USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1188 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 120 HIS : no HE2:sc= -1.05 K(o=-2,f=-2.8) USER MOD Set 1.2: A 124 HIS : no HD1:sc= -0.947 K(o=-2,f=-3.7) USER MOD Set 2.1: A 80 ASN : amide:sc= -0.263 X(o=-0.16,f=-0.54) USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= 0.107 USER MOD Set 3.1: A 61 MET CE :methyl -173:sc= 0 (180deg=-0.00417) USER MOD Set 3.2: A 69 HIS : +bothHN:sc= 1.03 K(o=0.03,f=-6.2!) USER MOD Set 3.3: A 84 HIS : no HE2:sc= -1.14 X(o=0.03,f=0.4) USER MOD Set 3.4: A 97 HIS : no HD1:sc= 0.142 K(o=0.03,f=-1.6) USER MOD Set 4.1: A 41 MET CE :methyl 176:sc= -0.631 (180deg=-0.701) USER MOD Set 4.2: A 119 THR OG1 : rot 74:sc= 0.424 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 58:sc= 1.21 USER MOD Single : A 12 SER OG : rot 180:sc= 0.253 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -59:sc= 1.26 USER MOD Single : A 17 TYR OH : rot -162:sc= 0.00388 USER MOD Single : A 21 SER OG : rot -171:sc= 1.09 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 121:sc= 0.434 USER MOD Single : A 28 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.46) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 36 SER OG : rot 78:sc= 0.387 USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0186) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0416 K(o=-0.042,f=-0.76) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.222) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 140:sc= 0.0238 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -1.83 K(o=-1.8,f=-11!) USER MOD Single : A 116 TYR OH : rot 158:sc= 0.126 USER MOD Single : A 125 SER OG : rot -49:sc= 0.633 USER MOD Single : A 128 MET CE :methyl -168:sc= -0.806 (180deg=-1.3) USER MOD Single : A 130 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.2) USER MOD Single : A 131 SER OG : rot 170:sc= 0.0283 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 138 MET CE :methyl -156:sc= -1.7 (180deg=-3.36!) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 20:sc= 0.223 USER MOD Single : A 142 TYR OH : rot 90:sc= -0.593 USER MOD Single : A 144 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.76) USER MOD Single : A 148 GLN : amide:sc= -0.0216 K(o=-0.022,f=-2.2!) USER MOD Single : A 149 ASN :FLIP amide:sc= -0.179 F(o=-0.93,f=-0.18) USER MOD Single : A 151 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.157) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.044 K(o=-0.044,f=-1.2!) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot -30:sc= -0.132 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.326 0.008 8.051 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.102 -0.542 6.725 1.00 0.36 C ATOM 111 C PRO A 8 -13.369 -0.435 5.873 1.00 0.57 C ATOM 112 O PRO A 8 -14.471 -0.315 6.410 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.705 -1.994 6.951 1.00 0.00 C ATOM 114 CG PRO A 8 -12.277 -2.382 8.310 1.00 0.00 C ATOM 115 CD PRO A 8 -12.529 -1.054 9.028 1.00 0.30 C ATOM 0 HA PRO A 8 -11.327 0.001 6.183 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -12.103 -2.634 6.164 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.621 -2.108 6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.199 -2.953 8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.579 -3.006 8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.542 -1.019 9.429 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -11.848 -0.937 9.871 1.00 0.30 H new ATOM 123 N LYS A 9 -13.191 -0.553 4.548 1.00 -0.73 N ATOM 124 CA LYS A 9 -14.230 -0.467 3.522 1.00 0.36 C ATOM 125 C LYS A 9 -14.620 1.008 3.315 1.00 0.57 C ATOM 126 O LYS A 9 -15.270 1.619 4.161 1.00 -0.57 O ATOM 127 CB LYS A 9 -15.443 -1.372 3.859 1.00 0.00 C ATOM 128 CG LYS A 9 -16.239 -1.770 2.605 1.00 0.00 C ATOM 129 CD LYS A 9 -17.753 -1.934 2.831 1.00 0.00 C ATOM 130 CE LYS A 9 -18.197 -3.400 2.925 1.00 0.50 C ATOM 131 NZ LYS A 9 -19.672 -3.511 2.905 1.00 -0.85 N ATOM 0 H LYS A 9 -12.268 -0.720 4.147 1.00 -0.73 H new ATOM 0 HA LYS A 9 -13.839 -0.847 2.578 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -15.093 -2.272 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.101 -0.850 4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.080 -1.015 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.839 -2.708 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -18.035 -1.417 3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.290 -1.451 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.775 -3.965 2.094 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -17.808 -3.843 3.842 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -19.946 -4.512 2.970 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -20.070 -2.990 3.712 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -20.038 -3.109 2.019 1.00 -0.85 H new ATOM 145 N TRP A 10 -14.211 1.575 2.173 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.391 2.984 1.812 1.00 0.36 C ATOM 147 C TRP A 10 -15.845 3.482 1.940 1.00 0.57 C ATOM 148 O TRP A 10 -16.153 4.287 2.823 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.847 3.186 0.388 1.00 0.18 C ATOM 150 CG TRP A 10 -12.364 3.355 0.299 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.427 2.407 0.050 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.624 4.589 0.515 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.173 2.984 0.059 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.241 4.335 0.302 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -11.991 5.893 0.910 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.269 5.330 0.454 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.025 6.894 1.097 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.672 6.610 0.868 1.00 -0.15 C ATOM 0 H TRP A 10 -13.728 1.044 1.449 1.00 -0.73 H new ATOM 0 HA TRP A 10 -13.833 3.590 2.526 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.138 2.330 -0.221 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.325 4.064 -0.047 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.630 1.361 -0.128 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.305 2.472 -0.095 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.033 6.125 1.071 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.229 5.118 0.257 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.324 7.881 1.417 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.932 7.383 1.011 1.00 -0.15 H new ATOM 169 N THR A 11 -16.731 3.015 1.048 1.00 -0.73 N ATOM 170 CA THR A 11 -18.180 3.275 1.006 1.00 0.36 C ATOM 171 C THR A 11 -18.749 2.653 -0.282 1.00 0.57 C ATOM 172 O THR A 11 -19.787 1.996 -0.231 1.00 -0.57 O ATOM 173 CB THR A 11 -18.519 4.792 1.118 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.634 5.179 2.474 1.00 -0.68 O ATOM 175 CG2 THR A 11 -19.834 5.208 0.438 1.00 0.00 C ATOM 0 H THR A 11 -16.436 2.405 0.286 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.648 2.812 1.875 1.00 0.36 H new ATOM 0 HB THR A 11 -17.692 5.286 0.607 1.00 0.28 H new ATOM 0 HG1 THR A 11 -17.796 4.982 2.943 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.987 6.279 0.567 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.783 4.974 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.665 4.666 0.890 1.00 0.00 H new ATOM 183 N SER A 12 -18.060 2.818 -1.421 1.00 -0.73 N ATOM 184 CA SER A 12 -18.471 2.279 -2.715 1.00 0.36 C ATOM 185 C SER A 12 -17.646 1.030 -3.047 1.00 0.57 C ATOM 186 O SER A 12 -16.562 0.813 -2.498 1.00 -0.57 O ATOM 187 CB SER A 12 -18.311 3.377 -3.782 1.00 0.28 C ATOM 188 OG SER A 12 -18.538 2.898 -5.098 1.00 -0.68 O ATOM 0 H SER A 12 -17.185 3.341 -1.463 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.518 1.976 -2.688 1.00 0.36 H new ATOM 0 HB2 SER A 12 -19.007 4.188 -3.570 1.00 0.28 H new ATOM 0 HB3 SER A 12 -17.306 3.795 -3.720 1.00 0.28 H new ATOM 0 HG SER A 12 -18.426 3.632 -5.737 1.00 -0.68 H new ATOM 194 N LYS A 13 -18.159 0.234 -3.995 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.426 -0.869 -4.622 1.00 0.36 C ATOM 196 C LYS A 13 -16.350 -0.400 -5.612 1.00 0.57 C ATOM 197 O LYS A 13 -15.615 -1.235 -6.144 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.399 -1.843 -5.304 1.00 0.00 C ATOM 199 CG LYS A 13 -19.215 -1.242 -6.472 1.00 0.00 C ATOM 200 CD LYS A 13 -19.214 -2.154 -7.716 1.00 0.00 C ATOM 201 CE LYS A 13 -20.556 -2.104 -8.465 1.00 0.50 C ATOM 202 NZ LYS A 13 -20.902 -3.406 -9.076 1.00 -0.85 N ATOM 0 H LYS A 13 -19.109 0.342 -4.351 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.900 -1.385 -3.819 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.833 -2.696 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -19.093 -2.224 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -20.242 -1.075 -6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.803 -0.269 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.412 -1.850 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.005 -3.180 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.345 -1.807 -7.774 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -20.509 -1.341 -9.242 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -21.814 -3.326 -9.570 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -20.163 -3.678 -9.755 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -20.973 -4.130 -8.333 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.270 0.907 -5.881 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.235 1.516 -6.707 1.00 0.36 C ATOM 218 C VAL A 14 -14.603 2.636 -5.887 1.00 0.57 C ATOM 219 O VAL A 14 -15.303 3.333 -5.149 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.790 2.037 -8.051 1.00 0.00 C ATOM 221 CG1 VAL A 14 -14.654 2.510 -8.976 1.00 0.00 C ATOM 222 CG2 VAL A 14 -16.608 0.968 -8.796 1.00 0.00 C ATOM 0 H VAL A 14 -16.942 1.583 -5.519 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.487 0.770 -6.974 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.443 2.874 -7.803 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -15.075 2.871 -9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.102 3.316 -8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.979 1.678 -9.178 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -16.977 1.381 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -15.976 0.105 -9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.452 0.660 -8.179 1.00 0.00 H new ATOM 232 N VAL A 15 -13.291 2.818 -6.037 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.517 3.826 -5.329 1.00 0.36 C ATOM 234 C VAL A 15 -11.713 4.600 -6.373 1.00 0.57 C ATOM 235 O VAL A 15 -11.303 4.044 -7.397 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.633 3.131 -4.269 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.772 4.123 -3.487 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.477 2.382 -3.226 1.00 0.00 C ATOM 0 H VAL A 15 -12.727 2.252 -6.671 1.00 -0.73 H new ATOM 0 HA VAL A 15 -13.147 4.534 -4.790 1.00 0.36 H new ATOM 0 HB VAL A 15 -11.005 2.444 -4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.170 3.584 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.116 4.656 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.416 4.837 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.819 1.907 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.134 3.086 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.078 1.621 -3.723 1.00 0.00 H new ATOM 248 N THR A 16 -11.501 5.893 -6.129 1.00 -0.73 N ATOM 249 CA THR A 16 -10.742 6.738 -7.031 1.00 0.36 C ATOM 250 C THR A 16 -9.290 6.786 -6.552 1.00 0.57 C ATOM 251 O THR A 16 -9.024 6.947 -5.359 1.00 -0.57 O ATOM 252 CB THR A 16 -11.418 8.117 -7.181 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.558 8.840 -5.968 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.787 7.963 -7.861 1.00 0.00 C ATOM 0 H THR A 16 -11.852 6.376 -5.302 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.727 6.326 -8.040 1.00 0.36 H new ATOM 0 HB THR A 16 -10.745 8.708 -7.802 1.00 0.28 H new ATOM 0 HG1 THR A 16 -12.086 8.313 -5.332 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -13.255 8.942 -7.962 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.655 7.520 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.423 7.317 -7.256 1.00 0.00 H new ATOM 262 N TYR A 17 -8.331 6.690 -7.478 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.913 6.828 -7.161 1.00 0.36 C ATOM 264 C TYR A 17 -6.300 7.908 -8.049 1.00 0.57 C ATOM 265 O TYR A 17 -6.786 8.151 -9.157 1.00 -0.57 O ATOM 266 CB TYR A 17 -6.193 5.473 -7.284 1.00 0.14 C ATOM 267 CG TYR A 17 -6.002 4.953 -8.701 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -7.026 4.222 -9.333 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.793 5.191 -9.384 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -6.856 3.752 -10.650 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -4.605 4.704 -10.690 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.637 3.986 -11.332 1.00 0.08 C ATOM 273 OH TYR A 17 -5.453 3.525 -12.603 1.00 -0.53 O ATOM 0 H TYR A 17 -8.519 6.515 -8.465 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.792 7.143 -6.125 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -5.214 5.559 -6.813 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.755 4.731 -6.717 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.947 4.021 -8.805 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -4.006 5.751 -8.902 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -7.654 3.214 -11.139 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -3.670 4.879 -11.202 1.00 -0.15 H new ATOM 0 HH TYR A 17 -4.496 3.520 -12.814 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.236 8.565 -7.570 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.482 9.518 -8.381 1.00 0.36 C ATOM 285 C ARG A 18 -3.048 9.624 -7.865 1.00 0.57 C ATOM 286 O ARG A 18 -2.798 10.118 -6.767 1.00 -0.57 O ATOM 287 CB ARG A 18 -5.159 10.904 -8.397 1.00 0.00 C ATOM 288 CG ARG A 18 -4.639 11.717 -9.597 1.00 0.00 C ATOM 289 CD ARG A 18 -4.526 13.225 -9.344 1.00 0.33 C ATOM 290 NE ARG A 18 -5.755 13.972 -9.665 1.00 -0.84 N ATOM 291 CZ ARG A 18 -5.795 15.263 -10.044 1.00 1.20 C ATOM 292 NH1 ARG A 18 -4.697 16.013 -10.150 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -6.959 15.830 -10.314 1.00 -0.97 N ATOM 0 H ARG A 18 -4.880 8.450 -6.621 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.463 9.151 -9.407 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -6.241 10.791 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.949 11.433 -7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.658 11.335 -9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.303 11.553 -10.446 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.273 13.391 -8.297 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -3.703 13.624 -9.938 1.00 0.33 H new ATOM 0 HE ARG A 18 -6.642 13.473 -9.595 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -3.783 15.612 -9.940 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -4.771 16.988 -10.441 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -7.820 15.289 -10.235 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -6.995 16.808 -10.602 1.00 -0.97 H new ATOM 307 N ILE A 19 -2.085 9.186 -8.666 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.677 9.235 -8.303 1.00 0.36 C ATOM 309 C ILE A 19 -0.164 10.651 -8.655 1.00 0.57 C ATOM 310 O ILE A 19 0.327 10.885 -9.758 1.00 -0.57 O ATOM 311 CB ILE A 19 0.049 8.047 -8.976 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.542 6.658 -8.610 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.528 8.030 -8.581 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.435 5.633 -9.745 1.00 0.00 C ATOM 0 H ILE A 19 -2.260 8.786 -9.588 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.483 9.102 -7.239 1.00 0.36 H new ATOM 0 HB ILE A 19 -0.085 8.205 -10.046 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.025 6.272 -7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.590 6.778 -8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.024 7.188 -9.063 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.000 8.960 -8.899 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.615 7.931 -7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.867 4.686 -9.422 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.976 5.999 -10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.613 5.485 -10.004 1.00 0.00 H new ATOM 326 N VAL A 20 -0.391 11.631 -7.763 1.00 -0.73 N ATOM 327 CA VAL A 20 -0.079 13.056 -7.975 1.00 0.36 C ATOM 328 C VAL A 20 1.392 13.299 -8.323 1.00 0.57 C ATOM 329 O VAL A 20 1.698 14.131 -9.180 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.454 13.925 -6.745 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.974 14.074 -6.622 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.136 13.442 -5.408 1.00 0.00 C ATOM 0 H VAL A 20 -0.808 11.449 -6.850 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.689 13.354 -8.828 1.00 0.36 H new ATOM 0 HB VAL A 20 0.004 14.894 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.210 14.687 -5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.367 14.551 -7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.428 13.090 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.180 14.111 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.217 12.432 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.224 13.440 -5.470 1.00 0.00 H new ATOM 342 N SER A 21 2.288 12.597 -7.637 1.00 -0.73 N ATOM 343 CA SER A 21 3.726 12.612 -7.827 1.00 0.36 C ATOM 344 C SER A 21 4.066 11.144 -8.062 1.00 0.57 C ATOM 345 O SER A 21 3.347 10.265 -7.587 1.00 -0.57 O ATOM 346 CB SER A 21 4.419 13.245 -6.596 1.00 0.28 C ATOM 347 OG SER A 21 5.801 12.920 -6.499 1.00 -0.68 O ATOM 0 H SER A 21 2.007 11.964 -6.888 1.00 -0.73 H new ATOM 0 HA SER A 21 4.073 13.222 -8.661 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.310 14.329 -6.644 1.00 0.28 H new ATOM 0 HB3 SER A 21 3.910 12.913 -5.691 1.00 0.28 H new ATOM 0 HG SER A 21 6.148 13.220 -5.633 1.00 -0.68 H new ATOM 353 N TYR A 22 5.160 10.883 -8.770 1.00 -0.73 N ATOM 354 CA TYR A 22 5.623 9.559 -9.142 1.00 0.36 C ATOM 355 C TYR A 22 7.105 9.480 -8.786 1.00 0.57 C ATOM 356 O TYR A 22 7.764 10.514 -8.685 1.00 -0.57 O ATOM 357 CB TYR A 22 5.404 9.357 -10.646 1.00 0.14 C ATOM 358 CG TYR A 22 4.023 8.864 -11.034 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.787 7.480 -11.062 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.017 9.748 -11.468 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.593 6.962 -11.591 1.00 -0.15 C ATOM 362 CE2 TYR A 22 1.808 9.238 -11.981 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.600 7.843 -12.071 1.00 0.08 C ATOM 364 OH TYR A 22 0.438 7.358 -12.592 1.00 -0.53 O ATOM 0 H TYR A 22 5.772 11.624 -9.113 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.077 8.777 -8.615 1.00 0.36 H new ATOM 0 HB2 TYR A 22 5.592 10.302 -11.155 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.143 8.645 -11.013 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.534 6.804 -10.671 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 3.172 10.815 -11.408 