OH TYR A 35 -2.966 7.952 -11.479 1.00 1.21 O ATOM 0 H TYR A 35 -5.604 2.038 -13.591 1.00 41.50 H new ATOM 0 HA TYR A 35 -2.672 2.254 -13.728 1.00 61.23 H new ATOM 0 HB2 TYR A 35 -4.703 2.092 -11.481 1.00 55.22 H new ATOM 0 HB3 TYR A 35 -2.992 1.846 -11.193 1.00 55.22 H new ATOM 0 HD1 TYR A 35 -5.424 4.329 -12.570 1.00 22.20 H new ATOM 0 HD2 TYR A 35 -1.551 3.706 -10.904 1.00 41.40 H new ATOM 0 HE1 TYR A 35 -5.102 6.758 -12.414 1.00 24.02 H new ATOM 0 HE2 TYR A 35 -1.229 6.134 -10.743 1.00 4.33 H new ATOM 0 HH TYR A 35 -2.084 8.141 -11.095 1.00 1.21 H new ATOM 540 N SER A 36 -2.148 -0.127 -12.791 1.00 40.24 N ATOM 541 CA SER A 36 -1.817 -1.544 -12.702 1.00 61.11 C ATOM 542 C SER A 36 -2.465 -2.177 -11.474 1.00 43.12 C ATOM 543 O SER A 36 -2.513 -3.399 -11.345 1.00 60.32 O ATOM 544 CB SER A 36 -0.300 -1.733 -12.647 1.00 3.33 C ATOM 545 OG SER A 36 0.038 -2.996 -12.101 1.00 35.20 O ATOM 0 H SER A 36 -1.399 0.500 -12.499 1.00 40.24 H new ATOM 0 HA SER A 36 -2.205 -2.039 -13.592 1.00 61.11 H new ATOM 0 HB2 SER A 36 0.117 -1.644 -13.650 1.00 3.33 H new ATOM 0 HB3 SER A 36 0.146 -0.942 -12.045 1.00 3.33 H new ATOM 0 HG SER A 36 -0.769 -3.547 -12.028 1.00 35.20 H new ATOM 551 N ASN A 37 -2.961 -1.334 -10.575 1.00 34.15 N ATOM 552 CA ASN A 37 -3.606 -1.810 -9.356 1.00 11.21 C ATOM 553 C ASN A 37 -5.119 -1.889 -9.536 1.00 70.33 C ATOM 554 O ASN A 37 -5.874 -1.840 -8.565 1.00 2.41 O ATOM 555 CB ASN A 37 -3.269 -0.888 -8.182 1.00 40.45 C ATOM 556 CG ASN A 37 -3.319 -1.607 -6.849 1.00 22.44 C ATOM 557 OD1 ASN A 37 -3.905 -2.684 -6.733 1.00 12.30 O ATOM 558 ND2 ASN A 37 -2.702 -1.014 -5.833 1.00 71.31 N ATOM 0 H ASN A 37 -2.929 -0.319 -10.667 1.00 34.15 H new ATOM 0 HA ASN A 37 -3.230 -2.811 -9.143 1.00 11.21 H new ATOM 0 HB2 ASN A 37 -2.274 -0.468 -8.328 1.00 40.45 H new ATOM 0 HB3 ASN A 37 -3.969 -0.052 -8.167 1.00 40.45 H new ATOM 0 HD21 ASN A 37 -2.701 -1.451 -4.911 1.00 71.31 H new ATOM 0 HD22 ASN A 37 -2.229 -0.122 -5.974 1.00 71.31 H new ATOM 565 N ASP A 38 -5.554 -2.014 -10.785 1.00 55.31 N ATOM 566 CA ASP A 38 -6.977 -2.102 -11.094 1.00 31.14 C ATOM 567 C ASP A 38 -7.717 -0.862 -10.603 1.00 55.33 C ATOM 568 O ASP A 38 -8.510 -0.929 -9.663 1.00 0.10 O ATOM 569 CB ASP A 38 -7.581 -3.356 -10.459 1.00 53.13 C ATOM 570 CG ASP A 38 -8.918 -3.727 -11.071 1.00 21.32 C ATOM 571 OD1 ASP A 38 -8.944 -4.084 -12.267 1.00 50.32 O ATOM 572 OD2 ASP A 38 -9.938 -3.661 -10.353 1.00 51.22 O ATOM 0 H ASP A 38 -4.942 -2.057 -11.600 1.00 55.31 H new ATOM 0 HA ASP A 38 -7.086 -2.163 -12.177 1.00 31.14 H new ATOM 0 HB2 ASP A 38 -6.888 -4.189 -10.575 1.00 53.13 H new ATOM 0 HB3 ASP A 38 -7.707 -3.193 -9.389 1.00 53.13 H new ATOM 577 N THR A 39 -7.453 0.272 -11.246 1.00 74.30 N ATOM 578 CA THR A 39 -8.092 1.528 -10.874 1.00 73.24 C ATOM 579 C THR A 39 -8.063 2.522 -12.029 1.00 40.33 C ATOM 580 O THR A 39 -7.130 2.528 -12.832 1.00 11.20 O ATOM 581 CB THR A 39 -7.411 2.163 -9.647 1.00 54.05 C ATOM 582 OG1 THR A 39 -6.132 1.557 -9.429 1.00 15.25 O ATOM 583 CG2 THR A 39 -8.274 2.001 -8.405 1.00 73.12 C ATOM 0 H THR A 39 -6.801 0.346 -12.027 1.00 74.30 H new ATOM 0 HA THR A 39 -9.127 1.295 -10.625 1.00 73.24 H new ATOM 0 HB THR A 39 -7.280 3.227 -9.842 1.00 54.05 H new ATOM 0 HG1 THR A 39 -5.704 1.967 -8.648 1.00 15.25 H new ATOM 0 HG21 THR A 39 -7.772 2.457 -7.551 1.00 73.12 H new ATOM 0 HG22 THR A 39 -9.236 2.489 -8.564 1.00 73.12 H new ATOM 0 HG23 THR A 39 -8.433 0.941 -8.208 1.00 73.12 H new ATOM 591 N MET A 40 -9.090 3.363 -12.107 1.00 23.42 N ATOM 592 CA MET A 40 -9.180 4.363 -13.164 1.00 5.54 C ATOM 593 C MET A 40 -9.397 5.755 -12.578 1.00 23.15 C ATOM 594 O MET A 40 -10.113 5.917 -11.590 1.00 70.22 O ATOM 595 CB MET A 40 -10.318 4.019 -14.126 1.00 1.30 C ATOM 596 CG MET A 40 -9.931 3.000 -15.185 1.00 32.52 C ATOM 597 SD MET A 40 -11.232 2.739 -16.406 1.00 44.44 S ATOM 598 CE MET A 40 -11.031 0.992 -16.747 1.00 54.53 C ATOM 0 H MET A 40 -9.871 3.371 -11.451 1.00 23.42 H new ATOM 0 HA MET A 40 -8.238 4.361 -13.712 1.00 5.54 H new ATOM 0 HB2 MET A 40 -11.162 3.634 -13.554 1.00 1.30 H new ATOM 0 HB3 MET A 40 -10.656 4.931 -14.618 1.00 1.30 H new ATOM 0 HG2 MET A 40 -9.025 3.334 -15.691 1.00 32.52 H new ATOM 0 HG3 MET A 40 -9.696 2.052 -14.702 1.00 32.52 H new ATOM 0 HE1 MET A 40 -11.767 0.679 -17.487 1.00 54.53 H new ATOM 0 HE2 MET A 40 -10.028 0.810 -17.133 1.00 54.53 H new ATOM 0 HE3 MET A 40 -11.175 0.423 -15.828 1.00 54.53 H new ATOM 608 N GLU A 41 -8.773 6.755 -13.192 1.00 54.34 N ATOM 609 CA GLU A 41 -8.899 8.132 -12.729 1.00 42.34 C ATOM 610 C GLU A 41 -9.191 9.074 -13.894 1.00 60.55 C ATOM 611 O GLU A 41 -8.551 8.996 -14.943 1.00 13.42 O ATOM 612 CB GLU A 41 -7.620 8.571 -12.013 1.00 51.40 C ATOM 613 CG GLU A 41 -7.782 8.709 -10.509 1.00 0.15 C ATOM 614 CD GLU A 41 -7.048 7.627 -9.741 1.00 64.22 C ATOM 615 OE1 GLU A 41 -7.100 6.455 -10.170 1.00 13.22 O ATOM 616 OE2 GLU A 41 -6.420 7.952 -8.712 1.00 2.32 O ATOM 0 H GLU A 41 -8.176 6.638 -14.010 1.00 54.34 H new ATOM 0 HA GLU A 41 -9.734 8.178 -12.029 1.00 42.34 H new ATOM 0 HB2 GLU A 41 -6.831 7.848 -12.220 1.00 51.40 H new ATOM 0 HB3 GLU A 41 -7.293 9.526 -12.424 1.00 51.40 H new ATOM 0 HG2 GLU A 41 -7.413 9.686 -10.196 1.00 0.15 H new ATOM 0 HG3 GLU A 41 -8.842 8.673 -10.257 1.00 0.15 H new ATOM 623 N GLU A 42 -10.162 9.961 -13.702 1.00 31.32 N ATOM 624 CA GLU A 42 -10.540 10.916 -14.737 1.00 21.40 C ATOM 625 C GLU A 42 -10.328 12.349 -14.259 1.00 5.05 C ATOM 626 O GLU A 42 -10.607 12.678 -13.105 1.00 41.43 O ATOM 627 CB GLU A 42 -12.002 10.712 -15.140 1.00 42.45 C ATOM 628 CG GLU A 42 -12.221 9.516 -16.051 1.00 52.23 C ATOM 629 CD GLU A 42 -13.671 9.075 -16.096 1.00 53.22 C ATOM 630 OE1 GLU A 42 -14.489 9.651 -15.349 1.00 13.34 O ATOM 631 OE2 GLU A 42 -13.988 8.155 -16.878 1.00 32.40 O ATOM 0 H GLU A 42 -10.701 10.038 -12.840 1.00 31.32 H new ATOM 0 HA GLU A 42 -9.904 10.743 -15.605 1.00 21.40 H new ATOM 0 HB2 GLU A 42 -12.604 10.588 -14.240 1.00 42.45 H new ATOM 0 HB3 GLU A 42 -12.361 11.611 -15.642 1.00 42.45 H new ATOM 0 HG2 GLU A 42 -11.890 9.766 -17.059 1.00 52.23 H new ATOM 0 HG3 GLU A 42 -11.603 8.686 -15.709 1.00 52.23 H new ATOM 638 N HIS A 43 -9.831 13.198 -15.153 1.00 24.31 N ATOM 639 CA HIS A 43 -9.580 14.596 -14.823 1.00 12.30 C ATOM 640 C HIS A 43 -9.636 15.468 -16.074 1.00 15.01 C ATOM 641 O HIS A 43 -9.167 15.071 -17.140 1.00 44.43 O ATOM 642 CB HIS A 43 -8.219 14.746 -14.144 1.00 3.04 C ATOM 643 CG HIS A 43 -8.309 14.986 -12.668 1.00 42.30 C ATOM 644 ND1 HIS A 43 -9.241 15.828 -12.098 1.00 62.30 N ATOM 645 CD2 HIS A 43 -7.578 14.488 -11.644 1.00 5.33 C ATOM 646 CE1 HIS A 43 -9.078 15.838 -10.787 1.00 43.21 C ATOM 647 NE2 HIS A 43 -8.075 15.033 -10.486 1.00 1.25 N ATOM 0 H HIS A 43 -9.594 12.942 -16.112 1.00 24.31 H new ATOM 0 HA HIS A 43 -10.359 14.926 -14.135 1.00 12.30 H new ATOM 0 HB2 HIS A 43 -7.632 13.845 -14.322 1.00 3.04 H new ATOM 0 HB3 HIS A 43 -7.681 15.574 -14.606 1.00 3.04 H new ATOM 0 HD1 HIS A 43 -9.946 16.360 -12.609 1.00 62.30 H new ATOM 0 HD2 HIS A 43 -6.756 13.791 -11.723 1.00 5.33 H new ATOM 0 HE1 HIS A 43 -9.665 16.407 -10.082 1.00 43.21 H new ATOM 655 N SER A 44 -10.215 16.657 -15.935 1.00 60.34 N ATOM 656 CA SER A 44 -10.337 17.583 -17.055 1.00 62.44 C ATOM 657 C SER A 44 -9.515 18.844 -16.809 1.00 14.42 C ATOM 658 O SER A 44 -9.704 19.536 -15.808 1.00 24.24 O ATOM 659 CB SER A 44 -11.804 17.952 -17.282 1.00 71.31 C ATOM 660 OG SER A 44 -12.665 17.087 -16.561 1.00 3.31 O ATOM 0 H SER A 44 -10.607 17.001 -15.058 1.00 60.34 H new ATOM 0 HA SER A 44 -9.953 17.088 -17.947 1.00 62.44 H new ATOM 0 HB2 SER A 44 -11.975 18.983 -16.971 1.00 71.31 H new ATOM 0 HB3 SER A 44 -12.036 17.897 -18.346 1.00 71.31 H new ATOM 0 HG SER A 44 -13.580 17.437 -16.591 1.00 3.31 H new ATOM 666 N PHE A 45 -8.603 19.138 -17.729 1.00 53.35 N ATOM 667 CA PHE A 45 -7.751 20.316 -17.613 1.00 13.11 C ATOM 668 C PHE A 45 -7.286 20.510 -16.173 1.00 5.11 C ATOM 669 O PHE A 45 -7.710 21.444 -15.491 1.00 25.33 O ATOM 670 CB PHE A 45 -8.499 21.562 -18.091 1.00 55.21 C ATOM 671 CG PHE A 45 -7.598 22.727 -18.386 1.00 23.34 C ATOM 672 CD1 PHE A 45 -6.886 22.786 -19.573 1.00 22.31 C ATOM 673 CD2 PHE A 45 -7.462 23.763 -17.475 1.00 72.54 C ATOM 674 CE1 PHE A 45 -6.055 23.856 -19.846 1.00 22.32 C ATOM 675 CE2 PHE A 45 -6.633 24.835 -17.743 1.00 41.51 C ATOM 676 CZ PHE A 45 -5.929 24.882 -18.930 1.00 51.44 C ATOM 0 H PHE A 45 -8.435 18.577 -18.564 1.00 53.35 H new ATOM 0 HA PHE A 45 -6.874 20.163 -18.243 1.00 13.11 H new ATOM 0 HB2 PHE A 45 -9.064 21.314 -18.989 1.00 55.21 H new ATOM 0 HB3 PHE A 45 -9.222 21.856 -17.330 1.00 55.21 H new ATOM 0 HD1 PHE A 45 -6.981 21.987 -20.293 1.00 22.31 H new ATOM 0 HD2 PHE A 45 -8.010 23.732 -16.545 1.00 72.54 H new ATOM 0 HE1 PHE A 45 -5.505 23.890 -20.775 1.00 22.32 H new ATOM 0 HE2 PHE A 45 -6.536 25.636 -17.025 1.00 41.51 H new ATOM 0 HZ PHE A 45 -5.281 25.720 -19.142 1.00 51.44 H new ATOM 686 N THR A 46 -6.410 19.620 -15.715 1.00 42.45 N ATOM 687 CA THR A 46 -5.887 19.691 -14.357 1.00 10.41 C ATOM 688 C THR A 46 -4.700 18.752 -14.175 1.00 34.04 C ATOM 689 O THR A 46 -3.734 19.084 -13.488 1.00 62.50 O ATOM 690 CB THR A 46 -6.970 19.340 -13.319 1.00 62.33 C ATOM 691 OG1 THR A 46 -6.421 19.401 -11.998 1.00 44.12 O ATOM 692 CG2 THR A 46 -7.534 17.950 -13.575 1.00 42.34 C ATOM 0 H THR A 46 -6.048 18.841 -16.266 1.00 42.45 H new ATOM 0 HA THR A 46 -5.561 20.719 -14.197 1.00 10.41 H new ATOM 0 HB THR A 46 -7.778 20.066 -13.410 1.00 62.33 H new ATOM 0 HG1 THR A 46 -7.116 19.178 -11.344 1.00 44.12 H new ATOM 0 HG21 THR A 46 -8.297 17.724 -12.830 1.00 42.34 H new ATOM 0 HG22 THR A 46 -7.977 17.915 -14.570 1.00 42.34 H new ATOM 0 HG23 THR A 46 -6.733 17.214 -13.508 1.00 42.34 H new ATOM 700 N ASP A 47 -4.780 17.579 -14.794 1.00 3.42 N ATOM 701 CA ASP A 47 -3.711 16.592 -14.701 1.00 64.02 C ATOM 702 C ASP A 47 -2.413 17.139 -15.288 1.00 52.04 C ATOM 703 O ASP A 47 -2.416 17.761 -16.350 1.00 2.41 O ATOM 704 CB ASP A 47 -4.111 15.306 -15.426 1.00 43.12 C ATOM 705 CG ASP A 47 -3.777 14.062 -14.626 1.00 41.40 C ATOM 706 OD1 ASP A 47 -4.591 13.678 -13.761 1.00 22.12 O ATOM 707 OD2 ASP A 47 -2.701 13.474 -14.864 1.00 52.14 O ATOM 0 H ASP A 47 -5.574 17.289 -15.365 1.00 3.42 H new ATOM 0 HA ASP A 47 -3.546 16.370 -13.647 1.00 64.02 H new ATOM 0 HB2 ASP A 47 -5.181 15.326 -15.631 1.00 43.12 H new ATOM 0 HB3 ASP A 47 -3.603 15.262 -16.389 1.00 43.12 H new ATOM 712 N GLU A 48 -1.307 16.903 -14.590 1.00 33.15 N ATOM 713 CA GLU A 48 -0.004 17.374 -15.042 1.00 4.24 C ATOM 714 C GLU A 48 0.718 16.293 -15.841 1.00 43.53 C ATOM 715 O GLU A 48 1.941 16.319 -15.978 1.00 13.21 O ATOM 716 CB GLU A 48 0.853 17.798 -13.847 1.00 30.45 C ATOM 717 CG GLU A 48 0.569 19.210 -13.364 1.00 12.10 C ATOM 718 CD GLU A 48 1.242 20.265 -14.220 1.00 11.51 C ATOM 719 OE1 GLU A 48 0.707 20.579 -15.304 1.00 61.42 O ATOM 720 OE2 GLU A 48 2.303 20.778 -13.806 1.00 72.22 O ATOM 0 H GLU A 48 -1.288 16.389 -13.709 1.00 33.15 H new ATOM 0 HA GLU A 48 -0.163 18.236 -15.690 1.00 4.24 H new ATOM 0 HB2 GLU A 48 0.685 17.102 -13.025 1.00 30.45 H new ATOM 0 HB3 GLU A 48 1.905 17.721 -14.120 1.00 30.45 H new ATOM 0 HG2 GLU A 48 -0.508 19.380 -13.363 1.00 12.10 H new ATOM 0 HG3 GLU A 48 0.908 19.313 -12.333 1.00 12.10 H new ATOM 727 N GLY A 49 -0.048 15.343 -16.368 1.00 15.23 N ATOM 728 CA GLY A 49 0.534 14.266 -17.146 1.00 44.34 C ATOM 729 C GLY A 49 0.608 14.594 -18.625 1.00 25.14 C ATOM 730 O GLY A 49 1.534 14.169 -19.317 1.00 34.44 O ATOM 0 H GLY A 49 -1.062 15.300 -16.270 1.00 15.23 H new ATOM 0 HA2 GLY A 49 1.536 14.053 -16.774 1.00 44.34 H new ATOM 0 HA3 GLY A 49 -0.057 13.361 -17.007 1.00 44.34 H new ATOM 734 N VAL A 50 -0.370 15.351 -19.111 1.00 43.21 N ATOM 735 CA VAL A 50 -0.412 15.735 -20.517 1.00 11.10 C ATOM 736 C VAL A 50 -0.131 17.224 -20.689 1.00 32.32 C ATOM 737 O VAL A 50 -0.652 18.053 -19.944 1.00 5.14 O ATOM 738 CB VAL A 50 -1.778 15.405 -21.148 1.00 10.51 C ATOM 739 CG1 VAL A 50 -2.866 16.289 -20.557 1.00 34.41 C ATOM 740 CG2 VAL A 50 -1.717 15.560 -22.660 1.00 31.20 C ATOM 0 H VAL A 50 -1.144 15.711 -18.552 1.00 43.21 H new ATOM 0 HA VAL A 50 0.363 15.161 -21.025 1.00 11.10 H new ATOM 0 HB VAL A 50 -2.023 14.367 -20.921 1.00 10.51 H new ATOM 0 HG11 VAL A 50 -3.824 16.042 -21.014 1.00 34.41 H new ATOM 0 HG12 VAL A 50 -2.924 16.124 -19.481 1.00 34.41 H new ATOM 0 HG13 VAL A 50 -2.630 17.335 -20.751 1.00 34.41 H new ATOM 0 HG21 VAL A 50 -2.690 15.323 -23.090 1.00 31.20 H new ATOM 0 HG22 VAL A 50 -1.450 16.587 -22.910 1.00 31.20 H new ATOM 0 HG23 VAL A 50 -0.967 14.881 -23.065 1.00 31.20 H new ATOM 750 N GLU A 51 0.695 17.554 -21.677 1.00 12.34 N ATOM 751 CA GLU A 51 1.045 18.944 -21.946 1.00 31.02 C ATOM 752 C GLU A 51 0.312 19.460 -23.181 1.00 4.21 C ATOM 753 O GLU A 51 0.114 18.726 -24.149 1.00 53.15 O ATOM 754 CB GLU A 51 2.556 19.084 -22.140 1.00 62.00 C ATOM 755 CG GLU A 51 3.346 19.015 -20.844 1.00 35.45 C ATOM 756 CD GLU A 51 4.497 18.031 -20.914 1.00 23.13 C ATOM 757 OE1 GLU A 51 4.279 16.893 -21.380 1.00 43.54 O ATOM 758 OE2 GLU A 51 5.617 18.399 -20.502 1.00 3.43 O ATOM 0 H GLU A 51 1.134 16.879 -22.303 1.00 12.34 H new ATOM 0 HA GLU A 51 0.740 19.542 -21.087 1.00 31.02 H new ATOM 0 HB2 GLU A 51 2.902 18.296 -22.809 1.00 62.00 H new ATOM 0 HB3 GLU A 51 2.764 20.034 -22.632 1.00 62.00 H new ATOM 0 HG2 GLU A 51 3.734 20.006 -20.606 1.00 35.45 H new ATOM 0 HG3 GLU A 51 2.678 18.730 -20.031 1.00 35.45 H new ATOM 765 N ILE A 52 -0.087 20.727 -23.138 1.00 62.24 N ATOM 766 CA ILE A 52 -0.797 21.341 -24.253 1.00 44.34 C ATOM 767 C ILE A 52 0.062 22.402 -24.934 1.00 60.32 C ATOM 768 O ILE A 52 0.708 23.213 -24.270 1.00 73.42 O ATOM 769 CB ILE A 52 -2.118 21.985 -23.793 1.00 72.45 C ATOM 770 CG1 ILE A 52 -2.797 21.108 -22.739 1.00 13.52 C ATOM 771 CG2 ILE A 52 -3.042 22.204 -24.982 1.00 51.31 C ATOM 772 CD1 ILE A 52 -3.044 19.689 -23.200 1.00 50.11 C ATOM 0 H ILE A 52 0.069 21.348 -22.344 1.00 62.24 H new ATOM 0 HA ILE A 52 -1.018 20.544 -24.963 1.00 44.34 H new ATOM 0 HB ILE A 52 -1.897 22.954 -23.346 1.00 72.45 H new ATOM 0 HG12 ILE A 52 -2.178 21.087 -21.842 1.00 13.52 H new ATOM 0 HG13 ILE A 52 -3.748 21.561 -22.459 1.00 13.52 H new ATOM 0 HG21 ILE A 52 -3.972 22.660 -24.641 1.00 51.31 H new ATOM 0 HG22 ILE A 52 -2.558 22.863 -25.703 1.00 51.31 H new ATOM 0 HG23 ILE A 52 -3.260 21.246 -25.455 1.00 51.31 H new ATOM 0 HD11 ILE A 52 -3.528 19.126 -22.402 1.00 50.11 H new ATOM 0 HD12 ILE A 52 -3.689 19.699 -24.079 1.00 50.11 H new ATOM 0 HD13 ILE A 52 -2.094 19.218 -23.452 1.00 50.11 H new ATOM 784 N SER A 53 0.063 22.391 -26.263 1.00 61.34 N ATOM 785 CA SER A 53 0.844 23.350 -27.035 1.00 51.41 C ATOM 786 C SER A 53 0.081 23.796 -28.279 1.00 62.12 C ATOM 787 O SER A 53 -0.528 22.982 -28.972 1.00 43.13 O ATOM 788 CB SER A 53 2.188 22.740 -27.438 1.00 54.02 C ATOM 789 OG SER A 53 3.239 23.678 -27.289 1.00 41.22 O ATOM 0 H SER A 53 -0.468 21.728 -26.828 1.00 61.34 H new ATOM 0 HA SER A 53 1.024 24.223 -26.408 1.00 51.41 H new ATOM 0 HB2 SER A 53 2.391 21.862 -26.825 1.00 54.02 H new ATOM 0 HB3 SER A 53 2.142 22.402 -28.473 1.00 54.02 H new ATOM 0 HG SER A 53 4.087 23.263 -27.551 1.00 41.22 H new ATOM 795 N GLY A 54 0.120 25.096 -28.556 1.00 32.04 N ATOM 796 CA GLY A 54 -0.571 25.629 -29.715 1.00 71.43 C ATOM 797 C GLY A 54 -1.599 26.680 -29.346 1.00 22.23 C ATOM 798 O GLY A 54 -1.946 27.533 -30.163 1.00 31.30 O ATOM 0 