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.436 5.894 -11.630 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.035 9.918 -12.308 1.00 -0.15 H new ATOM 0 HH TYR A 22 -0.131 8.105 -12.872 1.00 -0.53 H new ATOM 374 N THR A 23 7.624 8.262 -8.616 1.00 -0.73 N ATOM 375 CA THR A 23 9.049 8.049 -8.386 1.00 0.36 C ATOM 376 C THR A 23 9.896 8.537 -9.578 1.00 0.57 C ATOM 377 O THR A 23 9.382 8.891 -10.649 1.00 -0.57 O ATOM 378 CB THR A 23 9.304 6.576 -8.010 1.00 0.28 C ATOM 379 OG1 THR A 23 10.565 6.444 -7.385 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.274 5.630 -9.213 1.00 0.00 C ATOM 0 H THR A 23 7.072 7.405 -8.634 1.00 -0.73 H new ATOM 0 HA THR A 23 9.371 8.656 -7.540 1.00 0.36 H new ATOM 0 HB THR A 23 8.494 6.296 -7.337 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.447 6.075 -6.485 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.461 4.610 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.296 5.682 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.044 5.924 -9.927 1.00 0.00 H new ATOM 388 N ARG A 24 11.218 8.511 -9.379 1.00 -0.73 N ATOM 389 CA ARG A 24 12.214 8.964 -10.349 1.00 0.36 C ATOM 390 C ARG A 24 13.101 7.827 -10.839 1.00 0.57 C ATOM 391 O ARG A 24 13.529 7.871 -11.993 1.00 -0.57 O ATOM 392 CB ARG A 24 13.044 10.091 -9.712 1.00 0.00 C ATOM 393 CG ARG A 24 14.076 10.737 -10.654 1.00 0.00 C ATOM 394 CD ARG A 24 15.455 10.051 -10.672 1.00 0.33 C ATOM 395 NE ARG A 24 16.418 10.817 -11.485 1.00 -0.84 N ATOM 396 CZ ARG A 24 16.558 10.766 -12.818 1.00 1.20 C ATOM 397 NH1 ARG A 24 15.840 9.904 -13.551 1.00 -0.97 N ATOM 398 NH2 ARG A 24 17.450 11.564 -13.416 1.00 -0.97 N ATOM 0 H ARG A 24 11.634 8.164 -8.514 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.699 9.342 -11.232 1.00 0.36 H new ATOM 0 HB2 ARG A 24 12.366 10.865 -9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.565 9.693 -8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.673 10.736 -11.667 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.209 11.779 -10.364 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.830 9.955 -9.653 1.00 0.33 H new ATOM 0 HD3 ARG A 24 15.358 9.042 -11.073 1.00 0.33 H new ATOM 0 HE ARG A 24 17.041 11.450 -10.983 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 15.177 9.276 -13.096 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 15.956 9.876 -14.564 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 18.016 12.204 -12.859 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 17.564 11.533 -14.429 1.00 -0.97 H new ATOM 412 N ASP A 25 13.406 6.844 -9.985 1.00 -0.73 N ATOM 413 CA ASP A 25 14.267 5.715 -10.356 1.00 0.36 C ATOM 414 C ASP A 25 13.582 4.865 -11.441 1.00 0.57 C ATOM 415 O ASP A 25 14.240 4.393 -12.365 1.00 -0.57 O ATOM 416 CB ASP A 25 14.618 4.900 -9.094 1.00 0.06 C ATOM 417 CG ASP A 25 16.020 4.263 -9.107 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.593 4.208 -8.031 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.561 3.888 -10.262 1.00 -0.65 O ATOM 0 H ASP A 25 13.066 6.808 -9.024 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.203 6.077 -10.782 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.538 5.552 -8.224 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.877 4.111 -8.970 1.00 0.06 H new ATOM 425 N LEU A 26 12.239 4.767 -11.387 1.00 -0.73 N ATOM 426 CA LEU A 26 11.384 4.097 -12.372 1.00 0.36 C ATOM 427 C LEU A 26 10.350 5.094 -12.933 1.00 0.57 C ATOM 428 O LEU A 26 10.004 6.059 -12.251 1.00 -0.57 O ATOM 429 CB LEU A 26 10.633 2.894 -11.749 1.00 0.00 C ATOM 430 CG LEU A 26 11.443 1.648 -11.329 1.00 0.00 C ATOM 431 CD1 LEU A 26 12.665 1.351 -12.210 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.853 1.731 -9.858 1.00 0.00 C ATOM 0 H LEU A 26 11.702 5.172 -10.620 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.028 3.729 -13.171 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.104 3.256 -10.868 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.877 2.570 -12.464 1.00 0.00 H new ATOM 0 HG LEU A 26 10.764 0.808 -11.475 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.172 0.460 -11.840 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.341 1.185 -13.237 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.351 2.198 -12.178 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.422 0.841 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.469 2.617 -9.701 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.961 1.794 -9.235 1.00 0.00 H new ATOM 444 N PRO A 27 9.828 4.879 -14.157 1.00 -0.66 N ATOM 445 CA PRO A 27 8.861 5.779 -14.777 1.00 0.36 C ATOM 446 C PRO A 27 7.431 5.582 -14.249 1.00 0.57 C ATOM 447 O PRO A 27 7.076 4.534 -13.701 1.00 -0.57 O ATOM 448 CB PRO A 27 8.952 5.498 -16.279 1.00 0.00 C ATOM 449 CG PRO A 27 9.422 4.048 -16.365 1.00 0.00 C ATOM 450 CD PRO A 27 10.224 3.826 -15.083 1.00 0.30 C ATOM 0 HA PRO A 27 9.094 6.817 -14.539 1.00 0.36 H new ATOM 0 HB2 PRO A 27 7.987 5.633 -16.768 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.654 6.173 -16.768 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.578 3.361 -16.429 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.036 3.882 -17.250 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.017 2.842 -14.662 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.295 3.869 -15.283 1.00 0.30 H new ATOM 458 N HIS A 28 6.580 6.589 -14.476 1.00 -0.73 N ATOM 459 CA HIS A 28 5.193 6.614 -14.018 1.00 0.36 C ATOM 460 C HIS A 28 4.360 5.451 -14.560 1.00 0.57 C ATOM 461 O HIS A 28 3.572 4.861 -13.822 1.00 -0.57 O ATOM 462 CB HIS A 28 4.538 7.967 -14.359 1.00 0.17 C ATOM 463 CG HIS A 28 5.123 8.713 -15.535 1.00 0.18 C ATOM 464 ND1 HIS A 28 5.976 9.791 -15.452 1.00 -0.70 N ATOM 465 CD2 HIS A 28 4.934 8.445 -16.865 1.00 0.20 C ATOM 466 CE1 HIS A 28 6.290 10.159 -16.707 1.00 0.65 C ATOM 467 NE2 HIS A 28 5.691 9.360 -17.608 1.00 -0.70 N ATOM 0 H HIS A 28 6.846 7.426 -14.995 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.217 6.492 -12.935 1.00 0.36 H new ATOM 0 HB2 HIS A 28 3.479 7.796 -14.554 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.600 8.609 -13.480 1.00 0.17 H new ATOM 0 HD2 HIS A 28 4.309 7.663 -17.271 1.00 0.20 H new ATOM 0 HE1 HIS A 28 6.937 10.986 -16.958 1.00 0.65 H new ATOM 0 HE2 HIS A 28 5.771 9.410 -18.624 1.00 -0.70 H new ATOM 476 N ILE A 29 4.554 5.093 -15.834 1.00 -0.73 N ATOM 477 CA ILE A 29 3.854 3.966 -16.444 1.00 0.36 C ATOM 478 C ILE A 29 4.214 2.648 -15.742 1.00 0.57 C ATOM 479 O ILE A 29 3.354 1.782 -15.597 1.00 -0.57 O ATOM 480 CB ILE A 29 4.113 3.945 -17.967 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.242 2.876 -18.664 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.603 3.760 -18.327 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.892 3.264 -20.106 1.00 0.00 C ATOM 0 H ILE A 29 5.196 5.574 -16.464 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.779 4.088 -16.309 1.00 0.36 H new ATOM 0 HB ILE A 29 3.825 4.928 -18.338 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.771 1.923 -18.664 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.323 2.731 -18.095 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.717 3.754 -19.411 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.184 4.580 -17.905 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.961 2.815 -17.919 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.279 2.482 -20.555 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.339 4.203 -20.106 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.809 3.383 -20.684 1.00 0.00 H new ATOM 495 N THR A 30 5.458 2.516 -15.262 1.00 -0.73 N ATOM 496 CA THR A 30 5.894 1.356 -14.498 1.00 0.36 C ATOM 497 C THR A 30 5.250 1.390 -13.115 1.00 0.57 C ATOM 498 O THR A 30 4.727 0.366 -12.690 1.00 -0.57 O ATOM 499 CB THR A 30 7.429 1.314 -14.460 1.00 0.28 C ATOM 500 OG1 THR A 30 7.871 1.022 -15.769 1.00 -0.68 O ATOM 501 CG2 THR A 30 8.022 0.276 -13.506 1.00 0.00 C ATOM 0 H THR A 30 6.187 3.217 -15.397 1.00 -0.73 H new ATOM 0 HA THR A 30 5.569 0.430 -14.973 1.00 0.36 H new ATOM 0 HB THR A 30 7.766 2.282 -14.090 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.850 0.989 -15.784 1.00 -0.68 H new ATOM 0 HG21 THR A 30 9.110 0.322 -13.549 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.690 0.485 -12.489 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.689 -0.720 -13.799 1.00 0.00 H new ATOM 509 N VAL A 31 5.212 2.544 -12.437 1.00 -0.73 N ATOM 510 CA VAL A 31 4.514 2.653 -11.157 1.00 0.36 C ATOM 511 C VAL A 31 3.041 2.259 -11.326 1.00 0.57 C ATOM 512 O VAL A 31 2.581 1.433 -10.544 1.00 -0.57 O ATOM 513 CB VAL A 31 4.689 4.060 -10.564 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.810 4.313 -9.323 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.153 4.325 -10.187 1.00 0.00 C ATOM 0 H VAL A 31 5.654 3.407 -12.753 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.953 1.957 -10.442 1.00 0.36 H new ATOM 0 HB VAL A 31 4.370 4.744 -11.350 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.983 5.324 -8.955 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.760 4.199 -9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.065 3.595 -8.544 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.246 5.328 -9.770 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.476 3.593 -9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.778 4.242 -11.076 1.00 0.00 H new ATOM 525 N ASP A 32 2.320 2.777 -12.337 1.00 -0.73 N ATOM 526 CA ASP A 32 0.913 2.394 -12.562 1.00 0.36 C ATOM 527 C ASP A 32 0.781 0.924 -12.956 1.00 0.57 C ATOM 528 O ASP A 32 -0.177 0.284 -12.533 1.00 -0.57 O ATOM 529 CB ASP A 32 0.220 3.259 -13.627 1.00 0.06 C ATOM 530 CG ASP A 32 -1.278 2.893 -13.781 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.586 1.993 -14.545 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -2.142 3.605 -13.063 1.00 -0.65 O ATOM 0 H ASP A 32 2.684 3.456 -13.006 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.415 2.561 -11.607 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.311 4.311 -13.356 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.726 3.131 -14.584 1.00 0.06 H new ATOM 538 N ARG A 33 1.727 0.356 -13.713 1.00 -0.73 N ATOM 539 CA ARG A 33 1.749 -1.080 -14.009 1.00 0.36 C ATOM 540 C ARG A 33 1.882 -1.899 -12.727 1.00 0.57 C ATOM 541 O ARG A 33 1.087 -2.814 -12.499 1.00 -0.57 O ATOM 542 CB ARG A 33 2.909 -1.407 -14.964 1.00 0.00 C ATOM 543 CG ARG A 33 2.454 -1.526 -16.421 1.00 0.00 C ATOM 544 CD ARG A 33 3.672 -1.561 -17.354 1.00 0.33 C ATOM 545 NE ARG A 33 3.357 -2.232 -18.627 1.00 -0.84 N ATOM 546 CZ ARG A 33 4.242 -2.867 -19.411 1.00 1.20 C ATOM 547 NH1 ARG A 33 5.557 -2.781 -19.202 1.00 -0.97 N ATOM 548 NH2 ARG A 33 3.821 -3.629 -20.418 1.00 -0.97 N ATOM 0 H ARG A 33 2.495 0.877 -14.136 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.806 -1.343 -14.489 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.669 -0.630 -14.887 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.377 -2.342 -14.655 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.860 -2.431 -16.552 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.812 -0.684 -16.680 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.010 -0.544 -17.551 1.00 0.33 H new ATOM 0 HD3 ARG A 33 4.494 -2.080 -16.861 1.00 0.33 H new ATOM 0 HE ARG A 33 2.386 -2.212 -18.938 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 5.915 -2.221 -18.428 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 6.204 -3.276 -19.816 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 2.822 -3.732 -20.596 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 4.497 -4.110 -21.011 1.00 -0.97 H new ATOM 562 N LEU A 34 2.869 -1.564 -11.893 1.00 -0.73 N ATOM 563 CA LEU A 34 3.132 -2.255 -10.642 1.00 0.36 C ATOM 564 C LEU A 34 1.925 -2.094 -9.718 1.00 0.57 C ATOM 565 O LEU A 34 1.465 -3.093 -9.180 1.00 -0.57 O ATOM 566 CB LEU A 34 4.420 -1.721 -9.991 1.00 0.00 C ATOM 567 CG LEU A 34 5.707 -1.992 -10.804 1.00 0.00 C ATOM 568 CD1 LEU A 34 6.825 -1.085 -10.285 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.176 -3.448 -10.744 1.00 0.00 C ATOM 0 H LEU A 34 3.513 -0.794 -12.076 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.285 -3.317 -10.833 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.319 -0.646 -9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.527 -2.171 -9.004 1.00 0.00 H new ATOM 0 HG LEU A 34 5.471 -1.781 -11.847 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.737 -1.270 -10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.530 -0.042 -10.401 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.005 -1.296 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.083 -3.563 -11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.382 -3.722 -9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.397 -4.098 -11.143 1.00 0.00 H new ATOM 581 N VAL A 35 1.366 -0.882 -9.592 1.00 -0.73 N ATOM 582 CA VAL A 35 0.135 -0.629 -8.847 1.00 0.36 C ATOM 583 C VAL A 35 -1.031 -1.416 -9.445 1.00 0.57 C ATOM 584 O VAL A 35 -1.747 -2.052 -8.687 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.136 0.895 -8.737 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.614 1.311 -8.739 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.515 1.422 -7.447 1.00 0.00 C ATOM 0 H VAL A 35 1.765 -0.042 -10.012 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.252 -0.991 -7.825 1.00 0.36 H new ATOM 0 HB VAL A 35 0.294 1.329 -9.640 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.687 2.396 -8.658 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.083 0.984 -9.667 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.123 0.849 -7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.332 2.493 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.086 0.908 -6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.589 1.239 -7.481 1.00 0.00 H new ATOM 597 N SER A 36 -1.216 -1.444 -10.768 1.00 -0.73 N ATOM 598 CA SER A 36 -2.291 -2.185 -11.414 1.00 0.36 C ATOM 599 C SER A 36 -2.188 -3.667 -11.056 1.00 0.57 C ATOM 600 O SER A 36 -3.179 -4.261 -10.637 1.00 -0.57 O ATOM 601 CB SER A 36 -2.238 -2.001 -12.939 1.00 0.28 C ATOM 602 OG SER A 36 -2.762 -0.753 -13.353 1.00 -0.68 O ATOM 0 H SER A 36 -0.614 -0.946 -11.424 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.245 -1.797 -11.057 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.205 -2.088 -13.276 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.798 -2.804 -13.418 1.00 0.28 H new ATOM 0 HG SER A 36 -2.097 -0.051 -13.197 1.00 -0.68 H new ATOM 608 N LYS A 37 -0.993 -4.262 -11.163 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.800 -5.676 -10.844 1.00 0.36 C ATOM 610 C LYS A 37 -0.907 -5.917 -9.325 1.00 0.57 C ATOM 611 O LYS A 37 -1.516 -6.906 -8.920 1.00 -0.57 O ATOM 612 CB LYS A 37 0.532 -6.162 -11.444 1.00 0.00 C ATOM 613 CG LYS A 37 0.606 -6.073 -12.991 1.00 0.00 C ATOM 614 CD LYS A 37 0.476 -7.396 -13.778 1.00 0.00 C ATOM 615 CE LYS A 37 -0.915 -7.657 -14.382 1.00 0.50 C ATOM 616 NZ LYS A 37 -1.816 -8.422 -13.496 1.00 -0.85 N ATOM 0 H LYS A 37 -0.146 -3.782 -11.469 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.595 -6.269 -11.296 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.345 -5.573 -11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.696 -7.197 -11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.181 -5.399 -13.329 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.557 -5.612 -13.258 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.211 -7.397 -14.583 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.729 -8.223 -13.114 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.382 -6.702 -14.622 1.00 0.50 H new ATOM 0 HE3 LYS A 37 -0.797 -8.199 -15.320 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 -2.665 -8.706 -14.025 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 -1.324 -9.271 -13.150 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 -2.094 -7.829 -12.688 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.406 -5.001 -8.485 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.524 -5.046 -7.025 1.00 0.36 C ATOM 632 C ALA A 38 -1.983 -4.987 -6.566 1.00 0.57 C ATOM 633 O ALA A 38 -2.425 -5.778 -5.732 1.00 -0.57 O ATOM 634 CB ALA A 38 0.221 -3.846 -6.428 1.00 0.00 C ATOM 0 H ALA A 38 0.108 -4.184 -8.815 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.096 -5.989 -6.685 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.139 -3.871 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.272 -3.891 -6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.218 -2.922 -6.804 1.00 0.00 H new ATOM 640 N LEU A 39 -2.751 -4.050 -7.119 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.168 -3.902 -6.828 1.00 0.36 C ATOM 642 C LEU A 39 -4.937 -5.069 -7.422 1.00 0.57 C ATOM 643 O LEU A 39 -5.915 -5.494 -6.819 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.704 -2.570 -7.367 1.00 0.00 C ATOM 645 CG LEU A 39 -4.620 -1.421 -6.348 1.00 0.00 C ATOM 646 CD1 LEU A 39 -3.226 -1.221 -5.743 1.00 0.00 C ATOM 647 CD2 LEU A 39 -5.074 -0.115 -7.008 1.00 0.00 C ATOM 0 H LEU A 39 -2.399 -3.366 -7.789 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.304 -3.900 -5.747 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.143 -2.296 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.743 -2.701 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.278 -1.699 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.252 -0.393 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.920 -2.130 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.513 -0.998 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.014 0.698 -6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.428 0.107 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.103 -0.220 -7.352 1.00 0.00 H new ATOM 659 N ASN A 40 -4.496 -5.630 -8.555 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.065 -6.867 -9.071 1.00 0.36 C ATOM 661 C ASN A 40 -4.825 -8.033 -8.110 1.00 0.57 C ATOM 662 O ASN A 40 -5.675 -8.912 -8.025 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.502 -7.189 -10.461 1.00 0.06 C ATOM 664 CG ASN A 40 -5.237 -8.360 -11.096 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.280 -8.181 -11.717 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.707 -9.571 -10.960 1.00 -0.80 N ATOM 0 H ASN A 40 -3.746 -5.241 -9.127 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.142 -6.723 -9.161 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.587 -6.312 -11.103 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.440 -7.423 -10.381 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.168 -10.379 -11.377 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -3.839 -9.692 -10.439 1.00 -0.80 H new ATOM 673 N MET A 41 -3.703 -8.071 -7.383 1.00 -0.73 N ATOM 674 CA MET A 41 -3.453 -9.074 -6.348 1.00 0.36 C ATOM 675 C MET A 41 -4.386 -8.868 -5.146 1.00 0.57 C ATOM 676 O MET A 41 -4.954 -9.845 -4.668 1.00 -0.57 O ATOM 677 CB MET A 41 -1.978 -9.041 -5.925 1.00 0.00 C ATOM 678 CG MET A 41 -1.031 -9.599 -6.993 1.00 0.23 C ATOM 679 SD MET A 41 0.595 -8.795 -7.069 1.00 -0.46 S ATOM 680 CE MET A 41 1.055 -8.753 -5.320 1.00 0.23 C ATOM 0 H MET A 41 -2.941 -7.403 -7.498 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.667 -10.060 -6.759 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.695 -8.013 -5.699 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.857 -9.615 -5.006 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.885 -10.663 -6.808 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.511 -9.507 -7.967 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.063 -8.350 -5.218 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.355 -8.120 -4.775 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.025 -9.763 -4.912 1.00 0.23 H new ATOM 690 N TRP A 42 -4.608 -7.629 -4.688 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.605 -7.358 -3.643 1.00 0.36 C ATOM 692 C TRP A 42 -7.015 -7.727 -4.140 1.00 0.57 C ATOM 693 O TRP A 42 -7.725 -8.521 -3.518 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.493 -5.893 -3.178 1.00 0.18 C ATOM 695 CG TRP A 42 -4.479 -5.673 -2.091 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.138 -5.798 -2.221 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.707 -5.392 -0.673 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.540 -5.694 -0.981 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.468 -5.518 0.017 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.837 -5.078 0.114 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.378 -5.438 1.414 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.755 -4.992 1.518 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.530 -5.192 2.172 1.00 -0.15 C ATOM 0 H TRP A 42 -4.114 -6.802 -5.022 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.409 -7.984 -2.772 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.234 -5.270 -4.034 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.468 -5.559 -2.824 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.615 -5.955 -3.153 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.533 -5.742 -0.825 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.785 -4.900 -0.371 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.424 -5.566 1.904 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.641 -4.771 2.095 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.476 -5.157 3.250 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.392 -7.212 -5.314 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.684 -7.416 -5.955 1.00 0.36 C ATOM 716 C GLY A 43 -8.914 -8.847 -6.449 1.00 0.57 C ATOM 717 O GLY A 43 -10.034 -9.206 -6.808 1.00 -0.57 O ATOM 0 H GLY A 43 -6.774 -6.616 -5.864 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.473 -7.154 -5.250 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.771 -6.732 -6.799 1.00 0.36 H new ATOM 721 N LYS A 44 -7.876 -9.692 -6.461 1.00 -0.73 N ATOM 722 CA LYS A 44 -8.020 -11.122 -6.722 1.00 0.36 C ATOM 723 C LYS A 44 -8.898 -11.773 -5.652 1.00 0.57 C ATOM 724 O LYS A 44 -9.623 -12.713 -5.978 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.637 -11.801 -6.812 1.00 0.00 C ATOM 726 CG LYS A 44 -6.384 -12.407 -8.199 1.00 0.00 C ATOM 727 CD LYS A 44 -4.961 -12.982 -8.307 1.00 0.00 C ATOM 728 CE LYS A 44 -4.677 -13.452 -9.743 1.00 0.50 C ATOM 729 NZ LYS A 44 -3.247 -13.324 -10.121 1.00 -0.85 N ATOM 0 H LYS A 44 -6.914 -9.400 -6.290 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.514 -11.255 -7.685 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.859 -11.071 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.567 -12.583 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.112 -13.195 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.529 -11.644 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.233 -12.225 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.846 -13.817 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.983 -14.493 -9.846 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -5.284 -12.871 -10.437 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -3.115 -13.655 -11.098 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -2.957 -12.328 -10.051 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -2.665 -13.899 -9.479 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.869 -11.244 -4.420 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.622 -11.781 -3.290 1.00 0.36 C ATOM 745 C GLU A 45 -10.894 -10.951 -3.020 1.00 0.57 C ATOM 746 O GLU A 45 -11.898 -11.513 -2.582 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.730 -11.772 -2.038 1.00 0.00 C ATOM 748 CG GLU A 45 -7.410 -12.567 -2.098 1.00 0.06 C ATOM 749 CD GLU A 45 -7.565 -14.096 -2.102 1.00 0.66 C ATOM 750 OE1 GLU A 45 -7.104 -14.705 -3.053 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -8.116 -14.668 -1.035 1.00 -0.65 O ATOM 0 H GLU A 45 -8.314 -10.422 -4.183 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.925 -12.800 -3.531 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.488 -10.735 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.317 -12.157 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.867 -12.271 -2.995 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.794 -12.283 -1.245 1.00 0.06 H new ATOM 759 N ILE A 46 -10.881 -9.632 -3.298 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.025 -8.738 -3.063 1.00 0.36 C ATOM 761 C ILE A 46 -12.550 -8.180 -4.394 1.00 0.57 C ATOM 762 O ILE A 46 -11.776 -7.590 -5.143 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.698 -7.611 -2.052 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.445 -6.762 -2.386 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.584 -8.272 -0.673 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.301 -5.473 -1.569 1.00 0.00 C ATOM 0 H ILE A 46 -10.070 -9.157 -3.694 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.818 -9.330 -2.605 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.504 -6.878 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.557 -7.375 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.471 -6.503 -3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.353 -7.514 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.528 -8.755 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.789 -9.018 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.396 -4.948 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.167 -4.834 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.238 -5.719 -0.509 1.00 0.00 H new ATOM 778 N PRO A 47 -13.852 -8.316 -4.714 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.433 -7.855 -5.980 1.00 0.36 C ATOM 780 C PRO A 47 -14.597 -6.317 -6.044 1.00 0.57 C ATOM 781 O PRO A 47 -15.648 -5.792 -6.420 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.731 -8.660 -6.136 1.00 0.00 C ATOM 783 CG PRO A 47 -16.155 -9.001 -4.710 1.00 0.00 C ATOM 784 CD PRO A 47 -14.851 -9.018 -3.917 1.00 0.30 C ATOM 0 HA PRO A 47 -13.777 -8.038 -6.831 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.498 -8.078 -6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.568 -9.562 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.850 -8.260 -4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.659 -9.967 -4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.982 -8.532 -2.950 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.535 -10.042 -3.719 1.00 0.30 H new ATOM 792 N LEU A 48 -13.555 -5.585 -5.647 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.497 -4.135 -5.555 1.00 0.36 C ATOM 794 C LEU A 48 -12.698 -3.630 -6.757 1.00 0.57 C ATOM 795 O LEU A 48 -11.732 -4.271 -7.172 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.843 -3.771 -4.211 1.00 0.00 C ATOM 797 CG LEU A 48 -13.280 -2.403 -3.651 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.958 -2.352 -2.158 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.607 -1.226 -4.356 1.00 0.00 C ATOM 0 H LEU A 48 -12.677 -6.021 -5.365 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.482 -3.668 -5.581 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -13.082 -4.544 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.760 -3.773 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.352 -2.307 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.264 -1.387 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.494 -3.149 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.886 -2.483 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.956 -0.291 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.526 -1.301 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.859 -1.245 -5.416 1.00 0.00 H new ATOM 811 N HIS A 49 -13.118 -2.500 -7.325 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.575 -1.963 -8.569 1.00 0.36 C ATOM 813 C HIS A 49 -12.076 -0.531 -8.320 1.00 0.57 C ATOM 814 O HIS A 49 -12.342 0.063 -7.274 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.654 -2.030 -9.669 1.00 0.17 C ATOM 816 CG HIS A 49 -14.198 -3.415 -9.987 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.800 -4.298 -9.111 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -14.245 -4.005 -11.225 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.156 -5.393 -9.799 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.851 -5.264 -11.100 1.00 -0.70 N ATOM 0 H HIS A 49 -13.858 -1.923 -6.925 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.726 -2.555 -8.911 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.487 -1.394 -9.372 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.239 -1.606 -10.583 1.00 0.17 H new ATOM 0 HD2 HIS A 49 -13.877 -3.572 -12.143 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.626 -6.263 -9.364 1.00 0.65 H new ATOM 0 HE2 HIS A 49 -15.024 -5.941 -11.843 1.00 -0.70 H new ATOM 829 N PHE A 50 -11.349 0.059 -9.271 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.709 1.355 -9.066 1.00 0.36 C ATOM 831 C PHE A 50 -10.766 2.150 -10.361 1.00 0.57 C ATOM 832 O PHE A 50 -10.729 1.562 -11.448 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.253 1.197 -8.572 1.00 0.14 C ATOM 834 CG PHE A 50 -8.958 -0.091 -7.822 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.188 -0.184 -6.437 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.531 -1.226 -8.539 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -9.003 -1.412 -5.776 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.360 -2.454 -7.878 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.595 -2.548 -6.496 1.00 -0.15 C ATOM 0 H PHE A 50 -11.190 -0.345 -10.194 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.248 1.895 -8.288 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.586 1.258 -9.432 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -9.014 2.039 -7.923 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.506 0.686 -5.882 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.335 -1.152 -9.598 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -9.175 -1.482 -4.712 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.048 -3.326 -8.433 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.462 -3.492 -5.988 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.822 3.480 -10.239 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.887 4.412 -11.365 1.00 0.36 C ATOM 851 C ARG A 51 -9.909 5.562 -11.123 1.00 0.57 C ATOM 852 O ARG A 51 -9.524 5.829 -9.985 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.331 4.940 -11.533 1.00 0.00 C ATOM 854 CG ARG A 51 -13.020 4.498 -12.834 1.00 0.00 C ATOM 855 CD ARG A 51 -13.324 2.992 -12.889 1.00 0.33 C ATOM 856 NE ARG A 51 -14.388 2.673 -13.862 1.00 -0.84 N ATOM 857 CZ ARG A 51 -14.278 2.572 -15.197 1.00 1.20 C ATOM 858 NH1 ARG A 51 -13.101 2.664 -15.828 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -15.387 2.382 -15.911 1.00 -0.97 N ATOM 0 H ARG A 51 -10.823 3.948 -9.332 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.607 3.899 -12.285 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.929 4.603 -10.686 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.313 6.029 -11.497 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.951 5.052 -12.948 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.385 4.763 -13.680 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.417 2.449 -13.154 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -13.624 2.647 -11.899 1.00 0.33 H new ATOM 0 HE ARG A 51 -15.317 2.510 -13.474 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -12.246 2.816 -15.293 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -13.059 2.582 -16.844 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -16.291 2.317 -15.442 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -15.332 2.302 -16.926 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.551 6.276 -12.193 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.561 7.343 -12.155 1.00 0.36 C ATOM 875 C LYS A 52 -9.217 8.611 -12.684 1.00 0.57 C ATOM 876 O LYS A 52 -9.377 8.765 -13.897 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.306 6.935 -12.949 1.00 0.00 C ATOM 878 CG LYS A 52 -6.072 7.597 -12.322 1.00 0.00 C ATOM 879 CD LYS A 52 -4.787 7.451 -13.149 1.00 0.00 C ATOM 880 CE LYS A 52 -4.549 8.658 -14.067 1.00 0.50 C ATOM 881 NZ LYS A 52 -5.407 8.647 -15.270 1.00 -0.85 N ATOM 0 H LYS A 52 -9.949 6.123 -13.120 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.222 7.532 -11.136 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.194 5.851 -12.943 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.406 7.239 -13.991 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.278 8.657 -12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.905 7.166 -11.335 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.936 7.334 -12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.845 6.544 -13.751 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.731 9.575 -13.506 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.503 8.674 -14.374 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -5.058 9.350 -15.952 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -5.384 7.702 -15.704 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -6.384 8.881 -15.002 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.657 9.481 -11.775 1.00 -0.73 N ATOM 896 CA VAL A 53 -10.306 10.736 -12.134 1.00 0.36 C ATOM 897 C VAL A 53 -9.240 11.774 -12.501 1.00 0.57 C ATOM 898 O VAL A 53 -8.085 11.672 -12.078 1.00 -0.57 O ATOM 899 CB VAL A 53 -11.243 11.214 -11.001 1.00 0.00 C ATOM 900 CG1 VAL A 53 -12.311 10.152 -10.693 1.00 0.00 C ATOM 901 CG2 VAL A 53 -10.499 11.588 -9.708 1.00 0.00 C ATOM 0 H VAL A 53 -9.572 9.333 -10.769 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.939 10.587 -13.009 1.00 0.36 H new ATOM 0 HB VAL A 53 -11.717 12.123 -11.371 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.959 10.509 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.907 9.965 -11.587 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.825 9.227 -10.381 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.218 11.914 -8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.955 10.719 -9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.796 12.396 -9.913 1.00 0.00 H new ATOM 911 N VAL A 54 -9.637 12.796 -13.264 1.00 -0.73 N ATOM 912 CA VAL A 54 -8.740 13.842 -13.764 1.00 0.36 C ATOM 913 C VAL A 54 -9.328 15.241 -13.506 1.00 0.57 C ATOM 914 O VAL A 54 -8.965 16.205 -14.179 1.00 -0.57 O ATOM 915 CB VAL A 54 -8.356 13.564 -15.242 1.00 0.00 C ATOM 916 CG1 VAL A 54 -7.523 12.275 -15.362 1.00 0.00 C ATOM 917 CG2 VAL A 54 -9.563 13.459 -16.192 1.00 0.00 C ATOM 0 H VAL A 54 -10.606 12.922 -13.556 1.00 -0.73 H new ATOM 0 HA VAL A 54 -7.803 13.822 -13.207 1.00 0.36 H new ATOM 0 HB VAL A 54 -7.771 14.431 -15.549 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.267 12.103 -16.408 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.609 12.377 -14.777 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.102 11.431 -14.987 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.212 13.264 -17.205 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.211 12.644 -15.869 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.122 14.395 -16.175 1.00 0.00 H new ATOM 927 N TRP A 55 -10.226 15.349 -12.513 1.00 -0.73 N ATOM 928 CA TRP A 55 -10.939 16.572 -12.161 1.00 0.36 C ATOM 929 C TRP A 55 -11.187 16.590 -10.648 1.00 0.57 C ATOM 930 O TRP A 55 -12.286 16.313 -10.174 1.00 -0.57 O ATOM 931 CB TRP A 55 -12.233 16.694 -12.980 1.00 0.18 C ATOM 932 CG TRP A 55 -12.796 18.083 -13.056 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -13.178 18.857 -12.016 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -13.043 18.884 -14.251 1.00 0.00 C ATOM 935 NE1 TRP A 55 -13.609 20.084 -12.476 1.00 0.03 N ATOM 936 CE2 TRP A 55 -13.559 20.152 -13.853 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -12.889 18.656 -15.635 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -13.908 21.145 -14.782 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -13.245 19.639 -16.576 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -13.755 20.879 -16.153 1.00 -0.15 C ATOM 0 H TRP A 55 -10.478 14.559 -11.919 1.00 -0.73 H new ATOM 0 HA TRP A 55 -10.336 17.446 -12.409 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -12.042 16.338 -13.992 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -12.985 16.035 -12.547 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -13.150 18.559 -10.978 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -13.925 20.845 -11.874 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -12.492 17.712 -15.977 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -14.288 22.099 -14.448 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -13.126 19.440 -17.631 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -14.029 21.627 -16.882 1.00 -0.15 H new ATOM 951 N GLY A 56 -10.128 16.867 -9.884 1.00 -0.73 N ATOM 952 CA GLY A 56 -10.149 16.856 -8.427 1.00 0.36 C ATOM 953 C GLY A 56 -9.264 15.751 -7.862 1.00 0.57 C ATOM 954 O GLY A 56 -8.766 14.893 -8.600 1.00 -0.57 O ATOM 0 H GLY A 56 -9.216 17.109 -10.272 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -9.812 17.822 -8.050 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -11.172 16.718 -8.078 1.00 0.36 H new ATOM 958 N THR A 57 -9.039 15.813 -6.552 1.00 -0.73 N ATOM 959 CA THR A 57 -8.321 14.810 -5.786 1.00 0.36 C ATOM 960 C THR A 57 -9.095 13.485 -5.799 1.00 0.57 C ATOM 961 O THR A 57 -10.234 13.413 -6.266 1.00 -0.57 O ATOM 962 CB THR A 57 -8.114 15.361 -4.362 1.00 0.28 C ATOM 963 OG1 THR A 57 -9.342 15.831 -3.849 1.00 -0.68 O ATOM 964 CG2 THR A 57 -7.149 16.555 -4.360 1.00 0.00 C ATOM 0 H THR A 57 -9.365 16.592 -5.979 1.00 -0.73 H new ATOM 0 HA THR A 57 -7.345 14.601 -6.224 1.00 0.36 H new ATOM 0 HB THR A 57 -7.709 14.549 -3.759 1.00 0.28 H new ATOM 0 HG1 THR A 57 -9.206 16.179 -2.943 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -7.024 16.920 -3.341 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.182 16.242 -4.754 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.554 17.352 -4.984 1.00 0.00 H new ATOM 972 N ALA A 58 -8.469 12.431 -5.275 1.00 -0.73 N ATOM 973 CA ALA A 58 -9.023 11.091 -5.279 1.00 0.36 C ATOM 974 C ALA A 58 -8.995 10.521 -3.865 1.00 0.57 C ATOM 975 O ALA A 58 -8.479 11.140 -2.927 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.229 