H GLY A 54 0.618 25.789 -27.998 1.00 32.04 H new ATOM 0 HA2 GLY A 54 0.157 26.063 -30.400 1.00 71.43 H new ATOM 0 HA3 GLY A 54 -1.063 24.815 -30.247 1.00 71.43 H new ATOM 802 N TYR A 55 -2.088 26.619 -28.112 1.00 61.43 N ATOM 803 CA TYR A 55 -3.085 27.570 -27.638 1.00 14.25 C ATOM 804 C TYR A 55 -2.427 28.872 -27.192 1.00 12.41 C ATOM 805 O TYR A 55 -1.450 28.863 -26.443 1.00 31.20 O ATOM 806 CB TYR A 55 -3.885 26.968 -26.481 1.00 12.20 C ATOM 807 CG TYR A 55 -4.492 28.003 -25.561 1.00 1.41 C ATOM 808 CD1 TYR A 55 -3.792 28.475 -24.457 1.00 35.13 C ATOM 809 CD2 TYR A 55 -5.765 28.509 -25.795 1.00 5.20 C ATOM 810 CE1 TYR A 55 -4.343 29.420 -23.613 1.00 1.12 C ATOM 811 CE2 TYR A 55 -6.322 29.456 -24.957 1.00 72.44 C ATOM 812 CZ TYR A 55 -5.608 29.908 -23.868 1.00 23.34 C ATOM 813 OH TYR A 55 -6.160 30.849 -23.030 1.00 53.31 O ATOM 0 H TYR A 55 -1.810 25.921 -27.423 1.00 61.43 H new ATOM 0 HA TYR A 55 -3.762 27.790 -28.464 1.00 14.25 H new ATOM 0 HB2 TYR A 55 -4.681 26.344 -26.887 1.00 12.20 H new ATOM 0 HB3 TYR A 55 -3.233 26.316 -25.900 1.00 12.20 H new ATOM 0 HD1 TYR A 55 -2.801 28.097 -24.255 1.00 35.13 H new ATOM 0 HD2 TYR A 55 -6.328 28.156 -26.646 1.00 5.20 H new ATOM 0 HE1 TYR A 55 -3.786 29.775 -22.758 1.00 1.12 H new ATOM 0 HE2 TYR A 55 -7.312 29.840 -25.154 1.00 72.44 H new ATOM 0 HH TYR A 55 -7.126 30.901 -23.187 1.00 53.31 H new ATOM 823 N ASP A 56 -2.971 29.992 -27.658 1.00 24.43 N ATOM 824 CA ASP A 56 -2.439 31.303 -27.307 1.00 3.40 C ATOM 825 C ASP A 56 -3.244 31.931 -26.174 1.00 14.11 C ATOM 826 O ASP A 56 -4.399 32.314 -26.358 1.00 53.15 O ATOM 827 CB ASP A 56 -2.449 32.225 -28.528 1.00 21.51 C ATOM 828 CG ASP A 56 -1.068 32.408 -29.126 1.00 1.51 C ATOM 829 OD1 ASP A 56 -0.422 31.391 -29.453 1.00 30.54 O ATOM 830 OD2 ASP A 56 -0.633 33.570 -29.268 1.00 14.40 O ATOM 0 H ASP A 56 -3.780 30.017 -28.279 1.00 24.43 H new ATOM 0 HA ASP A 56 -1.411 31.172 -26.969 1.00 3.40 H new ATOM 0 HB2 ASP A 56 -3.118 31.814 -29.284 1.00 21.51 H new ATOM 0 HB3 ASP A 56 -2.850 33.197 -28.242 1.00 21.51 H new ATOM 835 N ALA A 57 -2.627 32.032 -25.001 1.00 53.22 N ATOM 836 CA ALA A 57 -3.287 32.614 -23.839 1.00 5.13 C ATOM 837 C ALA A 57 -3.553 34.101 -24.046 1.00 12.11 C ATOM 838 O ALA A 57 -4.312 34.714 -23.296 1.00 55.43 O ATOM 839 CB ALA A 57 -2.445 32.396 -22.590 1.00 64.33 C ATOM 0 H ALA A 57 -1.671 31.718 -24.831 1.00 53.22 H new ATOM 0 HA ALA A 57 -4.247 32.114 -23.709 1.00 5.13 H new ATOM 0 HB1 ALA A 57 -2.950 32.836 -21.730 1.00 64.33 H new ATOM 0 HB2 ALA A 57 -2.310 31.327 -22.424 1.00 64.33 H new ATOM 0 HB3 ALA A 57 -1.472 32.869 -22.720 1.00 64.33 H new ATOM 845 N GLN A 58 -2.923 34.674 -25.066 1.00 74.05 N ATOM 846 CA GLN A 58 -3.093 36.090 -25.370 1.00 45.02 C ATOM 847 C GLN A 58 -4.235 36.302 -26.358 1.00 11.32 C ATOM 848 O GLN A 58 -4.822 37.382 -26.422 1.00 14.53 O ATOM 849 CB GLN A 58 -1.796 36.670 -25.939 1.00 74.44 C ATOM 850 CG GLN A 58 -0.849 37.202 -24.876 1.00 32.40 C ATOM 851 CD GLN A 58 0.371 37.879 -25.468 1.00 11.45 C ATOM 852 OE1 GLN A 58 0.587 37.848 -26.679 1.00 75.35 O ATOM 853 NE2 GLN A 58 1.177 38.498 -24.613 1.00 43.10 N ATOM 0 H GLN A 58 -2.291 34.180 -25.696 1.00 74.05 H new ATOM 0 HA GLN A 58 -3.339 36.608 -24.443 1.00 45.02 H new ATOM 0 HB2 GLN A 58 -1.285 35.899 -26.515 1.00 74.44 H new ATOM 0 HB3 GLN A 58 -2.041 37.476 -26.631 1.00 74.44 H new ATOM 0 HG2 GLN A 58 -1.382 37.911 -24.242 1.00 32.40 H new ATOM 0 HG3 GLN A 58 -0.529 36.380 -24.236 1.00 32.40 H new ATOM 0 HE21 GLN A 58 0.960 38.499 -23.616 1.00 43.10 H new ATOM 0 HE22 GLN A 58 2.013 38.973 -24.953 1.00 43.10 H new ATOM 862 N LYS A 59 -4.546 35.265 -27.127 1.00 63.44 N ATOM 863 CA LYS A 59 -5.619 35.336 -28.112 1.00 63.21 C ATOM 864 C LYS A 59 -6.054 33.939 -28.544 1.00 14.22 C ATOM 865 O LYS A 59 -5.227 33.042 -28.707 1.00 72.42 O ATOM 866 CB LYS A 59 -5.166 36.140 -29.333 1.00 10.43 C ATOM 867 CG LYS A 59 -5.646 37.582 -29.323 1.00 62.52 C ATOM 868 CD LYS A 59 -4.481 38.557 -29.328 1.00 2.12 C ATOM 869 CE LYS A 59 -4.810 39.815 -30.117 1.00 71.33 C ATOM 870 NZ LYS A 59 -5.929 40.580 -29.501 1.00 31.33 N ATOM 0 H LYS A 59 -4.070 34.364 -27.087 1.00 63.44 H new ATOM 0 HA LYS A 59 -6.470 35.836 -27.650 1.00 63.21 H new ATOM 0 HB2 LYS A 59 -4.077 36.128 -29.382 1.00 10.43 H new ATOM 0 HB3 LYS A 59 -5.531 35.650 -30.236 1.00 10.43 H new ATOM 0 HG2 LYS A 59 -6.277 37.763 -30.194 1.00 62.52 H new ATOM 0 HG3 LYS A 59 -6.263 37.755 -28.441 1.00 62.52 H new ATOM 0 HD2 LYS A 59 -4.226 38.826 -28.303 1.00 2.12 H new ATOM 0 HD3 LYS A 59 -3.604 38.075 -29.759 1.00 2.12 H new ATOM 0 HE2 LYS A 59 -3.925 40.449 -30.175 1.00 71.33 H new ATOM 0 HE3 LYS A 59 -5.075 39.544 -31.139 1.00 71.33 H new ATOM 0 HZ1 LYS A 59 -6.089 41.455 -30.039 1.00 31.33 H new ATOM 0 HZ2 LYS A 59 -6.794 40.002 -29.515 1.00 31.33 H new ATOM 0 HZ3 LYS A 59 -5.687 40.817 -28.518 1.00 31.33 H new ATOM 884 N THR A 60 -7.359 33.762 -28.729 1.00 30.11 N ATOM 885 CA THR A 60 -7.904 32.475 -29.142 1.00 54.10 C ATOM 886 C THR A 60 -8.460 32.543 -30.560 1.00 14.22 C ATOM 887 O THR A 60 -7.810 32.118 -31.513 1.00 44.03 O ATOM 888 CB THR A 