10.247 -6.279 1.00 0.00 C ATOM 0 H ALA A 58 -7.552 12.492 -4.832 1.00 -0.73 H new ATOM 0 HA ALA A 58 -10.067 11.092 -5.593 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.629 9.233 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.310 10.688 -7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.181 10.218 -5.979 1.00 0.00 H new ATOM 982 N ASP A 59 -9.567 9.329 -3.708 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.605 8.641 -2.427 1.00 0.36 C ATOM 984 C ASP A 59 -8.194 8.196 -2.049 1.00 0.57 C ATOM 985 O ASP A 59 -7.803 8.377 -0.899 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.553 7.443 -2.500 1.00 0.06 C ATOM 987 CG ASP A 59 -11.979 7.834 -2.892 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.331 7.542 -4.023 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.727 8.494 -2.012 1.00 -0.65 O ATOM 0 H ASP A 59 -10.016 8.816 -4.467 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.977 9.319 -1.659 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.167 6.725 -3.223 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.572 6.942 -1.532 1.00 0.06 H new ATOM 995 N ILE A 60 -7.419 7.704 -3.027 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.068 7.184 -2.843 1.00 0.36 C ATOM 997 C ILE A 60 -5.114 8.028 -3.700 1.00 0.57 C ATOM 998 O ILE A 60 -4.834 7.725 -4.864 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.022 5.672 -3.172 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.002 4.835 -2.317 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.594 5.134 -2.974 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.336 3.478 -2.950 1.00 0.00 C ATOM 0 H ILE A 60 -7.731 7.658 -3.997 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.750 7.266 -1.804 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.330 5.572 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.568 4.673 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.923 5.399 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.571 4.070 -3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.910 5.666 -3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.289 5.285 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.027 2.936 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.797 3.635 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.421 2.898 -3.070 1.00 0.00 H new ATOM 1014 N MET A 61 -4.637 9.124 -3.120 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.579 9.951 -3.660 1.00 0.36 C ATOM 1016 C MET A 61 -2.240 9.336 -3.262 1.00 0.57 C ATOM 1017 O MET A 61 -1.947 9.198 -2.076 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.745 11.398 -3.168 1.00 0.00 C ATOM 1019 CG MET A 61 -2.608 12.334 -3.577 1.00 0.23 C ATOM 1020 SD MET A 61 -1.442 12.742 -2.240 1.00 -0.46 S ATOM 1021 CE MET A 61 -2.475 13.878 -1.270 1.00 0.23 C ATOM 0 H MET A 61 -4.994 9.468 -2.229 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.623 9.989 -4.748 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.684 11.795 -3.554 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.823 11.393 -2.081 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.054 11.875 -4.396 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.037 13.259 -3.961 1.00 0.23 H new ATOM 0 HE1 MET A 61 -1.877 14.325 -0.476 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.861 14.663 -1.920 1.00 0.23 H new ATOM 0 HE3 MET A 61 -3.308 13.328 -0.831 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.420 8.980 -4.250 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.067 8.475 -4.032 1.00 0.36 C ATOM 1033 C ILE A 62 0.884 9.601 -4.440 1.00 0.57 C ATOM 1034 O ILE A 62 0.761 10.133 -5.544 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.148 7.178 -4.844 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.750 6.020 -4.345 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.614 6.722 -4.830 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.809 5.632 -5.382 1.00 0.00 C ATOM 0 H ILE A 62 -1.680 9.035 -5.235 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.116 8.207 -2.991 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.134 7.424 -5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.131 5.153 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.241 6.315 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.716 5.807 -5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.241 7.501 -5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.927 6.534 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.418 4.816 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.445 6.492 -5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.318 5.312 -6.301 1.00 0.00 H new ATOM 1050 N GLY A 63 1.837 9.959 -3.576 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.831 10.978 -3.891 1.00 0.36 C ATOM 1052 C GLY A 63 4.206 10.609 -3.351 1.00 0.57 C ATOM 1053 O GLY A 63 4.325 9.770 -2.470 1.00 -0.57 O ATOM 0 H GLY A 63 1.938 9.552 -2.646 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.888 11.109 -4.972 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.519 11.934 -3.470 1.00 0.36 H new ATOM 1057 N PHE A 64 5.250 11.255 -3.860 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.635 10.991 -3.491 1.00 0.36 C ATOM 1059 C PHE A 64 7.280 12.356 -3.274 1.00 0.57 C ATOM 1060 O PHE A 64 6.939 13.304 -3.996 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.390 10.172 -4.563 1.00 0.14 C ATOM 1062 CG PHE A 64 6.714 8.892 -5.030 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.538 8.985 -5.784 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.222 7.617 -4.714 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.809 7.844 -6.136 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.479 6.466 -5.037 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.254 6.585 -5.721 1.00 -0.15 C ATOM 0 H PHE A 64 5.154 11.994 -4.557 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.679 10.379 -2.590 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.551 10.811 -5.431 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.373 9.916 -4.169 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.187 9.956 -6.100 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.180 7.523 -4.225 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.908 7.935 -6.725 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.849 5.490 -4.760 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.660 5.706 -5.925 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.150 12.438 -2.260 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.838 13.648 -1.819 1.00 0.36 C ATOM 1079 C ALA A 65 10.208 13.278 -1.233 1.00 0.57 C ATOM 1080 O ALA A 65 10.599 12.119 -1.289 1.00 -0.57 O ATOM 1081 CB ALA A 65 7.965 14.349 -0.775 1.00 0.00 C ATOM 0 H ALA A 65 8.402 11.622 -1.702 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.003 14.323 -2.659 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.464 15.256 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.004 14.608 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.805 13.682 0.072 1.00 0.00 H new ATOM 1087 N ARG A 66 10.941 14.232 -0.652 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.304 14.029 -0.139 1.00 0.36 C ATOM 1089 C ARG A 66 12.454 14.655 1.256 1.00 0.57 C ATOM 1090 O ARG A 66 13.286 15.543 1.491 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.341 14.540 -1.157 1.00 0.00 C ATOM 1092 CG ARG A 66 13.118 16.016 -1.534 1.00 0.00 C ATOM 1093 CD ARG A 66 14.410 16.705 -1.993 1.00 0.33 C ATOM 1094 NE ARG A 66 14.490 18.063 -1.436 1.00 -0.84 N ATOM 1095 CZ ARG A 66 15.257 19.067 -1.868 1.00 1.20 C ATOM 1096 NH1 ARG A 66 16.125 18.901 -2.860 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 15.163 20.259 -1.298 1.00 -0.97 N ATOM 0 H ARG A 66 10.600 15.185 -0.521 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.494 12.963 -0.015 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.342 14.421 -0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.294 13.927 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.375 16.077 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.710 16.550 -0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.274 16.122 -1.674 1.00 0.33 H new ATOM 0 HD3 ARG A 66 14.440 16.749 -3.082 1.00 0.33 H new ATOM 0 HE ARG A 66 13.895 18.260 -0.632 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 16.217 17.990 -3.310 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 16.699 19.684 -3.171 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 14.506 20.408 -0.532 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 15.747 21.028 -1.625 1.00 -0.97 H new ATOM 1111 N GLY A 67 11.535 14.279 2.145 1.00 -0.73 N ATOM 1112 CA GLY A 67 11.431 14.842 3.477 1.00 0.36 C ATOM 1113 C GLY A 67 10.070 15.503 3.662 1.00 0.57 C ATOM 1114 O GLY A 67 9.020 14.863 3.539 1.00 -0.57 O ATOM 0 H GLY A 67 10.835 13.563 1.950 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 11.568 14.059 4.223 1.00 0.36 H new ATOM 0 HA3 GLY A 67 12.224 15.574 3.634 1.00 0.36 H new ATOM 1118 N ALA A 68 10.081 16.803 3.964 1.00 -0.73 N ATOM 1119 CA ALA A 68 8.863 17.583 4.102 1.00 0.36 C ATOM 1120 C ALA A 68 8.171 17.745 2.745 1.00 0.57 C ATOM 1121 O ALA A 68 8.826 18.000 1.733 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.194 18.936 4.742 1.00 0.00 C ATOM 0 H ALA A 68 10.936 17.338 4.118 1.00 -0.73 H new ATOM 0 HA ALA A 68 8.165 17.060 4.755 1.00 0.36 H new ATOM 0 HB1 ALA A 68 8.281 19.522 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.636 18.775 5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.901 19.474 4.110 1.00 0.00 H new ATOM 1128 N HIS A 69 6.840 17.614 2.751 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.007 17.719 1.562 1.00 0.36 C ATOM 1130 C HIS A 69 4.824 18.650 1.813 1.00 0.57 C ATOM 1131 O HIS A 69 4.757 19.689 1.162 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.563 16.334 1.050 1.00 0.17 C ATOM 1133 CG HIS A 69 5.362 15.224 2.062 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.311 14.643 2.887 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 4.208 14.506 2.231 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.719 13.641 3.560 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.443 13.505 3.172 1.00 -0.70 N ATOM 0 H HIS A 69 6.308 17.429 3.601 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.608 18.160 0.767 1.00 0.36 H new ATOM 0 HB2 HIS A 69 4.626 16.464 0.509 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.304 15.994 0.326 1.00 0.17 H new ATOM 0 HD1 HIS A 69 7.288 14.926 2.969 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 3.273 14.685 1.721 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.203 13.031 4.308 1.00 0.65 H new ATOM 0 HE2 HIS A 69 3.776 12.807 3.501 1.00 -0.70 H new ATOM 1146 N GLY A 70 3.917 18.320 2.744 1.00 -0.73 N ATOM 1147 CA GLY A 70 2.797 19.205 3.062 1.00 0.36 C ATOM 1148 C GLY A 70 1.530 18.439 3.402 1.00 0.57 C ATOM 1149 O GLY A 70 0.511 18.606 2.734 1.00 -0.57 O ATOM 0 H GLY A 70 3.940 17.454 3.283 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.069 19.843 3.903 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.604 19.862 2.214 1.00 0.36 H new ATOM 1153 N ASP A 71 1.608 17.572 4.412 1.00 -0.73 N ATOM 1154 CA ASP A 71 0.543 16.667 4.809 1.00 0.36 C ATOM 1155 C ASP A 71 0.254 16.857 6.305 1.00 0.57 C ATOM 1156 O ASP A 71 -0.793 17.406 6.650 1.00 -0.57 O ATOM 1157 CB ASP A 71 0.946 15.226 4.423 1.00 0.06 C ATOM 1158 CG ASP A 71 2.156 14.663 5.188 1.00 0.66 C ATOM 1159 OD1 ASP A 71 3.048 15.432 5.507 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.096 13.390 5.568 1.00 -0.65 O ATOM 0 H ASP A 71 2.443 17.482 4.991 1.00 -0.73 H new ATOM 0 HA ASP A 71 -0.389 16.882 4.287 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.092 14.569 4.589 1.00 0.06 H new ATOM 0 HB3 ASP A 71 1.166 15.200 3.356 1.00 0.06 H new ATOM 1166 N SER A 72 1.203 16.488 7.170 1.00 -0.73 N ATOM 1167 CA SER A 72 1.142 16.470 8.626 1.00 0.36 C ATOM 1168 C SER A 72 2.447 15.890 9.205 1.00 0.57 C ATOM 1169 O SER A 72 2.850 16.306 10.291 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.046 15.610 9.109 1.00 0.28 C ATOM 1171 OG SER A 72 -1.011 16.380 9.798 1.00 -0.68 O ATOM 0 H SER A 72 2.111 16.167 6.835 1.00 -0.73 H new ATOM 0 HA SER A 72 1.009 17.495 8.972 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.514 15.124 8.253 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.321 14.819 9.763 1.00 0.28 H new ATOM 0 HG SER A 72 -1.747 15.801 10.086 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.121 14.962 8.499 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.295 14.251 8.998 1.00 0.36 C ATOM 1179 C TYR A 73 5.401 14.334 7.939 1.00 0.57 C ATOM 1180 O TYR A 73 5.383 13.568 6.980 1.00 -0.57 O ATOM 1181 CB TYR A 73 3.952 12.790 9.342 1.00 0.14 C ATOM 1182 CG TYR A 73 3.009 12.639 10.520 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.514 12.605 11.836 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.621 12.562 10.300 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.635 12.518 12.931 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.735 12.483 11.390 1.00 -0.15 C ATOM 1187 CZ TYR A 73 1.237 12.477 12.712 1.00 0.08 C ATOM 1188 OH TYR A 73 0.368 12.457 13.762 1.00 -0.53 O ATOM 0 H TYR A 73 2.855 14.687 7.553 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.643 14.716 9.920 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.504 12.317 8.468 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.875 12.252 9.557 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.580 12.646 12.004 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.235 12.564 9.291 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 3.026 12.483 13.937 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.330 12.427 11.217 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.552 12.430 13.425 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.370 15.253 8.071 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.480 15.306 7.135 1.00 0.36 C ATOM 1200 C PRO A 74 8.332 14.035 7.280 1.00 0.57 C ATOM 1201 O PRO A 74 8.559 13.552 8.395 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.222 16.601 7.468 1.00 0.00 C ATOM 1203 CG PRO A 74 7.851 16.937 8.911 1.00 0.00 C ATOM 1204 CD PRO A 74 6.535 16.201 9.161 1.00 0.30 C ATOM 0 HA PRO A 74 7.178 15.324 6.088 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.299 16.472 7.361 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.928 17.404 6.792 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.625 16.609 9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.735 18.012 9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.557 15.686 10.121 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.701 16.901 9.194 1.00 0.30 H new ATOM 1212 N PHE A 75 8.785 13.487 6.146 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.755 12.399 6.131 1.00 0.36 C ATOM 1214 C PHE A 75 11.146 12.911 6.527 1.00 0.57 C ATOM 1215 O PHE A 75 11.377 14.117 6.652 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.837 11.764 4.735 1.00 0.14 C ATOM 1217 CG PHE A 75 8.698 10.869 4.326 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.442 9.688 5.050 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 7.958 11.169 3.170 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.405 8.835 4.648 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 6.923 10.318 2.769 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.643 9.163 3.516 1.00 -0.15 C ATOM 0 H PHE A 75 8.487 13.788 5.218 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.424 11.650 6.851 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.918 12.566 4.002 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.760 11.186 4.679 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.043 9.441 5.912 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.187 12.053 2.593 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.194 7.934 5.204 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.342 10.549 1.888 1.00 -0.15 H new ATOM 0 HZ PHE A 75 5.830 8.518 3.216 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.080 11.968 6.657 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.493 12.179 6.948 1.00 0.36 C ATOM 1234 C ASP A 76 14.351 12.213 5.656 1.00 0.57 C ATOM 1235 O ASP A 76 15.253 13.055 5.568 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.922 11.002 7.857 1.00 0.06 C ATOM 1237 CG ASP A 76 13.587 9.659 7.209 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.458 9.226 7.373 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 14.478 9.106 6.391 1.00 -0.65 O ATOM 0 H ASP A 76 11.854 10.979 6.555 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.645 13.143 7.434 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.993 11.059 8.051 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.419 11.080 8.821 1.00 0.06 H new ATOM 1245 N GLY A 77 14.108 11.347 4.655 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.013 11.153 3.518 1.00 0.36 C ATOM 1247 C GLY A 77 15.505 9.697 3.415 1.00 0.57 C ATOM 1248 O GLY A 77 14.706 8.784 3.571 1.00 -0.57 O ATOM 0 H GLY A 77 13.273 10.762 4.616 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.501 11.429 2.596 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.870 11.819 3.619 1.00 0.36 H new ATOM 1252 N PRO A 78 16.783 9.421 3.103 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.288 8.063 2.940 1.00 0.36 C ATOM 1254 C PRO A 78 17.615 7.437 4.314 1.00 0.57 C ATOM 1255 O PRO A 78 18.704 7.659 4.850 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.494 8.213 2.006 1.00 0.00 C ATOM 1257 CG PRO A 78 19.031 9.615 2.305 1.00 0.00 C ATOM 1258 CD PRO A 78 17.835 10.390 2.859 1.00 0.30 C ATOM 0 HA PRO A 78 16.566 7.372 2.506 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.246 7.449 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.202 8.113 0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.846 9.579 3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.424 10.087 1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.103 10.909 3.779 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.504 11.149 2.150 1.00 0.30 H new ATOM 1266 N GLY A 79 16.674 6.686 4.906 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.820 5.954 6.163 1.00 0.36 C ATOM 1268 C GLY A 79 15.474 5.801 6.892 1.00 0.57 C ATOM 1269 O GLY A 79 14.483 6.404 6.505 1.00 -0.57 O ATOM 0 H GLY A 79 15.747 6.570 4.497 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.240 4.968 5.963 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.526 6.476 6.808 1.00 0.36 H new ATOM 1273 N ASN A 80 15.436 5.054 8.002 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.239 4.922 8.854 1.00 0.36 C ATOM 1275 C ASN A 80 12.950 4.630 8.040 1.00 0.57 C ATOM 1276 O ASN A 80 13.000 3.816 7.120 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.147 6.165 9.774 1.00 0.06 C ATOM 1278 CG ASN A 80 13.452 5.833 11.093 1.00 0.57 C ATOM 1279 OD1 ASN A 80 13.770 4.839 11.728 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 12.503 6.634 11.549 1.00 -0.80 N ATOM 0 H ASN A 80 16.237 4.520 8.340 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.337 4.042 9.489 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.148 6.546 9.975 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.601 6.958 9.263 1.00 0.06 H new ATOM 0 HD21 ASN A 80 12.037 6.422 12.431 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 12.238 7.464 11.019 1.00 -0.80 H new ATOM 1287 N THR A 81 11.810 5.250 8.377 1.00 -0.73 N ATOM 1288 CA THR A 81 10.541 5.208 7.652 1.00 0.36 C ATOM 1289 C THR A 81 10.737 5.561 6.163 1.00 0.57 C ATOM 1290 O THR A 81 11.247 6.632 5.844 1.00 -0.57 O ATOM 1291 CB THR A 81 9.573 6.213 8.323 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.765 6.260 9.727 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.097 5.895 8.062 1.00 0.00 C ATOM 0 H THR A 81 11.750 5.828 9.215 1.00 -0.73 H new ATOM 0 HA THR A 81 10.130 4.199 7.692 1.00 0.36 H new ATOM 0 HB THR A 81 9.810 7.176 7.871 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.141 6.904 10.121 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.472 6.636 8.559 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.904 5.918 6.989 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.864 4.904 8.451 1.00 0.00 H new ATOM 1301 N LEU A 82 10.305 4.691 5.245 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.499 4.841 3.800 1.00 0.36 C ATOM 1303 C LEU A 82 9.257 5.388 3.081 1.00 0.57 C ATOM 1304 O LEU A 82 9.382 6.060 2.056 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.857 3.479 3.179 1.00 0.00 C ATOM 1306 CG LEU A 82 12.209 2.912 3.662 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.088 1.902 4.807 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.885 2.193 2.503 1.00 0.00 C ATOM 0 H LEU A 82 9.798 3.841 5.493 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.307 5.561 3.670 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.069 2.764 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.882 3.580 2.094 1.00 0.00 H new ATOM 0 HG LEU A 82 12.780 3.766 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.081 1.551 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.615 2.380 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.482 1.056 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.842 1.789 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.247 1.379 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.051 2.895 1.686 1.00 0.00 H new ATOM 1320 N ALA A 83 8.060 5.080 3.586 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.790 5.529 3.030 1.00 0.36 C ATOM 1322 C ALA A 83 5.729 5.426 4.126 1.00 0.57 C ATOM 1323 O ALA A 83 5.925 4.697 5.098 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.423 4.680 1.805 1.00 0.00 C ATOM 0 H ALA A 83 7.949 4.496 4.415 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.859 6.564 2.695 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.472 5.023 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.201 4.779 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.335 3.634 2.100 1.00 0.00 H new ATOM 1330 N HIS A 84 4.621 6.153 4.000 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.511 6.031 4.933 1.00 0.36 C ATOM 1332 C HIS A 84 2.174 6.216 4.220 1.00 0.57 C ATOM 1333 O HIS A 84 2.083 6.897 3.198 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.695 6.980 6.128 1.00 0.17 C ATOM 1335 CG HIS A 84 3.871 8.456 5.838 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.373 9.370 6.732 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.596 9.150 4.685 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.394 10.567 6.127 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.920 10.490 4.877 1.00 -0.70 N ATOM 0 H HIS A 84 4.471 6.835 3.256 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.503 5.020 5.340 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.829 6.868 6.781 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.565 6.644 6.692 1.00 0.17 H new ATOM 0 HD1 HIS A 84 4.676 9.174 7.686 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 3.194 8.725 3.777 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.748 11.477 6.589 1.00 0.65 H new ATOM 1348 N ALA A 85 1.124 5.638 4.801 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.205 5.606 4.228 1.00 0.36 C ATOM 1350 C ALA A 85 -1.204 5.877 5.338 1.00 0.57 C ATOM 1351 O ALA A 85 -0.983 5.513 6.500 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.454 4.236 3.588 1.00 0.00 C ATOM 0 H ALA A 85 1.184 5.170 5.705 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.311 6.364 3.452 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.455 4.212 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.283 4.061 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.368 3.459 4.347 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.308 6.520 4.967 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.347 6.908 5.898 1.00 0.36 C ATOM 1360 C PHE A 86 -4.531 5.967 5.707 1.00 0.57 C ATOM 1361 O PHE A 86 -4.755 5.443 4.616 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.690 8.388 5.666 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.472 9.303 5.542 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.388 9.218 6.440 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.384 10.186 4.454 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.239 10.006 6.240 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.249 10.986 4.262 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.172 10.896 5.157 1.00 -0.15 C ATOM 0 H PHE A 86 -2.502 6.786 4.001 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.028 6.820 6.937 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.287 8.473 4.758 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.311 8.739 6.490 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.440 8.546 7.284 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.204 10.250 3.754 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.594 9.925 6.922 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.204 11.670 3.427 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.705 11.509 5.013 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.288 5.730 6.777 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.468 4.875 6.704 1.00 0.36 C ATOM 1380 C ALA A 87 -7.588 5.594 5.950 1.00 0.57 C ATOM 1381 O ALA A 87 -7.600 6.826 5.949 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.899 4.534 8.121 1.00 0.00 C ATOM 0 H ALA A 87 -5.105 6.118 7.702 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.239 3.956 6.163 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.781 3.894 8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.090 4.011 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.135 5.451 8.660 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.523 4.872 5.309 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.614 5.507 4.590 1.00 0.36 C ATOM 1390 C PRO A 88 -10.598 6.199 5.537 1.00 0.57 C ATOM 1391 O PRO A 88 -10.616 5.964 6.748 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.267 4.396 3.774 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.887 3.095 4.456 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.615 3.422 5.240 1.00 0.30 C ATOM 0 HA PRO A 88 -9.256 6.307 3.942 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.350 4.519 3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.916 4.412 2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.681 2.748 5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.710 2.303 3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.656 2.990 6.240 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.738 3.002 4.746 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.434 7.052 4.944 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.557 7.684 5.609 1.00 0.36 C ATOM 1404 C GLY A 89 -13.100 8.781 4.709 1.00 0.57 C ATOM 1405 O GLY A 89 -14.155 8.635 4.096 1.00 -0.57 O ATOM 0 H GLY A 89 -11.341 7.324 3.965 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.334 6.949 5.820 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -12.244 8.101 6.566 1.00 0.36 H new ATOM 1409 N THR A 90 -12.324 9.859 4.580 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.665 11.049 3.812 1.00 0.36 C ATOM 1411 C THR A 90 -11.428 11.956 3.805 1.00 0.57 C ATOM 1412 O THR A 90 -10.694 12.003 4.804 1.00 -0.57 O ATOM 1413 CB THR A 90 -13.933 11.725 4.400 1.00 0.28 C ATOM 1414 OG1 THR A 90 -14.210 12.921 3.706 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -13.884 12.026 5.907 1.00 0.00 C ATOM 0 H THR A 90 -11.409 9.926 5.025 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.921 10.809 2.780 1.00 0.36 H new ATOM 0 HB THR A 90 -14.724 10.987 4.267 1.00 0.28 H new ATOM 0 HG1 THR A 90 -15.012 13.339 4.083 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -14.818 12.497 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.747 11.096 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.052 12.698 6.117 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.190 12.651 2.686 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.103 13.607 2.523 1.00 0.36 C ATOM 1425 C GLY A 91 -8.752 12.918 2.498 1.00 0.57 C ATOM 1426 O GLY A 91 -8.588 11.968 1.735 1.00 -0.57 O ATOM 0 H GLY A 91 -11.767 12.557 1.850 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.244 14.165 1.598 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.128 14.330 3.338 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.796 13.408 3.307 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.434 12.873 3.426 1.00 0.36 C ATOM 1432 C LEU A 92 -6.422 11.358 3.695 1.00 0.57 C ATOM 1433 O LEU A 92 -5.465 10.672 3.353 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.679 13.613 4.549 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.152 13.347 4.547 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.376 14.465 3.844 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.634 13.157 5.980 1.00 0.00 C ATOM 0 H LEU A 92 -7.958 14.212 3.913 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.934 13.036 2.471 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.853 14.684 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.091 13.312 5.512 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.985 12.428 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.310 14.238 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.709 14.544 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.556 15.410 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.560 12.971 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.834 14.057 6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.139 12.308 6.440 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.482 10.814 4.307 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.613 9.377 4.488 1.00 0.36 C ATOM 1451 C GLY A 93 -7.357 8.618 3.183 1.00 0.57 C ATOM 1452 O GLY A 93 -7.678 9.112 2.098 1.00 -0.57 O ATOM 0 H GLY A 93 -8.260 11.356 4.684 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.909 9.040 5.249 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.613 9.146 4.854 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.726 7.448 3.300 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.325 6.574 2.205 1.00 0.36 C ATOM 1458 C GLY A 94 -5.094 7.042 1.440 1.00 0.57 C ATOM 1459 O GLY A 94 -4.449 6.221 0.791 1.00 -0.57 O ATOM 0 H GLY A 94 -6.469 7.068 4.211 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.132 5.578 2.604 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.157 6.482 1.507 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.762 8.334 1.485 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.646 8.862 0.711 1.00 0.36 C ATOM 1465 C ASP A 95 -2.345 8.339 1.325 1.00 0.57 C ATOM 1466 O ASP A 95 -2.300 7.931 2.491 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.730 10.403 0.640 1.00 0.06 C ATOM 1468 CG ASP A 95 -5.084 10.834 0.062 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.552 10.206 -0.874 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.784 11.834 0.590 1.00 -0.65 O ATOM 0 H ASP A 95 -5.251 9.029 2.049 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.681 8.520 -0.323 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.600 10.828 1.635 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.922 10.790 0.020 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.281 8.321 0.528 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.008 7.760 0.936 1.00 0.36 C ATOM 1478 C ALA A 96 1.123 8.536 0.286 1.00 0.57 C ATOM 1479 O ALA A 96 0.999 9.026 -0.844 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.048 6.271 0.564 1.00 0.00 C ATOM 0 H ALA A 96 -1.283 8.697 -0.420 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.102 7.841 2.017 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.007 5.855 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.758 5.739 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.065 6.161 -0.515 1.00 0.00 H new ATOM 1486 N HIS A 97 2.248 8.616 0.991 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.429 9.315 0.516 1.00 0.36 C ATOM 1488 C HIS A 97 4.649 8.427 0.707 1.00 0.57 C ATOM 1489 O HIS A 97 4.627 7.489 1.502 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.596 10.692 1.177 1.00 0.17 C ATOM 1491 CG HIS A 97 2.361 11.555 1.158 1.00 0.18 C ATOM 1492 ND1 HIS A 97 1.831 12.192 2.263 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.563 11.817 0.081 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.709 12.816 1.854 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.522 12.597 0.535 1.00 -0.70 N ATOM 0 H HIS A 97 2.362 8.194 1.913 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.311 9.519 -0.548 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.906 10.548 2.212 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.403 11.225 0.674 1.00 0.17 H new ATOM 0 HD2 HIS A 97 1.718 11.478 -0.932 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.058 13.402 2.486 1.00 0.65 H new ATOM 0 HE2 HIS A 97 -0.254 12.947 -0.027 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.718 8.739 -0.026 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.918 7.923 -0.137 1.00 0.36 C ATOM 1506 C PHE A 98 8.135 8.863 -0.175 1.00 0.57 C ATOM 1507 O PHE A 98 8.043 9.960 -0.735 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.829 7.113 -1.444 1.00 0.14 C ATOM 1509 CG PHE A 98 5.709 6.078 -1.571 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.364 6.478 -1.710 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.009 4.701 -1.601 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.331 5.531 -1.772 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.979 3.752 -1.738 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.640 4.167 -1.814 1.00 -0.15 C ATOM 0 H PHE A 98 5.770 9.597 -0.576 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.014 7.239 0.707 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.727 7.819 -2.268 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.779 6.596 -1.582 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.125 7.530 -1.770 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.035 4.373 -1.518 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.300 5.854 -1.787 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.220 2.700 -1.785 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.851 3.435 -1.905 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.272 8.438 0.387 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.548 9.132 0.216 1.00 0.36 C ATOM 1526 C ASP A 99 11.122 8.736 -1.154 1.00 0.57 C ATOM 1527 O ASP A 99 11.656 7.645 -1.320 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.546 8.773 1.341 1.00 0.06 C ATOM 1529 CG ASP A 99 11.667 9.782 2.487 1.00 0.66 C ATOM 1530 OD1 ASP A 99 11.924 9.337 3.593 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.566 11.074 2.188 1.00 -0.65 O ATOM 0 H ASP A 99 9.331 7.604 0.972 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.385 10.208 0.268 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.256 7.810 1.762 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.532 8.642 0.895 1.00 0.06 H new ATOM 1537 N GLU A 100 11.038 9.617 -2.152 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.716 9.513 -3.450 1.00 0.36 C ATOM 1539 C GLU A 100 13.253 9.486 -3.283 1.00 0.57 C ATOM 1540 O GLU A 100 13.967 9.001 -4.158 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.296 10.733 -4.297 1.00 0.00 C ATOM 1542 CG GLU A 100 11.326 10.524 -5.818 1.00 0.06 C ATOM 1543 CD GLU A 100 11.393 11.880 -6.543 1.00 0.66 C ATOM 1544 OE1 GLU A 100 10.425 12.620 -6.482 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 12.521 12.186 -7.177 1.00 -0.65 O ATOM 0 H GLU A 100 10.471 10.461 -2.077 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.429 8.582 -3.939 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.286 11.024 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.951 11.568 -4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.188 9.915 -6.091 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.437 9.978 -6.134 1.00 0.06 H new ATOM 1553 N ASP A 101 13.754 10.018 -2.156 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.171 10.044 -1.778 1.00 0.36 C ATOM 1555 C ASP A 101 15.683 8.614 -1.544 1.00 0.57 C ATOM 1556 O ASP A 101 16.801 8.271 -1.936 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.321 10.922 -0.512 1.00 0.06 C ATOM 1558 CG ASP A 101 16.720 11.514 -0.262 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.698 10.851 -0.566 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 16.784 12.700 0.336 1.00 -0.65 O ATOM 0 H ASP A 101 13.156 10.459 -1.457 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.774 10.472 -2.579 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.607 11.743 -0.577 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.041 10.324 0.355 1.00 0.06 H new ATOM 1566 N GLU A 102 14.839 7.749 -0.964 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.133 6.329 -0.803 1.00 0.36 C ATOM 1568 C GLU A 102 15.137 5.728 -2.211 1.00 0.57 C ATOM 1569 O GLU A 102 14.232 6.006 -2.998 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.081 5.644 0.095 1.00 0.00 C ATOM 1571 CG GLU A 102 13.944 6.293 1.484 1.00 0.06 C ATOM 1572 CD GLU A 102 14.701 5.633 2.628 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.266 5.876 3.742 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.816 4.955 2.373 1.00 -0.65 O ATOM 0 H GLU A 102 13.929 8.023 -0.593 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.095 6.179 -0.313 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.114 5.671 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.348 4.594 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.276 7.328 1.409 1.00 0.06 H new ATOM 0 HG3 GLU A 102 12.886 6.316 1.745 1.00 0.06 H new ATOM 1582 N ARG A 103 16.147 4.916 -2.551 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.171 4.221 -3.843 1.00 0.36 C ATOM 1584 C ARG A 103 14.892 3.417 -4.017 1.00 0.57 C ATOM 1585 O ARG A 103 14.372 2.912 -3.031 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.360 3.259 -3.942 1.00 0.00 C ATOM 1587 CG ARG A 103 18.691 3.967 -4.210 1.00 0.00 C ATOM 1588 CD ARG