60 -9.018 32.005 -28.188 1.00 35.31 C ATOM 889 OG1 THR A 60 -9.784 33.128 -27.738 1.00 32.35 O ATOM 890 CG2 THR A 60 -8.432 31.271 -26.991 1.00 50.50 C ATOM 0 H THR A 60 -8.057 34.494 -28.599 1.00 30.11 H new ATOM 0 HA THR A 60 -7.083 31.759 -29.111 1.00 54.10 H new ATOM 0 HB THR A 60 -9.666 31.319 -28.733 1.00 35.31 H new ATOM 0 HG1 THR A 60 -9.388 33.486 -26.916 1.00 32.35 H new ATOM 0 HG21 THR A 60 -9.238 30.949 -26.332 1.00 50.50 H new ATOM 0 HG22 THR A 60 -7.875 30.400 -27.336 1.00 50.50 H new ATOM 0 HG23 THR A 60 -7.763 31.938 -26.447 1.00 50.50 H new ATOM 898 N GLY A 61 -9.669 33.082 -30.692 1.00 1.04 N ATOM 899 CA GLY A 61 -10.292 33.196 -31.997 1.00 43.43 C ATOM 900 C GLY A 61 -10.199 31.913 -32.798 1.00 60.13 C ATOM 901 O GLY A 61 -9.664 31.903 -33.907 1.00 72.42 O ATOM 0 H GLY A 61 -10.227 33.442 -29.918 1.00 1.04 H new ATOM 0 HA2 GLY A 61 -11.340 33.468 -31.873 1.00 43.43 H new ATOM 0 HA3 GLY A 61 -9.817 34.004 -32.554 1.00 43.43 H new ATOM 905 N ARG A 62 -10.719 30.827 -32.236 1.00 14.23 N ATOM 906 CA ARG A 62 -10.690 29.532 -32.904 1.00 32.32 C ATOM 907 C ARG A 62 -9.255 29.044 -33.083 1.00 13.44 C ATOM 908 O ARG A 62 -8.778 28.890 -34.206 1.00 74.25 O ATOM 909 CB ARG A 62 -11.383 29.620 -34.265 1.00 15.14 C ATOM 910 CG ARG A 62 -11.965 28.298 -34.739 1.00 11.32 C ATOM 911 CD ARG A 62 -11.083 27.648 -35.793 1.00 72.12 C ATOM 912 NE ARG A 62 -11.867 26.937 -36.800 1.00 10.21 N ATOM 913 CZ ARG A 62 -11.328 26.263 -37.810 1.00 12.51 C ATOM 914 NH1 ARG A 62 -10.011 26.209 -37.947 1.00 25.34 N ATOM 915 NH2 ARG A 62 -12.108 25.642 -38.686 1.00 1.34 N ATOM 0 H ARG A 62 -11.166 30.818 -31.319 1.00 14.23 H new ATOM 0 HA ARG A 62 -11.223 28.817 -32.278 1.00 32.32 H new ATOM 0 HB2 ARG A 62 -12.182 30.360 -34.209 1.00 15.14 H new ATOM 0 HB3 ARG A 62 -10.667 29.978 -35.005 1.00 15.14 H new ATOM 0 HG2 ARG A 62 -12.077 27.623 -33.890 1.00 11.32 H new ATOM 0 HG3 ARG A 62 -12.961 28.464 -35.148 1.00 11.32 H new ATOM 0 HD2 ARG A 62 -10.476 28.412 -36.279 1.00 72.12 H new ATOM 0 HD3 ARG A 62 -10.395 26.953 -35.312 1.00 72.12 H new ATOM 0 HE ARG A 62 -12.884 26.959 -36.723 1.00 10.21 H new ATOM 0 HH11 ARG A 62 -9.408 26.686 -37.276 1.00 25.34 H new ATOM 0 HH12 ARG A 62 -9.600 25.691 -38.723 1.00 25.34 H new ATOM 0 HH21 ARG A 62 -13.122 25.682 -38.584 1.00 1.34 H new ATOM 0 HH22 ARG A 62 -11.693 25.125 -39.461 1.00 1.34 H new ATOM 929 N GLN A 63 -8.574 28.805 -31.967 1.00 3.31 N ATOM 930 CA GLN A 63 -7.193 28.337 -32.001 1.00 73.03 C ATOM 931 C GLN A 63 -7.126 26.826 -31.808 1.00 31.33 C ATOM 932 O GLN A 63 -7.935 26.245 -31.084 1.00 34.43 O ATOM 933 CB GLN A 63 -6.367 29.039 -30.922 1.00 35.44 C ATOM 934 CG GLN A 63 -5.605 30.251 -31.431 1.00 1.02 C ATOM 935 CD GLN A 63 -4.163 29.932 -31.772 1.00 42.25 C ATOM 936 OE1 GLN A 63 -3.822 28.787 -32.071 1.00 1.21 O ATOM 937 NE2 GLN A 63 -3.306 30.946 -31.731 1.00 12.02 N ATOM 0 H GLN A 63 -8.955 28.927 -31.029 1.00 3.31 H new ATOM 0 HA GLN A 63 -6.778 28.579 -32.980 1.00 73.03 H new ATOM 0 HB2 GLN A 63 -7.029 29.350 -30.114 1.00 35.44 H new ATOM 0 HB3 GLN A 63 -5.659 28.327 -30.498 1.00 35.44 H new ATOM 0 HG2 GLN A 63 -6.105 30.645 -32.316 1.00 1.02 H new ATOM 0 HG3 GLN A 63 -5.631 31.036 -30.675 1.00 1.02 H new ATOM 0 HE21 GLN A 63 -3.632 31.879 -31.478 1.00 12.02 H new ATOM 0 HE22 GLN A 63 -2.322 30.792 -31.952 1.00 12.02 H new ATOM 946 N THR A 64 -6.156 26.193 -32.460 1.00 62.20 N ATOM 947 CA THR A 64 -5.984 24.749 -32.361 1.00 42.01 C ATOM 948 C THR A 64 -5.074 24.382 -31.194 1.00 52.41 C ATOM 949 O THR A 64 -4.177 25.144 -30.830 1.00 22.40 O ATOM 950 CB THR A 64 -5.396 24.163 -33.659 1.00 13.01 C ATOM 951 OG1 THR A 64 -4.604 25.151 -34.328 1.00 35.11 O ATOM 952 CG2 THR A 64 -6.503 23.681 -34.584 1.00 70.25 C ATOM 0 H THR A 64 -5.477 26.658 -33.063 1.00 62.20 H new ATOM 0 HA THR A 64 -6.974 24.324 -32.194 1.00 42.01 H new ATOM 0 HB THR A 64 -4.768 23.312 -33.396 1.00 13.01 H new ATOM 0 HG1 THR A 64 -4.233 24.770 -35.151 1.00 35.11 H new ATOM 0 HG21 THR A 64 -6.064 23.271 -35.494 1.00 70.25 H new ATOM 0 HG22 THR A 64 -7.086 22.908 -34.082 1.00 70.25 H new ATOM 0 HG23 THR A 64 -7.154 24.517 -34.840 1.00 70.25 H new ATOM 960 N LEU A 65 -5.310 23.212 -30.611 1.00 53.31 N ATOM 961 CA LEU A 65 -4.511 22.744 -29.484 1.00 61.34 C ATOM 962 C LEU A 65 -4.022 21.318 -29.719 1.00 32.00 C ATOM 963 O LEU A 65 -4.684 20.525 -30.390 1.00 44.45 O ATOM 964 CB LEU A 65 -5.327 22.809 -28.192 1.00 51.13 C ATOM 965 CG LEU A 65 -5.909 24.177 -27.835 1.00 1.25 C ATOM 966 CD1 LEU A 65 -7.218 24.410 -28.572 1.00 72.03 C ATOM 967 CD2 LEU A 65 -6.114 24.293 -26.331 1.00 60.21 C ATOM 0 H LEU A 65 -6.048 22.570 -30.900 1.00 53.31 H new ATOM 0 HA LEU A 65 -3.643 23.396 -29.390 1.00 61.34 H new ATOM 0 HB2 LEU A 65 -6.148 22.096 -28.268 1.00 51.13 H new ATOM 0 HB3 LEU A 65 -4.693 22.480 -27.369 1.00 51.13 H new ATOM 0 HG LEU A 65 -5.200 24.944 -28.146 1.00 1.25 H new ATOM 0 HD11 LEU A 65 -7.617 25.389 -28.305 1.00 72.03 H new ATOM 0 HD12 LEU A 65 -7.042 24.371 -29.647 1.00 72.03 H new ATOM 0 HD13 LEU A 65 -7.935 23.638 -28.293 1.00 72.03 H new ATOM 0 HD21 LEU A 65 -6.529 