A 103 19.625 2.978 -4.914 1.00 0.33 C ATOM 1589 NE ARG A 103 21.004 3.472 -4.987 1.00 -0.84 N ATOM 1590 CZ ARG A 103 22.064 2.739 -5.363 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.920 1.479 -5.785 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 23.279 3.283 -5.316 1.00 -0.97 N ATOM 0 H ARG A 103 16.952 4.726 -1.954 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.262 4.979 -4.621 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.438 2.692 -3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.172 2.540 -4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.534 4.849 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 103 19.135 4.309 -3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.610 2.026 -4.383 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.256 2.787 -5.922 1.00 0.33 H new ATOM 0 HE ARG A 103 21.170 4.446 -4.733 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 20.992 1.058 -5.826 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.738 0.939 -6.066 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 23.395 4.245 -4.997 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 24.093 2.738 -5.599 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.447 3.193 -5.252 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.269 2.381 -5.524 1.00 0.36 C ATOM 1608 C TRP A 104 13.641 1.433 -6.666 1.00 0.57 C ATOM 1609 O TRP A 104 14.267 1.869 -7.628 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.089 3.310 -5.863 1.00 0.18 C ATOM 1611 CG TRP A 104 11.533 4.126 -4.724 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.718 5.453 -4.530 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.802 3.670 -3.537 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.181 5.834 -3.319 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.619 4.775 -2.653 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.346 2.419 -3.075 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.047 4.654 -1.378 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.788 2.284 -1.790 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.630 3.390 -0.940 1.00 -0.15 C ATOM 0 H TRP A 104 14.894 3.569 -6.088 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.955 1.786 -4.667 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.407 3.994 -6.650 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.283 2.703 -6.274 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.214 6.116 -5.223 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.199 6.789 -2.961 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.426 1.553 -3.715 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.930 5.521 -0.744 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.474 1.308 -1.450 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.192 3.268 0.040 1.00 -0.15 H new ATOM 1630 N THR A 105 13.278 0.146 -6.574 1.00 -0.73 N ATOM 1631 CA THR A 105 13.561 -0.848 -7.615 1.00 0.36 C ATOM 1632 C THR A 105 12.271 -1.621 -7.874 1.00 0.57 C ATOM 1633 O THR A 105 11.540 -1.915 -6.937 1.00 -0.57 O ATOM 1634 CB THR A 105 14.747 -1.761 -7.221 1.00 0.28 C ATOM 1635 OG1 THR A 105 15.006 -2.715 -8.235 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.537 -2.511 -5.903 1.00 0.00 C ATOM 0 H THR A 105 12.778 -0.235 -5.771 1.00 -0.73 H new ATOM 0 HA THR A 105 13.877 -0.362 -8.538 1.00 0.36 H new ATOM 0 HB THR A 105 15.594 -1.087 -7.092 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.974 -2.821 -8.344 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.409 -3.130 -5.694 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.398 -1.794 -5.094 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.653 -3.144 -5.982 1.00 0.00 H new ATOM 1644 N ASP A 106 11.974 -1.949 -9.133 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.840 -2.797 -9.506 1.00 0.36 C ATOM 1646 C ASP A 106 10.957 -4.149 -8.789 1.00 0.57 C ATOM 1647 O ASP A 106 10.045 -4.556 -8.070 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.854 -2.896 -11.045 1.00 0.06 C ATOM 1649 CG ASP A 106 10.112 -4.064 -11.708 1.00 0.66 C ATOM 1650 OD1 ASP A 106 9.345 -4.756 -11.059 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 10.382 -4.227 -13.000 1.00 -0.65 O ATOM 0 H ASP A 106 12.521 -1.629 -9.932 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.878 -2.388 -9.197 1.00 0.36 H new ATOM 0 HB2 ASP A 106 10.437 -1.970 -11.441 1.00 0.06 H new ATOM 0 HB3 ASP A 106 11.895 -2.939 -11.365 1.00 0.06 H new ATOM 1657 N GLY A 107 12.124 -4.788 -8.904 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.366 -6.115 -8.361 1.00 0.36 C ATOM 1659 C GLY A 107 13.505 -6.784 -9.117 1.00 0.57 C ATOM 1660 O GLY A 107 13.301 -7.836 -9.722 1.00 -0.57 O ATOM 0 H GLY A 107 12.932 -4.389 -9.383 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.613 -6.045 -7.302 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.462 -6.719 -8.438 1.00 0.36 H new ATOM 1664 N SER A 108 14.670 -6.127 -9.145 1.00 -0.73 N ATOM 1665 CA SER A 108 15.893 -6.675 -9.706 1.00 0.36 C ATOM 1666 C SER A 108 17.089 -5.991 -9.036 1.00 0.57 C ATOM 1667 O SER A 108 16.950 -4.918 -8.432 1.00 -0.57 O ATOM 1668 CB SER A 108 15.907 -6.464 -11.228 1.00 0.28 C ATOM 1669 OG SER A 108 16.977 -7.168 -11.835 1.00 -0.68 O ATOM 0 H SER A 108 14.783 -5.185 -8.770 1.00 -0.73 H new ATOM 0 HA SER A 108 15.951 -7.747 -9.520 1.00 0.36 H new ATOM 0 HB2 SER A 108 14.961 -6.799 -11.653 1.00 0.28 H new ATOM 0 HB3 SER A 108 15.997 -5.400 -11.449 1.00 0.28 H new ATOM 0 HG SER A 108 16.960 -7.017 -12.803 1.00 -0.68 H new ATOM 1675 N SER A 109 18.263 -6.610 -9.204 1.00 -0.73 N ATOM 1676 CA SER A 109 19.561 -6.213 -8.669 1.00 0.36 C ATOM 1677 C SER A 109 19.585 -6.193 -7.138 1.00 0.57 C ATOM 1678 O SER A 109 20.158 -7.101 -6.543 1.00 -0.57 O ATOM 1679 CB SER A 109 20.032 -4.888 -9.307 1.00 0.28 C ATOM 1680 OG SER A 109 21.093 -5.108 -10.215 1.00 -0.68 O ATOM 0 H SER A 109 18.331 -7.463 -9.759 1.00 -0.73 H new ATOM 0 HA SER A 109 20.286 -6.977 -8.949 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.198 -4.414 -9.825 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.355 -4.199 -8.526 1.00 0.28 H new ATOM 0 HG SER A 109 21.371 -4.254 -10.606 1.00 -0.68 H new ATOM 1686 N LEU A 110 19.007 -5.161 -6.512 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.990 -4.895 -5.076 1.00 0.36 C ATOM 1688 C LEU A 110 18.177 -3.613 -4.858 1.00 0.57 C ATOM 1689 O LEU A 110 17.827 -2.927 -5.820 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.426 -4.724 -4.522 1.00 0.00 C ATOM 1691 CG LEU A 110 20.856 -5.879 -3.595 1.00 0.00 C ATOM 1692 CD1 LEU A 110 22.365 -5.793 -3.332 1.00 0.00 C ATOM 1693 CD2 LEU A 110 20.093 -5.863 -2.261 1.00 0.00 C ATOM 0 H LEU A 110 18.506 -4.443 -7.035 1.00 -0.73 H new ATOM 0 HA LEU A 110 18.541 -5.734 -4.545 1.00 0.36 H new ATOM 0 HB2 LEU A 110 21.125 -4.655 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.489 -3.784 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 110 20.617 -6.816 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 110 22.667 -6.610 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 110 22.904 -5.867 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.598 -4.841 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.428 -6.694 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.285 -4.923 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.024 -5.961 -2.452 1.00 0.00 H new ATOM 1705 N GLY A 111 17.897 -3.282 -3.593 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.147 -2.097 -3.210 1.00 0.36 C ATOM 1707 C GLY A 111 15.937 -2.483 -2.364 1.00 0.57 C ATOM 1708 O GLY A 111 15.966 -3.466 -1.608 1.00 -0.57 O ATOM 0 H GLY A 111 18.194 -3.846 -2.797 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.789 -1.418 -2.649 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.820 -1.562 -4.102 1.00 0.36 H new ATOM 1712 N ILE A 112 14.870 -1.698 -2.528 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.559 -1.932 -1.950 1.00 0.36 C ATOM 1714 C ILE A 112 12.547 -2.151 -3.076 1.00 0.57 C ATOM 1715 O ILE A 112 12.367 -1.298 -3.950 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.155 -0.811 -0.975 1.00 0.00 C ATOM 1717 CG1 ILE A 112 13.205 0.574 -1.642 1.00 0.00 C ATOM 1718 CG2 ILE A 112 14.053 -0.874 0.272 1.00 0.00 C ATOM 1719 CD1 ILE A 112 12.851 1.724 -0.710 1.00 0.00 C ATOM 0 H ILE A 112 14.905 -0.849 -3.092 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.584 -2.837 -1.343 1.00 0.36 H new ATOM 0 HB ILE A 112 12.119 -0.966 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 112 14.206 0.738 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.519 0.583 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 112 13.770 -0.082 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.932 -1.842 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 112 15.094 -0.743 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 112 12.910 2.666 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.838 1.587 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.551 1.744 0.125 1.00 0.00 H new ATOM 1731 N ASN A 113 11.933 -3.338 -3.066 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.960 -3.735 -4.071 1.00 0.36 C ATOM 1733 C ASN A 113 9.755 -2.781 -4.028 1.00 0.57 C ATOM 1734 O ASN A 113 9.036 -2.705 -3.027 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.564 -5.201 -3.849 1.00 0.06 C ATOM 1736 CG ASN A 113 9.675 -5.697 -4.984 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.732 -5.026 -5.354 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.925 -6.857 -5.561 1.00 -0.80 N ATOM 0 H ASN A 113 12.102 -4.049 -2.355 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.391 -3.664 -5.070 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.460 -5.819 -3.785 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.039 -5.301 -2.899 1.00 0.06 H new ATOM 0 HD21 ASN A 113 9.327 -7.190 -6.317 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.716 -7.421 -5.251 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.529 -2.071 -5.133 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.440 -1.128 -5.317 1.00 0.36 C ATOM 1747 C PHE A 114 7.097 -1.832 -5.241 1.00 0.57 C ATOM 1748 O PHE A 114 6.170 -1.285 -4.658 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.566 -0.446 -6.684 1.00 0.14 C ATOM 1750 CG PHE A 114 7.752 0.832 -6.805 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.342 0.835 -6.784 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 8.440 2.052 -6.866 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.640 2.051 -6.748 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 7.745 3.266 -6.823 1.00 -0.15 C ATOM 1755 CZ PHE A 114 6.346 3.264 -6.764 1.00 -0.15 C ATOM 0 H PHE A 114 10.128 -2.144 -5.955 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.498 -0.385 -4.522 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.615 -0.217 -6.871 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.249 -1.144 -7.459 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.801 -0.100 -6.796 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 9.517 2.055 -6.947 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 4.561 2.053 -6.708 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 8.286 4.201 -6.835 1.00 -0.15 H new ATOM 0 HZ PHE A 114 5.808 4.200 -6.731 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.974 -3.032 -5.816 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.760 -3.830 -5.738 1.00 0.36 C ATOM 1767 C LEU A 115 5.428 -4.049 -4.256 1.00 0.57 C ATOM 1768 O LEU A 115 4.269 -3.908 -3.874 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.956 -5.170 -6.490 1.00 0.00 C ATOM 1770 CG LEU A 115 4.717 -5.892 -7.071 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.434 -5.691 -6.271 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.456 -5.504 -8.527 1.00 0.00 C ATOM 0 H LEU A 115 7.722 -3.474 -6.350 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.926 -3.316 -6.216 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.647 -4.987 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.450 -5.861 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 115 4.979 -6.948 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.618 -6.232 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.574 -6.068 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.192 -4.629 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.577 -6.035 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.284 -4.430 -8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.320 -5.771 -9.135 1.00 0.00 H new ATOM 1784 N TYR A 116 6.424 -4.353 -3.401 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.180 -4.524 -1.962 1.00 0.36 C ATOM 1786 C TYR A 116 5.759 -3.208 -1.348 1.00 0.57 C ATOM 1787 O TYR A 116 4.755 -3.182 -0.647 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.390 -5.119 -1.234 1.00 0.14 C ATOM 1789 CG TYR A 116 7.189 -5.369 0.260 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 7.307 -4.311 1.187 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 6.940 -6.673 0.734 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 7.183 -4.549 2.571 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 6.886 -6.929 2.117 1.00 -0.15 C ATOM 1794 CZ TYR A 116 6.999 -5.867 3.046 1.00 0.08 C ATOM 1795 OH TYR A 116 6.961 -6.127 4.385 1.00 -0.53 O ATOM 0 H TYR A 116 7.396 -4.484 -3.682 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.368 -5.242 -1.844 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.654 -6.062 -1.712 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.239 -4.447 -1.363 1.00 0.14 H new ATOM 0 HD1 TYR A 116 7.494 -3.308 0.832 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 6.790 -7.480 0.032 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 7.229 -3.725 3.267 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 6.758 -7.941 2.471 1.00 -0.15 H new ATOM 0 HH TYR A 116 6.494 -6.974 4.541 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.481 -2.124 -1.643 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.135 -0.809 -1.132 1.00 0.36 C ATOM 1807 C ALA A 117 4.697 -0.452 -1.499 1.00 0.57 C ATOM 1808 O ALA A 117 3.905 -0.103 -0.631 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.115 0.216 -1.695 1.00 0.00 C ATOM 0 H ALA A 117 7.311 -2.139 -2.236 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.205 -0.809 -0.044 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.863 1.207 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.128 -0.043 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.055 0.217 -2.783 1.00 0.00 H new ATOM 1815 N ALA A 118 4.337 -0.600 -2.774 1.00 -0.73 N ATOM 1816 CA ALA A 118 3.007 -0.312 -3.257 1.00 0.36 C ATOM 1817 C ALA A 118 2.000 -1.228 -2.570 1.00 0.57 C ATOM 1818 O ALA A 118 1.129 -0.711 -1.890 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.959 -0.431 -4.781 1.00 0.00 C ATOM 0 H ALA A 118 4.975 -0.927 -3.500 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.739 0.715 -3.010 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.951 -0.211 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.659 0.277 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.233 -1.444 -5.076 1.00 0.00 H new ATOM 1825 N THR A 119 2.126 -2.556 -2.661 1.00 -0.73 N ATOM 1826 CA THR A 119 1.174 -3.484 -2.047 1.00 0.36 C ATOM 1827 C THR A 119 1.032 -3.223 -0.540 1.00 0.57 C ATOM 1828 O THR A 119 -0.085 -3.272 -0.027 1.00 -0.57 O ATOM 1829 CB THR A 119 1.608 -4.928 -2.353 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.659 -5.115 -3.746 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.643 -6.002 -1.859 1.00 0.00 C ATOM 0 H THR A 119 2.888 -3.015 -3.160 1.00 -0.73 H new ATOM 0 HA THR A 119 0.184 -3.325 -2.475 1.00 0.36 H new ATOM 0 HB THR A 119 2.565 -5.039 -1.843 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.445 -4.655 -4.109 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.031 -6.987 -2.119 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.539 -5.927 -0.777 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.331 -5.860 -2.328 1.00 0.00 H new ATOM 1839 N HIS A 120 2.126 -2.882 0.153 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.125 -2.483 1.557 1.00 0.36 C ATOM 1841 C HIS A 120 1.255 -1.236 1.761 1.00 0.57 C ATOM 1842 O HIS A 120 0.319 -1.240 2.557 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.590 -2.310 2.019 1.00 0.17 C ATOM 1844 CG HIS A 120 3.777 -2.040 3.488 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.477 -2.830 4.381 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 3.195 -1.033 4.200 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.265 -2.334 5.616 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.474 -1.252 5.527 1.00 -0.70 N ATOM 0 H HIS A 120 3.058 -2.877 -0.262 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.674 -3.253 2.183 1.00 0.36 H new ATOM 0 HB2 HIS A 120 4.144 -3.212 1.760 1.00 0.17 H new ATOM 0 HB3 HIS A 120 4.036 -1.490 1.457 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.050 -3.641 4.147 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.620 -0.213 3.795 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.667 -2.742 6.532 1.00 0.65 H new ATOM 1857 N GLU A 121 1.562 -0.155 1.053 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.938 1.142 1.280 1.00 0.36 C ATOM 1859 C GLU A 121 -0.509 1.157 0.779 1.00 0.57 C ATOM 1860 O GLU A 121 -1.415 1.606 1.482 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.793 2.195 0.563 1.00 0.00 C ATOM 1862 CG GLU A 121 3.200 2.288 1.181 1.00 0.06 C ATOM 1863 CD GLU A 121 3.135 2.859 2.580 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.019 2.079 3.511 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.174 4.184 2.686 1.00 -0.65 O ATOM 0 H GLU A 121 2.253 -0.154 0.303 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.892 1.360 2.347 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.874 1.943 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.302 3.167 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.656 1.299 1.208 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.836 2.915 0.556 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.732 0.612 -0.417 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.038 0.474 -1.045 1.00 0.36 C ATOM 1875 C LEU A 122 -2.914 -0.518 -0.278 1.00 0.57 C ATOM 1876 O LEU A 122 -4.136 -0.375 -0.262 1.00 -0.57 O ATOM 1877 CB LEU A 122 -1.891 0.009 -2.506 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.527 1.093 -3.547 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -2.702 2.053 -3.745 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.279 1.939 -3.266 1.00 0.00 C ATOM 0 H LEU A 122 0.024 0.242 -0.994 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.518 1.452 -1.027 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.126 -0.767 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -2.829 -0.455 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.295 0.508 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.432 2.811 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.570 1.497 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.941 2.536 