25.273 -26.095 1.00 60.21 H new ATOM 0 HD22 LEU A 65 -6.803 23.517 -25.997 1.00 60.21 H new ATOM 0 HD23 LEU A 65 -5.157 24.172 -25.823 1.00 60.21 H new ATOM 979 N THR A 66 -2.860 20.996 -29.159 1.00 41.53 N ATOM 980 CA THR A 66 -2.283 19.666 -29.306 1.00 42.33 C ATOM 981 C THR A 66 -1.813 19.119 -27.963 1.00 43.42 C ATOM 982 O THR A 66 -0.818 19.585 -27.405 1.00 54.42 O ATOM 983 CB THR A 66 -1.096 19.674 -30.288 1.00 51.23 C ATOM 984 OG1 THR A 66 -0.771 21.020 -30.653 1.00 50.21 O ATOM 985 CG2 THR A 66 -1.422 18.869 -31.537 1.00 41.44 C ATOM 0 H THR A 66 -2.300 21.639 -28.599 1.00 41.53 H new ATOM 0 HA THR A 66 -3.069 19.023 -29.702 1.00 42.33 H new ATOM 0 HB THR A 66 -0.240 19.216 -29.793 1.00 51.23 H new ATOM 0 HG1 THR A 66 -0.519 21.525 -29.852 1.00 50.21 H new ATOM 0 HG21 THR A 66 -0.569 18.889 -32.216 1.00 41.44 H new ATOM 0 HG22 THR A 66 -1.640 17.838 -31.259 1.00 41.44 H new ATOM 0 HG23 THR A 66 -2.290 19.302 -32.033 1.00 41.44 H new ATOM 993 N LEU A 67 -2.532 18.128 -27.449 1.00 14.41 N ATOM 994 CA LEU A 67 -2.188 17.517 -26.170 1.00 70.40 C ATOM 995 C LEU A 67 -1.424 16.213 -26.378 1.00 42.12 C ATOM 996 O LEU A 67 -1.907 15.297 -27.045 1.00 10.40 O ATOM 997 CB LEU A 67 -3.453 17.254 -25.351 1.00 0.22 C ATOM 998 CG LEU A 67 -4.509 16.369 -26.012 1.00 74.45 C ATOM 999 CD1 LEU A 67 -4.956 15.269 -25.061 1.00 41.05 C ATOM 1000 CD2 LEU A 67 -5.700 17.203 -26.462 1.00 3.42 C ATOM 0 H LEU A 67 -3.357 17.730 -27.898 1.00 14.41 H new ATOM 0 HA LEU A 67 -1.547 18.210 -25.625 1.00 70.40 H new ATOM 0 HB2 LEU A 67 -3.161 16.794 -24.407 1.00 0.22 H new ATOM 0 HB3 LEU A 67 -3.911 18.213 -25.110 1.00 0.22 H new ATOM 0 HG LEU A 67 -4.064 15.903 -26.891 1.00 74.45 H new ATOM 0 HD11 LEU A 67 -5.708 14.649 -25.549 1.00 41.05 H new ATOM 0 HD12 LEU A 67 -4.099 14.653 -24.789 1.00 41.05 H new ATOM 0 HD13 LEU A 67 -5.382 15.716 -24.162 1.00 41.05 H new ATOM 0 HD21 LEU A 67 -6.441 16.556 -26.930 1.00 3.42 H new ATOM 0 HD22 LEU A 67 -6.144 17.698 -25.599 1.00 3.42 H new ATOM 0 HD23 LEU A 67 -5.368 17.953 -27.180 1.00 3.42 H new ATOM 1012 N HIS A 68 -0.229 16.135 -25.802 1.00 4.24 N ATOM 1013 CA HIS A 68 0.602 14.942 -25.922 1.00 11.14 C ATOM 1014 C HIS A 68 0.941 14.375 -24.546 1.00 55.41 C ATOM 1015 O HIS A 68 1.381 15.103 -23.655 1.00 72.54 O ATOM 1016 CB HIS A 68 1.887 15.264 -26.684 1.00 4.41 C ATOM 1017 CG HIS A 68 2.294 14.196 -27.651 1.00 60.33 C ATOM 1018 ND1 HIS A 68 2.414 14.414 -29.007 1.00 41.35 N ATOM 1019 CD2 HIS A 68 2.611 12.895 -27.452 1.00 33.11 C ATOM 1020 CE1 HIS A 68 2.785 13.294 -29.601 1.00 23.24 C ATOM 1021 NE2 HIS A 68 2.912 12.356 -28.679 1.00 10.53 N ATOM 0 H HIS A 68 0.186 16.884 -25.247 1.00 4.24 H new ATOM 0 HA HIS A 68 0.038 14.191 -26.476 1.00 11.14 H new ATOM 0 HB2 HIS A 68 1.754 16.201 -27.225 1.00 4.41 H new ATOM 0 HB3 HIS A 68 2.694 15.421 -25.968 1.00 4.41 H new ATOM 0 HD2 HIS A 68 2.625 12.377 -26.504 1.00 33.11 H new ATOM 0 HE1 HIS A 68 2.955 13.167 -30.660 1.00 23.24 H new ATOM 0 HE2 HIS A 68 3.188 11.389 -28.851 1.00 10.53 H new ATOM 1029 N TYR A 69 0.732 13.074 -24.380 1.00 54.11 N ATOM 1030 CA TYR A 69 1.012 12.411 -23.112 1.00 73.33 C ATOM 1031 C TYR A 69 1.633 11.036 -23.342 1.00 50.42 C ATOM 1032 O TYR A 69 1.003 10.147 -23.913 1.00 33.44 O ATOM 1033 CB TYR A 69 -0.271 12.272 -22.291 1.00 73.20 C ATOM 1034 CG TYR A 69 -0.118 11.389 -21.073 1.00 70.22 C ATOM 1035 CD1 TYR A 69 1.006 11.480 -20.261 1.00 73.04 C ATOM 1036 CD2 TYR A 69 -1.098 10.464 -20.734 1.00 61.20 C ATOM 1037 CE1 TYR A 69 1.150 10.675 -19.148 1.00 60.33 C ATOM 1038 CE2 TYR A 69 -0.963 9.655 -19.622 1.00 3.41 C ATOM 1039 CZ TYR A 69 0.163 9.764 -18.833 1.00 2.24 C ATOM 1040 OH TYR A 69 0.303 8.961 -17.724 1.00 15.11 O ATOM 0 H TYR A 69 0.370 12.458 -25.107 1.00 54.11 H new ATOM 0 HA TYR A 69 1.724 13.024 -22.560 1.00 73.33 H new ATOM 0 HB2 TYR A 69 -0.598 13.262 -21.973 1.00 73.20 H new ATOM 0 HB3 TYR A 69 -1.057 11.866 -22.927 1.00 73.20 H new ATOM 0 HD1 TYR A 69 1.780 12.192 -20.504 1.00 73.04 H new ATOM 0 HD2 TYR A 69 -1.980 10.376 -21.350 1.00 61.20 H new ATOM 0 HE1 TYR A 69 2.030 10.758 -18.528 1.00 60.33 H new ATOM 0 HE2 TYR A 69 -1.734 8.942 -19.372 1.00 3.41 H new ATOM 0 HH TYR A 69 -0.479 8.376 -17.643 1.00 15.11 H new ATOM 1050 N GLN A 70 2.873 10.872 -22.893 1.00 0.31 N ATOM 1051 CA GLN A 70 3.580 9.607 -23.049 1.00 65.13 C ATOM 1052 C GLN A 70 3.843 9.309 -24.522 1.00 24.44 C ATOM 1053 O GLN A 70 4.941 9.542 -25.026 1.00 70.32 O ATOM 1054 CB GLN A 70 2.776 8.467 -22.422 1.00 14.53 C ATOM 1055 CG GLN A 70 3.331 7.992 -21.089 1.00 3.41 C ATOM 1056 CD GLN A 70 4.564 7.124 -21.247 1.00 11.04 C ATOM 1057 OE1 GLN A 70 5.692 7.616 -21.217 1.00 2.31 O ATOM 1058 NE2 GLN A 70 4.355 5.824 -21.416 1.00 34.34 N ATOM 0 H GLN A 70 3.408 11.599 -22.419 1.00 0.31 H new ATOM 0 HA GLN A 70 4.538 9.690 -22.536 1.00 65.13 H new ATOM 0 HB2 GLN A 70 1.746 8.795 -22.281 1.00 14.53 H new ATOM 0 HB3 GLN A 70 2.751 7.627 -23.116 1.00 14.53 H new ATOM 0 HG2 GLN A 70 3.577 8.857 -20.473 1.00 3.41 H new ATOM 0 HG3 GLN A 70 2.562 7.431 -20.558 1.00 3.41 H new ATOM 0 HE21 GLN A 70 3.403 5.459 -21.435 1.00 