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.138 2.659 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.405 2.470 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.594 1.290 -3.203 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.314 -1.505 0.390 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.047 -2.361 1.299 1.00 0.36 C ATOM 1894 C GLY A 123 -3.725 -1.535 2.380 1.00 0.57 C ATOM 1895 O GLY A 123 -4.931 -1.670 2.607 1.00 -0.57 O ATOM 0 H GLY A 123 -1.321 -1.724 0.312 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.794 -2.932 0.747 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.369 -3.082 1.756 1.00 0.36 H new ATOM 1899 N HIS A 124 -2.980 -0.604 2.984 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.566 0.285 3.970 1.00 0.36 C ATOM 1901 C HIS A 124 -4.524 1.287 3.343 1.00 0.57 C ATOM 1902 O HIS A 124 -5.548 1.581 3.962 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.499 1.018 4.776 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.536 0.097 5.472 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.848 -0.946 6.316 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.176 0.135 5.359 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.694 -1.493 6.724 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.358 -0.862 6.179 1.00 -0.70 N ATOM 0 H HIS A 124 -1.987 -0.454 2.806 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.137 -0.349 4.648 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.942 1.678 4.111 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.986 1.650 5.518 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.389 0.818 4.742 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.620 -2.331 7.402 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.345 -1.068 6.332 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.226 1.780 2.133 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.123 2.680 1.421 1.00 0.36 C ATOM 1919 C SER A 125 -6.501 2.039 1.209 1.00 0.57 C ATOM 1920 O SER A 125 -7.518 2.731 1.246 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.489 3.151 0.105 1.00 0.28 C ATOM 1922 OG SER A 125 -4.808 2.342 -1.006 1.00 -0.68 O ATOM 0 H SER A 125 -3.365 1.565 1.631 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.282 3.565 2.037 1.00 0.36 H new ATOM 0 HB2 SER A 125 -4.812 4.172 -0.097 1.00 0.28 H new ATOM 0 HB3 SER A 125 -3.406 3.177 0.224 1.00 0.28 H new ATOM 0 HG SER A 125 -4.656 1.401 -0.780 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.551 0.711 1.018 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.806 -0.008 0.855 1.00 0.36 C ATOM 1930 C LEU A 126 -8.641 -0.027 2.138 1.00 0.57 C ATOM 1931 O LEU A 126 -9.871 0.029 2.066 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.551 -1.454 0.378 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.190 -1.826 -0.972 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.600 -1.261 -1.200 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -7.297 -1.403 -2.143 1.00 0.00 C ATOM 0 H LEU A 126 -5.723 0.117 0.974 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.376 0.530 0.097 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.475 -1.611 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.923 -2.140 1.138 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.288 -2.911 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.965 -1.577 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.270 -1.632 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.567 -0.172 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.775 -1.679 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.147 -0.324 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.333 -1.905 -2.065 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.987 -0.125 3.302 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.678 -0.255 4.575 1.00 0.36 C ATOM 1949 C GLY A 127 -7.790 -0.774 5.688 1.00 0.57 C ATOM 1950 O GLY A 127 -8.214 -1.691 6.382 1.00 -0.57 O ATOM 0 H GLY A 127 -6.970 -0.116 3.380 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.080 0.716 4.863 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.527 -0.928 4.453 1.00 0.36 H new ATOM 1954 N MET A 128 -6.606 -0.178 5.881 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.595 -0.614 6.846 1.00 0.36 C ATOM 1956 C MET A 128 -5.317 -2.126 6.748 1.00 0.57 C ATOM 1957 O MET A 128 -5.532 -2.733 5.704 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.909 -0.084 8.260 1.00 0.00 C ATOM 1959 CG MET A 128 -6.949 -0.875 9.079 1.00 0.23 C ATOM 1960 SD MET A 128 -8.363 0.028 9.776 1.00 -0.46 S ATOM 1961 CE MET A 128 -9.055 0.832 8.312 1.00 0.23 C ATOM 0 H MET A 128 -6.319 0.646 5.352 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.639 -0.159 6.586 1.00 0.36 H new ATOM 0 HB2 MET A 128 -4.979 -0.056 8.827 1.00 0.00 H new ATOM 0 HB3 MET A 128 -6.258 0.944 8.169 1.00 0.00 H new ATOM 0 HG2 MET A 128 -7.342 -1.667 8.441 1.00 0.23 H new ATOM 0 HG3 MET A 128 -6.425 -1.359 9.903 1.00 0.23 H new ATOM 0 HE1 MET A 128 -9.787 1.579 8.619 1.00 0.23 H new ATOM 0 HE2 MET A 128 -8.256 1.316 7.751 1.00 0.23 H new ATOM 0 HE3 MET A 128 -9.540 0.086 7.682 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.771 -2.719 7.815 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.571 -4.160 7.911 1.00 0.36 C ATOM 1973 C GLY A 129 -3.100 -4.442 8.139 1.00 0.57 C ATOM 1974 O GLY A 129 -2.442 -4.988 7.264 1.00 -0.57 O ATOM 0 H GLY A 129 -4.455 -2.206 8.638 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -5.163 -4.568 8.730 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.910 -4.648 6.998 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.559 -3.968 9.267 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.195 -4.299 9.651 1.00 0.36 C ATOM 1980 C HIS A 130 -1.161 -5.697 10.273 1.00 0.57 C ATOM 1981 O HIS A 130 -2.193 -6.278 10.617 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.642 -3.239 10.626 1.00 0.17 C ATOM 1983 CG HIS A 130 0.385 -2.315 10.020 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.502 -0.967 10.273 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.424 -2.660 9.193 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.582 -0.516 9.614 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.171 -1.512 8.933 1.00 -0.70 N ATOM 0 H HIS A 130 -3.047 -3.358 9.922 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.559 -4.300 8.766 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.472 -2.642 11.005 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.197 -3.746 11.482 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.628 -3.649 8.810 1.00 0.20 H new ATOM 0 HE1 HIS A 130 1.929 0.507 9.630 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.000 -1.443 8.343 1.00 -0.70 H new ATOM 1996 N SER A 131 0.056 -6.205 10.469 1.00 -0.73 N ATOM 1997 CA SER A 131 0.326 -7.469 11.119 1.00 0.36 C ATOM 1998 C SER A 131 1.761 -7.427 11.653 1.00 0.57 C ATOM 1999 O SER A 131 2.477 -6.436 11.484 1.00 -0.57 O ATOM 2000 CB SER A 131 0.121 -8.593 10.099 1.00 0.28 C ATOM 2001 OG SER A 131 0.104 -9.874 10.702 1.00 -0.68 O ATOM 0 H SER A 131 0.903 -5.725 10.166 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.347 -7.652 11.956 1.00 0.36 H new ATOM 0 HB2 SER A 131 -0.818 -8.432 9.569 1.00 0.28 H new ATOM 0 HB3 SER A 131 0.917 -8.555 9.356 1.00 0.28 H new ATOM 0 HG SER A 131 -0.188 -10.541 10.046 1.00 -0.68 H new ATOM 2007 N SER A 132 2.173 -8.526 12.286 1.00 -0.73 N ATOM 2008 CA SER A 132 3.481 -8.696 12.884 1.00 0.36 C ATOM 2009 C SER A 132 3.878 -10.163 12.671 1.00 0.57 C ATOM 2010 O SER A 132 3.725 -10.988 13.567 1.00 -0.57 O ATOM 2011 CB SER A 132 3.440 -8.264 14.360 1.00 0.28 C ATOM 2012 OG SER A 132 4.708 -7.787 14.769 1.00 -0.68 O ATOM 0 H SER A 132 1.577 -9.347 12.396 1.00 -0.73 H new ATOM 0 HA SER A 132 4.240 -8.065 12.423 1.00 0.36 H new ATOM 0 HB2 SER A 132 2.690 -7.485 14.497 1.00 0.28 H new ATOM 0 HB3 SER A 132 3.143 -9.107 14.984 1.00 0.28 H new ATOM 0 HG SER A 132 4.667 -7.514 15.709 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.323 -10.493 11.454 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.667 -11.851 11.023 1.00 0.36 C ATOM 2020 C ASP A 133 6.048 -11.762 10.358 1.00 0.57 C ATOM 2021 O ASP A 133 6.308 -10.751 9.701 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.615 -12.363 10.016 1.00 0.06 C ATOM 2023 CG ASP A 133 3.366 -13.870 10.093 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.705 -14.538 9.130 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 2.787 -14.345 11.192 1.00 -0.65 O ATOM 0 H ASP A 133 4.458 -9.799 10.718 1.00 -0.73 H new ATOM 0 HA ASP A 133 4.685 -12.545 11.864 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.675 -11.840 10.190 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.939 -12.109 9.007 1.00 0.06 H new ATOM 2031 N PRO A 134 6.927 -12.779 10.465 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.307 -12.669 9.991 1.00 0.36 C ATOM 2033 C PRO A 134 8.389 -12.441 8.478 1.00 0.57 C ATOM 2034 O PRO A 134 9.329 -11.801 8.002 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.003 -13.966 10.414 1.00 0.00 C ATOM 2036 CG PRO A 134 7.877 -14.963 10.693 1.00 0.00 C ATOM 2037 CD PRO A 134 6.639 -14.113 10.961 1.00 0.30 C ATOM 0 HA PRO A 134 8.797 -11.798 10.427 1.00 0.36 H new ATOM 0 HB2 PRO A 134 9.664 -14.331 9.628 1.00 0.00 H new ATOM 0 HB3 PRO A 134 9.618 -13.810 11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 134 7.721 -15.627 9.843 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.114 -15.593 11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 134 5.767 -14.532 10.459 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.411 -14.088 12.027 1.00 0.30 H new ATOM 2045 N ASN A 135 7.364 -12.909 7.754 1.00 -0.73 N ATOM 2046 CA ASN A 135 7.240 -12.821 6.308 1.00 0.36 C ATOM 2047 C ASN A 135 5.911 -12.143 5.943 1.00 0.57 C ATOM 2048 O ASN A 135 5.326 -12.464 4.904 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.371 -14.221 5.671 1.00 0.06 C ATOM 2050 CG ASN A 135 8.689 -14.951 5.935 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.679 -14.383 6.378 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 8.732 -16.245 5.657 1.00 -0.80 N ATOM 0 H ASN A 135 6.568 -13.378 8.187 1.00 -0.73 H new ATOM 0 HA ASN A 135 8.048 -12.209 5.908 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.553 -14.843 6.035 1.00 0.06 H new ATOM 0 HB3 ASN A 135 7.241 -14.123 4.593 1.00 0.06 H new ATOM 0 HD21 ASN A 135 9.592 -16.772 5.812 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 7.905 -16.715 5.288 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.395 -11.247 6.802 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.225 -10.445 6.462 1.00 0.36 C ATOM 2061 C ALA A 136 4.555 -9.566 5.252 1.00 0.57 C ATOM 2062 O ALA A 136 5.551 -8.846 5.234 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.747 -9.612 7.662 1.00 0.00 C ATOM 0 H ALA A 136 5.774 -11.066 7.732 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.399 -11.107 6.200 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.874 -9.027 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.483 -10.277 8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.545 -8.941 7.980 1.00 0.00 H new ATOM 2069 N VAL A 137 3.695 -9.605 4.237 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.767 -8.749 3.054 1.00 0.36 C ATOM 2071 C VAL A 137 3.535 -7.265 3.410 1.00 0.57 C ATOM 2072 O VAL A 137 3.929 -6.367 2.668 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.786 -9.317 2.017 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.347 -9.347 2.518 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.833 -8.603 0.665 1.00 0.00 C ATOM 0 H VAL A 137 2.906 -10.251 4.214 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.766 -8.756 2.619 1.00 0.36 H new ATOM 0 HB VAL A 137 3.130 -10.340 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.700 -9.758 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.285 -9.970 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.025 -8.334 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.113 -9.061 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.585 -7.550 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.834 -8.689 0.243 1.00 0.00 H new ATOM 2085 N MET A 138 2.966 -7.000 4.586 1.00 -0.73 N ATOM 2086 CA MET A 138 2.778 -5.690 5.171 1.00 0.36 C ATOM 2087 C MET A 138 3.634 -5.544 6.441 1.00 0.57 C ATOM 2088 O MET A 138 3.315 -4.705 7.282 1.00 -0.57 O ATOM 2089 CB MET A 138 1.271 -5.444 5.425 1.00 0.00 C ATOM 2090 CG MET A 138 0.795 -4.103 4.861 1.00 0.23 C ATOM 2091 SD MET A 138 -0.483 -4.202 3.579 1.00 -0.46 S ATOM 2092 CE MET A 138 0.242 -5.434 2.460 1.00 0.23 C ATOM 0 H MET A 138 2.606 -7.744 5.184 1.00 -0.73 H new ATOM 0 HA MET A 138 3.118 -4.920 4.479 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.693 -6.250 4.974 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.077 -5.474 6.497 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.413 -3.498 5.684 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.656 -3.576 4.451 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.170 -5.304 1.459 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.324 -5.304 2.427 1.00 0.23 H new ATOM 0 HE3 MET A 138 0.008 -6.436 2.821 1.00 0.23 H new ATOM 2102 N TYR A 139 4.717 -6.324 6.616 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.532 -6.250 7.832 1.00 0.36 C ATOM 2104 C TYR A 139 6.135 -4.844 7.985 1.00 0.57 C ATOM 2105 O TYR A 139 6.838 -4.404 7.062 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.663 -7.300 7.838 1.00 0.14 C ATOM 2107 CG TYR A 139 7.280 -7.618 9.195 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 6.486 -7.709 10.361 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.654 -7.920 9.277 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 7.065 -8.030 11.602 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 9.237 -8.263 10.510 1.00 -0.15 C ATOM 2112 CZ TYR A 139 8.445 -8.311 11.681 1.00 0.08 C ATOM 2113 OH TYR A 139 9.013 -8.628 12.880 1.00 -0.53 O ATOM 0 H TYR A 139 5.042 -7.007 5.932 1.00 -0.73 H new ATOM 0 HA TYR A 139 4.873 -6.463 8.673 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.273 -8.225 7.414 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.455 -6.954 7.174 1.00 0.14 H new ATOM 0 HD1 TYR A 139 5.423 -7.530 10.298 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.264 -7.888 8.386 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 6.454 -8.061 12.492 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.292 -8.490 10.563 1.00 -0.15 H new ATOM 0 HH TYR A 139 9.971 -8.793 12.755 1.00 -0.53 H new ATOM 2123 N PRO A 140 5.910 -4.138 9.113 1.00 -0.66 N ATOM 2124 CA PRO A 140 6.461 -2.810 9.361 1.00 0.36 C ATOM 2125 C PRO A 140 7.953 -2.849 9.752 1.00 0.57 C ATOM 2126 O PRO A 140 8.357 -2.221 10.728 1.00 -0.57 O ATOM 2127 CB PRO A 140 5.532 -2.176 10.410 1.00 0.00 C ATOM 2128 CG PRO A 140 4.965 -3.358 11.188 1.00 0.00 C ATOM 2129 CD PRO A 140 4.991 -4.507 10.186 1.00 0.30 C ATOM 0 HA PRO A 140 6.478 -2.195 8.461 1.00 0.36 H new ATOM 0 HB2 PRO A 140 6.078 -1.497 11.064 1.00 0.00 H new ATOM 0 HB3 PRO A 140 4.739 -1.595 9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 140 5.568 -3.582 12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 140 3.953 -3.157 11.538 1.00 0.00 H new ATOM 0 HD2 PRO A 140 5.317 -5.428 10.669 1.00 0.30 H new ATOM 0 HD3 PRO A 140 3.993 -4.691 9.789 1.00 0.30 H new ATOM 2137 N THR A 141 8.759 -3.592 8.980 1.00 -0.73 N ATOM 2138 CA THR A 141 10.203 -3.756 9.167 1.00 0.36 C ATOM 2139 C THR A 141 10.899 -3.955 7.811 1.00 0.57 C ATOM 2140 O THR A 141 11.885 -3.267 7.575 1.00 -0.57 O ATOM 2141 CB THR A 141 10.466 -4.918 10.154 1.00 0.28 C ATOM 2142 OG1 THR A 141 10.277 -4.469 11.480 1.00 -0.68 O ATOM 2143 CG2 THR A 141 11.863 -5.547 10.071 1.00 0.00 C ATOM 0 H THR A 141 8.407 -4.114 8.178 1.00 -0.73 H new ATOM 0 HA THR A 141 10.629 -2.853 9.604 1.00 0.36 H new ATOM 0 HB THR A 141 9.754 -5.691 9.865 1.00 0.28 H new ATOM 0 HG1 THR A 141 9.726 -3.658 11.476 1.00 -0.68 H new ATOM 0 HG21 THR A 141 11.944 -6.351 10.803 1.00 0.00 H new ATOM 0 HG22 THR A 141 12.022 -5.950 9.071 1.00 0.00 H new ATOM 0 HG23 THR A 141 12.617 -4.788 10.280 1.00 0.00 H new ATOM 2151 N TYR A 142 10.366 -4.812 6.914 1.00 -0.73 N ATOM 2152 CA TYR A 142 10.963 -5.185 5.618 1.00 0.36 C ATOM 2153 C TYR A 142 12.387 -5.770 5.774 1.00 0.57 C ATOM 2154 O TYR A 142 13.367 -5.030 5.841 1.00 -0.57 O ATOM 2155 CB TYR A 142 10.874 -3.994 4.636 1.00 0.14 C ATOM 2156 CG TYR A 142 11.479 -4.222 3.260 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 12.837 -3.933 3.021 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 10.685 -4.703 2.204 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 13.412 -4.188 1.763 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 11.232 -4.892 0.925 1.00 -0.15 C ATOM 2161 CZ TYR A 142 12.609 -4.676 0.706 1.00 0.08 C ATOM 2162 OH TYR A 142 13.152 -4.944 -0.519 1.00 -0.53 O ATOM 0 H TYR A 142 9.475 -5.279 7.081 1.00 -0.73 H new ATOM 0 HA TYR A 142 10.385 -6.000 5.183 1.00 0.36 H new ATOM 0 HB2 TYR A 142 9.824 -3.729 4.511 1.00 0.14 H new ATOM 0 HB3 TYR A 142 11.368 -3.135 5.091 1.00 0.14 H new ATOM 0 HD1 TYR A 142 13.442 -3.512 3.811 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 9.644 -4.929 2.379 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 14.466 -4.011 1.604 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 10.598 -5.203 0.108 1.00 -0.15 H new ATOM 0 HH TYR A 142 13.458 -5.875 -0.545 1.00 -0.53 H new ATOM 2172 N GLY A 143 12.529 -7.107 5.833 1.00 -0.73 N ATOM 2173 CA GLY A 143 13.854 -7.706 6.015 1.00 0.36 C ATOM 2174 C GLY A 143 13.945 -9.206 5.747 1.00 0.57 C ATOM 2175 O GLY A 143 14.542 -9.601 4.747 1.00 -0.57 O ATOM 0 H GLY A 143 11.761 -7.774 5.759 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.557 -7.195 5.357 1.00 0.36 H new ATOM 0 HA3 GLY A 143 14.180 -7.518 7.038 1.00 0.36 H new ATOM 2179 N ASN A 144 13.418 -10.049 6.645 1.00 -0.73 N ATOM 2180 CA ASN A 144 13.416 -11.508 6.454 1.00 0.36 C ATOM 2181 C ASN A 144 12.375 -11.958 5.439 1.00 0.57 C ATOM 2182 O ASN A 144 12.632 -12.899 4.689 1.00 -0.57 O ATOM 2183 CB ASN A 144 13.161 -12.245 7.781 1.00 0.06 C ATOM 2184 CG ASN A 144 14.439 -12.842 8.335 1.00 0.57 C ATOM 2185 OD1 ASN A 144 15.269 -13.352 7.588 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 14.649 -12.774 9.639 1.00 -0.80 N ATOM 0 H ASN A 144 12.985 -9.744 7.517 1.00 -0.73 H new ATOM 0 HA ASN A 144 14.406 -11.761 6.075 1.00 0.36 H new ATOM 0 HB2 ASN A 144 12.736 -11.553 8.508 1.00 0.06 H new ATOM 0 HB3 ASN A 144 12.426 -13.035 7.625 1.00 0.06 H new ATOM 0 HD21 ASN A 144 15.510 -13.148 10.037 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 13.950 -12.347 10.247 1.00 -0.80 H new ATOM 2193 N GLY A 145 11.228 -11.275 5.421 1.00 -0.73 N ATOM 2194 CA GLY A 145 10.205 -11.490 4.419 1.00 0.36 C ATOM 2195 C GLY A 145 10.786 -11.340 3.020 1.00 0.57 C ATOM 2196 O GLY A 145 11.741 -10.593 2.805 1.00 -0.57 O ATOM 0 H GLY A 145 10.991 -10.558 6.106 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 9.777 -12.486 4.536 1.00 0.36 H new ATOM 0 HA3 GLY A 145 9.394 -10.776 