34.34 H new ATOM 0 HE22 GLN A 70 5.147 5.190 -21.527 1.00 34.34 H new ATOM 1067 N GLY A 71 2.828 8.791 -25.206 1.00 71.32 N ATOM 1068 CA GLY A 71 2.970 8.468 -26.614 1.00 40.51 C ATOM 1069 C GLY A 71 1.688 8.691 -27.392 1.00 22.40 C ATOM 1070 O GLY A 71 1.564 8.253 -28.537 1.00 2.55 O ATOM 0 H GLY A 71 1.910 8.589 -24.811 1.00 71.32 H new ATOM 0 HA2 GLY A 71 3.764 9.078 -27.045 1.00 40.51 H new ATOM 0 HA3 GLY A 71 3.277 7.427 -26.716 1.00 40.51 H new ATOM 1074 N HIS A 72 0.730 9.371 -26.770 1.00 24.22 N ATOM 1075 CA HIS A 72 -0.550 9.649 -27.411 1.00 43.12 C ATOM 1076 C HIS A 72 -0.693 11.137 -27.716 1.00 5.34 C ATOM 1077 O HIS A 72 -0.106 11.978 -27.035 1.00 11.11 O ATOM 1078 CB HIS A 72 -1.702 9.186 -26.520 1.00 12.15 C ATOM 1079 CG HIS A 72 -2.711 8.342 -27.235 1.00 72.32 C ATOM 1080 ND1 HIS A 72 -2.963 7.027 -26.904 1.00 65.14 N ATOM 1081 CD2 HIS A 72 -3.535 8.632 -28.269 1.00 14.32 C ATOM 1082 CE1 HIS A 72 -3.896 6.545 -27.705 1.00 34.32 C ATOM 1083 NE2 HIS A 72 -4.261 7.499 -28.542 1.00 13.12 N ATOM 0 H HIS A 72 0.816 9.740 -25.823 1.00 24.22 H new ATOM 0 HA HIS A 72 -0.584 9.099 -28.351 1.00 43.12 H new ATOM 0 HB2 HIS A 72 -1.297 8.620 -25.681 1.00 12.15 H new ATOM 0 HB3 HIS A 72 -2.202 10.060 -26.103 1.00 12.15 H new ATOM 0 HD2 HIS A 72 -3.608 9.579 -28.784 1.00 14.32 H new ATOM 0 HE1 HIS A 72 -4.293 5.541 -27.680 1.00 34.32 H new ATOM 0 HE2 HIS A 72 -4.967 7.409 -29.272 1.00 13.12 H new ATOM 1091 N GLU A 73 -1.475 11.454 -28.743 1.00 1.03 N ATOM 1092 CA GLU A 73 -1.692 12.841 -29.137 1.00 74.12 C ATOM 1093 C GLU A 73 -3.136 13.061 -29.579 1.00 74.31 C ATOM 1094 O GLU A 73 -3.701 12.253 -30.317 1.00 15.22 O ATOM 1095 CB GLU A 73 -0.737 13.229 -30.268 1.00 21.25 C ATOM 1096 CG GLU A 73 -1.125 12.651 -31.618 1.00 72.20 C ATOM 1097 CD GLU A 73 -1.077 11.135 -31.640 1.00 13.34 C ATOM 1098 OE1 GLU A 73 0.020 10.574 -31.436 1.00 12.23 O ATOM 1099 OE2 GLU A 73 -2.136 10.511 -31.860 1.00 64.34 O ATOM 0 H GLU A 73 -1.968 10.770 -29.317 1.00 1.03 H new ATOM 0 HA GLU A 73 -1.494 13.473 -28.271 1.00 74.12 H new ATOM 0 HB2 GLU A 73 -0.701 14.316 -30.345 1.00 21.25 H new ATOM 0 HB3 GLU A 73 0.269 12.893 -30.014 1.00 21.25 H new ATOM 0 HG2 GLU A 73 -2.131 12.983 -31.875 1.00 72.20 H new ATOM 0 HG3 GLU A 73 -0.455 13.043 -32.383 1.00 72.20 H new ATOM 1106 N VAL A 74 -3.728 14.160 -29.122 1.00 33.42 N ATOM 1107 CA VAL A 74 -5.106 14.487 -29.470 1.00 2.15 C ATOM 1108 C VAL A 74 -5.250 15.966 -29.810 1.00 41.12 C ATOM 1109 O VAL A 74 -4.576 16.816 -29.229 1.00 5.12 O ATOM 1110 CB VAL A 74 -6.072 14.139 -28.322 1.00 13.43 C ATOM 1111 CG1 VAL A 74 -7.516 14.264 -28.783 1.00 73.41 C ATOM 1112 CG2 VAL A 74 -5.791 12.741 -27.794 1.00 61.31 C ATOM 0 H VAL A 74 -3.275 14.839 -28.510 1.00 33.42 H new ATOM 0 HA VAL A 74 -5.363 13.889 -30.345 1.00 2.15 H new ATOM 0 HB VAL A 74 -5.913 14.848 -27.509 1.00 13.43 H new ATOM 0 HG11 VAL A 74 -8.184 14.014 -27.959 1.00 73.41 H new ATOM 0 HG12 VAL A 74 -7.707 15.287 -29.108 1.00 73.41 H new ATOM 0 HG13 VAL A 74 -7.693 13.581 -29.613 1.00 73.41 H new ATOM 0 HG21 VAL A 74 -6.483 12.512 -26.983 1.00 61.31 H new ATOM 0 HG22 VAL A 74 -5.921 12.016 -28.597 1.00 61.31 H new ATOM 0 HG23 VAL A 74 -4.768 12.691 -27.422 1.00 61.31 H new ATOM 1122 N SER A 75 -6.134 16.266 -30.756 1.00 51.51 N ATOM 1123 CA SER A 75 -6.365 17.643 -31.177 1.00 41.32 C ATOM 1124 C SER A 75 -7.539 18.254 -30.418 1.00 70.01 C ATOM 1125 O SER A 75 -8.499 17.563 -30.076 1.00 40.02 O ATOM 1126 CB SER A 75 -6.631 17.701 -32.683 1.00 31.33 C ATOM 1127 OG SER A 75 -7.524 18.753 -33.003 1.00 41.50 O ATOM 0 H SER A 75 -6.702 15.574 -31.245 1.00 51.51 H new ATOM 0 HA SER A 75 -5.469 18.221 -30.951 1.00 41.32 H new ATOM 0 HB2 SER A 75 -5.691 17.843 -33.216 1.00 31.33 H new ATOM 0 HB3 SER A 75 -7.048 16.751 -33.019 1.00 31.33 H new ATOM 0 HG SER A 75 -7.676 18.770 -33.971 1.00 41.50 H new ATOM 1133 N PHE A 76 -7.455 19.554 -30.158 1.00 2.44 N ATOM 1134 CA PHE A 76 -8.509 20.260 -29.438 1.00 20.30 C ATOM 1135 C PHE A 76 -8.793 21.615 -30.080 1.00 22.43 C ATOM 1136 O PHE A 76 -8.012 22.102 -30.897 1.00 3.42 O ATOM 1137 CB PHE A 76 -8.116 20.450 -27.972 1.00 24.34 C ATOM 1138 CG PHE A 76 -9.151 19.952 -27.004 1.00 23.51 C ATOM 1139 CD1 PHE A 76 -10.242 20.737 -26.672 1.00 15.15 C ATOM 1140 CD2 PHE A 76 -9.031 18.698 -26.426 1.00 75.31 C ATOM 1141 CE1 PHE A 76 -11.197 20.282 -25.782 1.00 30.44 C ATOM 1142 CE2 PHE A 76 -9.983 18.237 -25.536 1.00 60.21 C ATOM 1143 CZ PHE A 76 -11.066 19.030 -25.212 1.00 54.14 C ATOM 0 H PHE A 76 -6.668 20.141 -30.435 1.00 2.44 H new ATOM 0 HA PHE A 76 -9.415 19.657 -29.488 1.00 20.30 H new ATOM 0 HB2 PHE A 76 -7.176 19.930 -27.786 1.00 24.34 H new ATOM 0 HB3 PHE A 76 -7.937 21.509 -27.787 1.00 24.34 H new ATOM 0 HD1 PHE A 76 -10.348 21.717 -27.114 1.00 15.15 H new ATOM 0 HD2 PHE A 76 -8.185 18.074 -26.674 1.00 75.31 H new ATOM 0 HE1 PHE A 76 -12.044 20.904 -25.533 1.00 30.44 H new ATOM 0 HE2 PHE A 76 -9.880 17.257 -25.094 1.00 60.21 H new ATOM 0 HZ PHE A 76 -11.809 18.672 -24.515 1.00 54.14 H new ATOM 1153 N ASP A 77 -9.916 22.217 -29.704 1.00 61.52 N ATOM 1154 CA ASP A 77 -10.304 23.515 -30.242 1.00 10.42 C ATOM 1155 C ASP A 77 -10.702 24.470 -29.121 1.00 54.40 C ATOM 1156 O ASP A 77 -11.447 24.102 -28.212 1.00 61.14 O ATOM 1157 CB ASP A 77 -11.461 23.357 -31.229 1.00 51.34 C ATOM 1158 CG ASP A 77 -11.188 24.040 -32.555 1.00 53.50 C ATOM 1159 OD1 ASP A 77 -10.876 25.250 -32.546 1.00 72.15 O ATOM 1160 OD2 ASP A 77 -11.286 23.366 -33.601 1.00 31.40 O ATOM 0 H ASP A 77 -10.573 21.827 -29.029 1.00 61.52 H new ATOM 0 HA ASP A 77 -9.445 23.935 -30.766 1.00 10.42 H new ATOM 0 HB2 ASP A 77 -11.646 22.297 -31.401 1.00 51.34 H new ATOM 0 HB3 ASP A 77 -12.368 23.772 -30.790 1.00 51.34 H new ATOM 1165 N VAL A 78 -10.201 25.699 -29.191 1.00 42.43 N ATOM 1166 CA VAL A 78 -10.504 26.708 -28.183 1.00 31.22 C ATOM 1167 C VAL A 78 -11.214 27.907 -28.801 1.00 44.21 C ATOM 1168 O VAL A 78 -10.838 28.379 -29.875 1.00 41.01 O ATOM 1169 CB VAL A 78 -9.227 27.192 -27.471 1.00 22.30 C ATOM 1170 CG1 VAL A 78 -8.272 27.834 -28.465 1.00 41.34 C ATOM 1171 CG2 VAL A 78 -9.576 28.161 -26.352 1.00 22.03 C ATOM 0 H VAL A 78 -9.583 26.020 -29.936 1.00 42.43 H new ATOM 0 HA VAL A 78 -11.162 26.237 -27.452 1.00 31.22 H new ATOM 0 HB VAL A 78 -8.728 26.329 -27.030 1.00 22.30 H new ATOM 0 HG11 VAL A 78 -7.376 28.170 -27.944 1.00 41.34 H new ATOM 0 HG12 VAL A 78 -7.997 27.106 -29.228 1.00 41.34 H new ATOM 0 HG13 VAL A 78 -8.758 28.688 -28.937 1.00 41.34 H new ATOM 0 HG21 VAL A 78 -8.662 28.493 -25.860 1.00 22.03 H new ATOM 0 HG22 VAL A 78 -10.098 29.023 -26.767 1.00 22.03 H new ATOM 0 HG23 VAL A 78 -10.218 27.662 -25.626 1.00 22.03 H new ATOM 1181 N LEU A 79 -12.241 28.397 -28.116 1.00 52.04 N ATOM 1182 CA LEU A 79 -13.005 29.543 -28.598 1.00 5.34 C ATOM 1183 C LEU A 79 -13.450 30.427 -27.437 1.00 20.01 C ATOM 1184 O LEU A 79 -14.085 29.957 -26.493 1.00 20.41 O ATOM 1185 CB LEU A 79 -14.224 29.072 -29.392 1.00 21.11 C ATOM 1186 CG LEU A 79 -14.305 29.547 -30.843 1.00 4.51 C ATOM 1187 CD1 LEU A 79 -14.687 28.397 -31.761 1.00 53.21 C ATOM 1188 CD2 LEU A 79 -15.300 30.691 -30.975 1.00 4.33 C ATOM 0 H LEU A 79 -12.564 28.019 -27.225 1.00 52.04 H new ATOM 0 HA LEU A 79 -12.359 30.130 -29.251 1.00 5.34 H new ATOM 0 HB2 LEU A 79 -14.237 27.982 -29.386 1.00 21.11 H new ATOM 0 HB3 LEU A 79 -15.122 29.404 -28.871 1.00 21.11 H new ATOM 0 HG LEU A 79 -13.322 29.911 -31.141 1.00 4.51 H new ATOM 0 HD11 LEU A 79 -14.740 28.754 -32.789 1.00 53.21 H new ATOM 0 HD12 LEU A 79 -13.937 27.609 -31.689 1.00 53.21 H new ATOM 0 HD13 LEU A 79 -15.658 28.002 -31.464 1.00 53.21 H new ATOM 0 HD21 LEU A 79 -15.345 31.016 -32.014 1.00 4.33 H new ATOM 0 HD22 LEU A 79 -16.287 30.353 -30.658 1.00 4.33 H new ATOM 0 HD23 LEU A 79 -14.982 31.524 -30.348 1.00 4.33 H new ATOM 1200 N VAL A 80 -13.115 31.711 -27.515 1.00 24.14 N ATOM 1201 CA VAL A 80 -13.483 32.662 -26.472 1.00 62.34 C ATOM 1202 C VAL A 80 -14.745 33.429 -26.850 1.00 0.05 C ATOM 1203 O VAL A 80 -14.898 33.871 -27.988 1.00 51.21 O ATOM 1204 CB VAL A 80 -12.346 33.666 -26.202 1.00 35.44 C ATOM 1205 CG1 VAL A 80 -12.196 34.630 -27.369 1.00 32.34 C ATOM 1206 CG2 VAL A 80 -12.600 34.420 -24.905 1.00 53.13 C ATOM 0 H VAL A 80 -12.590 32.117 -28.289 1.00 24.14 H new ATOM 0 HA VAL A 80 -13.670 32.084 -25.567 1.00 62.34 H new ATOM 0 HB VAL A 80 -11.412 33.113 -26.098 1.00 35.44 H new ATOM 0 HG11 VAL A 80 -11.388 35.331 -27.160 1.00 32.34 H new ATOM 0 HG12 VAL A 80 -11.965 34.071 -28.276 1.00 32.34 H new ATOM 0 HG13 VAL A 80 -13.127 35.180 -27.509 1.00 32.34 H new ATOM 0 HG21 VAL A 80 -11.788 35.125 -24.729 1.00 53.13 H new ATOM 0 HG22 VAL A 80 -13.542 34.963 -24.978 1.00 53.13 H new ATOM 0 HG23 VAL A 80 -12.652 33.713 -24.077 1.00 53.13 H new ATOM 1216 N SER A 81 -15.647 33.584 -25.886 1.00 1.04 N ATOM 1217 CA SER A 81 -16.899 34.296 -26.117 1.00 65.40 C ATOM 1218 C SER A 81 -16.907 35.633 -25.383 1.00 43.12 C ATOM 1219 O SER A 81 -16.145 35.859 -24.443 1.00 45.21 O ATOM 1220 CB SER A 81 -18.085 33.444 -25.662 1.00 55.22 C ATOM 1221 OG SER A 81 -18.858 33.013 -26.769 1.00 63.14 O ATOM 0 H SER A 81 -15.534 33.226 -24.938 1.00 1.04 H new ATOM 0 HA SER A 81 -16.988 34.488 -27.186 1.00 65.40 H new ATOM 0 HB2 SER A 81 -17.723 32.578 -25.108 1.00 55.22 H new ATOM 0 HB3 SER A 81 -18.710 34.020 -24.980 1.00 55.22 H new ATOM 0 HG SER A 81 -19.609 32.469 -26.452 1.00 63.14 H new ATOM 1227 N PRO A 82 -17.790 36.542 -25.822 1.00 43.40 N ATOM 1228 CA PRO A 82 -17.920 37.873 -25.222 1.00 11.34 C ATOM 1229 C PRO A 82 -18.521 37.821 -23.821 1.00 55.23 C ATOM 1230 O PRO A 82 -19.636 37.334 -23.631 1.00 20.05 O ATOM 1231 CB PRO A 82 -18.862 38.605 -26.181 1.00 71.32 C ATOM 1232 CG PRO A 82 -19.652 37.523 -26.834 1.00 14.53 C ATOM 1233 CD PRO A 82 -18.729 36.341 -26.938 1.00 13.01 C ATOM 0 HA PRO A 82 -16.953 38.360 -25.099 1.00 11.34 H new ATOM 0 HB2 PRO A 82 -19.509 39.301 -25.647 1.00 71.32 H new ATOM 0 HB3 PRO A 82 -18.305 39.187 -26.915 1.00 71.32 H new ATOM 0 HG2 PRO A 82 -20.536 37.277 -26.246 1.00 14.53 H new ATOM 0 HG3 PRO A 82 -20.000 37.834 -27.819 1.00 14.53 H new ATOM 0 HD2 PRO A 82 -19.270 35.399 -26.843 1.00 13.01 H new ATOM 0 HD3 PRO A 82 -18.213 36.317 -27.898 1.00 13.01 H new