4.560 1.00 0.36 H new ATOM 2200 N ASP A 146 10.172 -12.043 2.072 1.00 -0.73 N ATOM 2201 CA ASP A 146 10.601 -12.086 0.691 1.00 0.36 C ATOM 2202 C ASP A 146 9.631 -11.220 -0.119 1.00 0.57 C ATOM 2203 O ASP A 146 8.476 -11.611 -0.323 1.00 -0.57 O ATOM 2204 CB ASP A 146 10.635 -13.534 0.210 1.00 0.06 C ATOM 2205 CG ASP A 146 10.921 -13.566 -1.281 1.00 0.66 C ATOM 2206 OD1 ASP A 146 9.953 -13.558 -2.024 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 12.183 -13.665 -1.688 1.00 -0.65 O ATOM 0 H ASP A 146 9.344 -12.609 2.255 1.00 -0.73 H new ATOM 0 HA ASP A 146 11.610 -11.693 0.568 1.00 0.36 H new ATOM 0 HB2 ASP A 146 11.401 -14.090 0.750 1.00 0.06 H new ATOM 0 HB3 ASP A 146 9.682 -14.020 0.419 1.00 0.06 H new ATOM 2213 N PRO A 147 10.049 -10.017 -0.543 1.00 -0.66 N ATOM 2214 CA PRO A 147 9.221 -9.104 -1.306 1.00 0.36 C ATOM 2215 C PRO A 147 9.231 -9.504 -2.791 1.00 0.57 C ATOM 2216 O PRO A 147 9.649 -8.724 -3.646 1.00 -0.57 O ATOM 2217 CB PRO A 147 9.820 -7.730 -1.005 1.00 0.00 C ATOM 2218 CG PRO A 147 11.309 -7.995 -0.829 1.00 0.00 C ATOM 2219 CD PRO A 147 11.343 -9.407 -0.265 1.00 0.30 C ATOM 0 HA PRO A 147 8.164 -9.114 -1.042 1.00 0.36 H new ATOM 0 HB2 PRO A 147 9.635 -7.029 -1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 147 9.385 -7.296 -0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 147 11.845 -7.926 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.769 -7.278 -0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.146 -9.984 -0.723 1.00 0.30 H new ATOM 0 HD3 PRO A 147 11.536 -9.388 0.808 1.00 0.30 H new ATOM 2227 N GLN A 148 8.833 -10.744 -3.105 1.00 -0.73 N ATOM 2228 CA GLN A 148 8.708 -11.222 -4.484 1.00 0.36 C ATOM 2229 C GLN A 148 7.670 -12.344 -4.570 1.00 0.57 C ATOM 2230 O GLN A 148 6.747 -12.271 -5.385 1.00 -0.57 O ATOM 2231 CB GLN A 148 10.093 -11.672 -4.998 1.00 0.00 C ATOM 2232 CG GLN A 148 10.148 -11.903 -6.520 1.00 0.06 C ATOM 2233 CD GLN A 148 10.051 -13.380 -6.922 1.00 0.57 C ATOM 2234 OE1 GLN A 148 9.020 -14.021 -6.741 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 11.112 -13.932 -7.499 1.00 -0.80 N ATOM 0 H GLN A 148 8.588 -11.445 -2.405 1.00 -0.73 H new ATOM 0 HA GLN A 148 8.356 -10.413 -5.124 1.00 0.36 H new ATOM 0 HB2 GLN A 148 10.833 -10.918 -4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.377 -12.594 -4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.334 -11.353 -6.992 1.00 0.06 H new ATOM 0 HG3 GLN A 148 11.079 -11.490 -6.908 1.00 0.06 H new ATOM 0 HE21 GLN A 148 11.959 -13.382 -7.640 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 11.080 -14.906 -7.801 1.00 -0.80 H new ATOM 2244 N ASN A 149 7.759 -13.338 -3.680 1.00 -0.73 N ATOM 2245 CA ASN A 149 6.828 -14.458 -3.571 1.00 0.36 C ATOM 2246 C ASN A 149 5.530 -14.026 -2.865 1.00 0.57 C ATOM 2247 O ASN A 149 5.103 -14.686 -1.917 1.00 -0.57 O ATOM 2248 CB ASN A 149 7.481 -15.646 -2.844 1.00 0.06 C ATOM 2249 CG ASN A 149 8.715 -16.226 -3.534 1.00 0.57 C ATOM 2250 OD1 ASN A 149 9.874 -16.066 -2.930 1.00 -0.57 O flip ATOM 2251 ND2 ASN A 149 8.641 -16.849 -4.587 1.00 -0.80 N flip ATOM 0 H ASN A 149 8.511 -13.383 -2.992 1.00 -0.73 H new ATOM 0 HA ASN A 149 6.570 -14.782 -4.579 1.00 0.36 H new ATOM 0 HB2 ASN A 149 7.760 -15.329 -1.839 1.00 0.06 H new ATOM 0 HB3 ASN A 149 6.739 -16.437 -2.734 1.00 0.06 H new ATOM 0 HD21 ASN A 149 7.738 -16.967 -5.047 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 9.482 -17.249 -5.003 1.00 -0.80 H new ATOM 2258 N PHE A 150 4.913 -12.927 -3.322 1.00 -0.73 N ATOM 2259 CA PHE A 150 3.705 -12.324 -2.757 1.00 0.36 C ATOM 2260 C PHE A 150 2.656 -13.357 -2.359 1.00 0.57 C ATOM 2261 O PHE A 150 2.548 -13.714 -1.185 1.00 -0.57 O ATOM 2262 CB PHE A 150 3.104 -11.341 -3.776 1.00 0.14 C ATOM 2263 CG PHE A 150 3.710 -9.979 -3.694 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 3.216 -9.092 -2.725 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.750 -9.606 -4.559 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 3.790 -7.825 -2.592 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 5.317 -8.334 -4.432 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.834 -7.461 -3.451 1.00 -0.15 C ATOM 0 H PHE A 150 5.261 -12.414 -4.132 1.00 -0.73 H new ATOM 0 HA PHE A 150 3.998 -11.803 -1.846 1.00 0.36 H new ATOM 0 HB2 PHE A 150 3.245 -11.736 -4.782 1.00 0.14 H new ATOM 0 HB3 PHE A 150 2.029 -11.266 -3.611 1.00 0.14 H new ATOM 0 HD1 PHE A 150 2.397 -9.387 -2.086 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 5.108 -10.292 -5.313 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 3.434 -7.138 -1.839 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 6.121 -8.028 -5.085 1.00 -0.15 H new ATOM 0 HZ PHE A 150 5.278 -6.481 -3.354 1.00 -0.15 H new ATOM 2278 N LYS A 151 1.879 -13.793 -3.364 1.00 -0.73 N ATOM 2279 CA LYS A 151 0.797 -14.768 -3.308 1.00 0.36 C ATOM 2280 C LYS A 151 -0.146 -14.573 -2.099 1.00 0.57 C ATOM 2281 O LYS A 151 -0.832 -15.515 -1.724 1.00 -0.57 O ATOM 2282 CB LYS A 151 1.403 -16.184 -3.431 1.00 0.00 C ATOM 2283 CG LYS A 151 2.094 -16.503 -4.782 1.00 0.00 C ATOM 2284 CD LYS A 151 3.452 -15.816 -5.045 1.00 0.00 C ATOM 2285 CE LYS A 151 4.211 -16.466 -6.214 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.022 -15.508 -7.016 1.00 -0.85 N ATOM 0 H LYS A 151 2.009 -13.438 -4.311 1.00 -0.73 H new ATOM 0 HA LYS A 151 0.128 -14.613 -4.155 1.00 0.36 H new ATOM 0 HB2 LYS A 151 2.131 -16.319 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 151 0.610 -16.914 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 151 2.241 -17.581 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 151 1.412 -16.228 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 151 3.288 -14.760 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.063 -15.865 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 151 4.868 -17.242 -5.821 1.00 0.50 H new ATOM 0 HE3 LYS A 151 3.494 -16.958 -6.871 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.165 -15.890 -7.973 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 4.523 -14.598 -7.078 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 5.945 -15.366 -6.558 1.00 -0.85 H new ATOM 2300 N LEU A 152 -0.186 -13.347 -1.545 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.845 -12.922 -0.311 1.00 0.36 C ATOM 2302 C LEU A 152 -0.622 -13.946 0.823 1.00 0.57 C ATOM 2303 O LEU A 152 -1.395 -14.884 0.962 1.00 -0.57 O ATOM 2304 CB LEU A 152 -2.324 -12.572 -0.602 1.00 0.00 C ATOM 2305 CG LEU A 152 -2.504 -11.340 -1.531 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -2.625 -11.755 -3.001 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.745 -10.497 -1.192 1.00 0.00 C ATOM 0 H LEU A 152 0.287 -12.564 -1.996 1.00 -0.73 H new ATOM 0 HA LEU A 152 -0.391 -12.005 0.064 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -2.809 -13.434 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.835 -12.382 0.342 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.609 -10.740 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -2.750 -10.867 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.723 -12.286 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -3.489 -12.408 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.810 -9.653 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.640 -11.112 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.666 -10.127 -0.170 1.00 0.00 H new ATOM 2319 N SER A 153 0.449 -13.786 1.623 1.00 -0.73 N ATOM 2320 CA SER A 153 0.917 -14.768 2.621 1.00 0.36 C ATOM 2321 C SER A 153 -0.146 -15.175 3.665 1.00 0.57 C ATOM 2322 O SER A 153 -0.843 -16.172 3.478 1.00 -0.57 O ATOM 2323 CB SER A 153 2.220 -14.251 3.265 1.00 0.28 C ATOM 2324 OG SER A 153 2.685 -15.106 4.290 1.00 -0.68 O ATOM 0 H SER A 153 1.029 -12.947 1.593 1.00 -0.73 H new ATOM 0 HA SER A 153 1.120 -15.700 2.093 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.989 -14.154 2.498 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.051 -13.255 3.674 1.00 0.28 H new ATOM 0 HG SER A 153 3.512 -14.742 4.669 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.257 -14.441 4.781 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.277 -14.646 5.806 1.00 0.36 C ATOM 2332 C GLN A 154 -1.729 -13.303 6.338 1.00 0.57 C ATOM 2333 O GLN A 154 -2.923 -13.079 6.405 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.795 -15.495 6.993 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.513 -16.966 6.653 1.00 0.06 C ATOM 2336 CD GLN A 154 -0.793 -17.872 7.854 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -1.650 -18.749 7.809 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -0.114 -17.643 8.972 1.00 -0.80 N ATOM 0 H GLN A 154 0.377 -13.672 4.996 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.091 -15.188 5.325 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.113 -15.048 7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.547 -15.455 7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -1.132 -17.273 5.810 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.526 -17.078 6.343 1.00 0.06 H new ATOM 0 HE21 GLN A 154 0.596 -16.911 8.997 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -0.302 -18.199 9.806 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.801 -12.398 6.652 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.073 -11.002 6.976 1.00 0.36 C ATOM 2349 C ASP A 155 -2.071 -10.381 5.988 1.00 0.57 C ATOM 2350 O ASP A 155 -3.123 -9.905 6.409 1.00 -0.57 O ATOM 2351 CB ASP A 155 0.295 -10.318 7.004 1.00 0.06 C ATOM 2352 CG ASP A 155 0.287 -8.846 6.629 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.129 -8.549 5.798 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 -0.533 -8.012 7.262 1.00 -0.65 O ATOM 0 H ASP A 155 0.192 -12.627 6.688 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.564 -10.882 7.942 1.00 0.36 H new ATOM 0 HB2 ASP A 155 0.714 -10.420 8.005 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.962 -10.847 6.323 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.806 -10.510 4.683 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.679 -9.996 3.629 1.00 0.36 C ATOM 2362 C ASP A 156 -4.037 -10.704 3.614 1.00 0.57 C ATOM 2363 O ASP A 156 -5.068 -10.039 3.562 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.006 -10.199 2.258 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.609 -8.921 1.511 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -1.726 -7.851 2.085 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -1.091 -9.072 0.296 1.00 -0.65 O ATOM 0 H ASP A 156 -0.972 -10.978 4.329 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.844 -8.937 3.829 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.112 -10.806 2.400 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.683 -10.772 1.624 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.045 -12.043 3.660 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.266 -12.857 3.602 1.00 0.36 C ATOM 2375 C ILE A 157 -6.139 -12.538 4.812 1.00 0.57 C ATOM 2376 O ILE A 157 -7.340 -12.318 4.675 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.902 -14.363 3.560 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.146 -14.730 2.270 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.111 -15.296 3.753 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -4.959 -14.683 0.967 1.00 0.00 C ATOM 0 H ILE A 157 -3.193 -12.598 3.740 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.823 -12.622 2.695 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.243 -14.521 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -3.296 -14.055 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -3.742 -15.736 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.780 -16.334 3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.571 -15.100 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.839 -15.116 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.320 -14.961 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -5.794 -15.381 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -5.341 -13.674 0.813 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.526 -12.498 5.995 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.167 -12.179 7.253 1.00 0.36 C ATOM 2394 C LYS A 158 -6.680 -10.751 7.201 1.00 0.57 C ATOM 2395 O LYS A 158 -7.819 -10.531 7.596 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.168 -12.384 8.404 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.892 -12.528 9.742 1.00 0.00 C ATOM 2398 CD LYS A 158 -4.910 -12.664 10.916 1.00 0.00 C ATOM 2399 CE LYS A 158 -4.609 -11.304 11.561 1.00 0.50 C ATOM 2400 NZ LYS A 158 -3.186 -10.900 11.531 1.00 -0.85 N ATOM 0 H LYS A 158 -4.531 -12.696 6.098 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.016 -12.840 7.427 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.568 -13.274 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.481 -11.539 8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -6.532 -11.660 9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.542 -13.402 9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -5.328 -13.338 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -3.982 -13.114 10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -5.199 -10.540 11.055 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -4.942 -11.329 12.598 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -3.079 -9.972 11.988 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -2.614 -11.604 12.040 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -2.863 -10.840 10.544 1.00 -0.85 H new ATOM 2414 N GLY A 159 -5.882 -9.807 6.688 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.284 -8.429 6.467 1.00 0.36 C ATOM 2416 C GLY A 159 -7.526 -8.381 5.590 1.00 0.57 C ATOM 2417 O GLY A 159 -8.584 -7.982 6.066 1.00 -0.57 O ATOM 0 H GLY A 159 -4.918 -9.993 6.411 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.485 -7.943 7.422 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.473 -7.877 5.992 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.440 -8.862 4.350 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.551 -8.902 3.401 1.00 0.36 C ATOM 2423 C ILE A 160 -9.789 -9.588 4.009 1.00 0.57 C ATOM 2424 O ILE A 160 -10.894 -9.038 3.943 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.057 -9.579 2.098 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.262 -8.610 1.190 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.201 -10.239 1.315 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.087 -7.474 0.574 1.00 0.00 C ATOM 0 H ILE A 160 -6.574 -9.244 3.969 1.00 -0.73 H new ATOM 0 HA ILE A 160 -8.877 -7.890 3.161 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.373 -10.366 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.450 -8.174 1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.804 -9.184 0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.804 -10.700 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.673 -11.002 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.939 -9.484 1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.442 -6.850 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.883 -7.894 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.523 -6.869 1.369 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.630 -10.766 4.630 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.747 -11.452 5.265 1.00 0.36 C ATOM 2442 C GLN A 161 -11.291 -10.668 6.466 1.00 0.57 C ATOM 2443 O GLN A 161 -12.477 -10.775 6.750 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.407 -12.898 5.676 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.487 -13.911 4.514 1.00 0.06 C ATOM 2446 CD GLN A 161 -10.741 -15.364 4.956 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -11.070 -15.661 6.104 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -10.676 -16.314 4.027 1.00 -0.80 N ATOM 0 H GLN A 161 -8.738 -11.256 4.702 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.529 -11.506 4.507 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.401 -12.920 6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.089 -13.211 6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -11.283 -13.606 3.835 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.555 -13.873 3.950 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.404 -16.077 3.073 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -10.898 -17.280 4.269 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.483 -9.869 7.163 1.00 -0.73 N ATOM 2458 CA LYS A 162 -10.938 -9.022 8.266 1.00 0.36 C ATOM 2459 C LYS A 162 -11.528 -7.693 7.765 1.00 0.57 C ATOM 2460 O LYS A 162 -12.292 -7.061 8.493 1.00 -0.57 O ATOM 2461 CB LYS A 162 -9.757 -8.847 9.230 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.086 -8.105 10.538 1.00 0.00 C ATOM 2463 CD LYS A 162 -9.403 -8.738 11.767 1.00 0.00 C ATOM 2464 CE LYS A 162 -8.535 -7.760 12.572 1.00 0.50 C ATOM 2465 NZ LYS A 162 -7.159 -8.267 12.760 1.00 -0.85 N ATOM 0 H LYS A 162 -9.483 -9.791 6.976 1.00 -0.73 H new ATOM 0 HA LYS A 162 -11.763 -9.494 8.800 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.362 -9.832 9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -8.964 -8.307 8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -9.774 -7.064 10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.166 -8.102 10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -10.169 -9.152 12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -8.782 -9.571 11.436 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -8.500 -6.799 12.059 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -8.993 -7.585 13.545 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -6.607 -7.577 13.308 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -7.189 -9.172 13.272 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -6.712 -8.410 11.832 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.201 -7.280 6.534 1.00 -0.73 N ATOM 2480 CA LEU A 163 -11.805 -6.131 5.871 1.00 0.36 C ATOM 2481 C LEU A 163 -13.200 -6.484 5.316 1.00 0.57 C ATOM 2482 O LEU A 163 -14.117 -5.679 5.484 1.00 -0.57 O ATOM 2483 CB LEU A 163 -10.917 -5.619 4.717 1.00 0.00 C ATOM 2484 CG LEU A 163 -9.870 -4.531 5.023 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -8.617 -5.010 5.751 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -9.455 -3.833 3.721 1.00 0.00 C ATOM 0 H LEU A 163 -10.495 -7.748 5.965 1.00 -0.73 H new ATOM 0 HA LEU A 163 -11.903 -5.345 6.620 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -10.391 -6.477 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -11.575 -5.236 3.937 1.00 0.00 H new ATOM 0 HG LEU A 163 -10.368 -3.848 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -7.947 -4.166 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -8.897 -5.444 6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -8.110 -5.762 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -8.714 -3.064 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -9.026 -4.565 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -10.329 -3.374 3.260 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.365 -7.641 4.643 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.610 -7.976 3.918 1.00 0.36 C ATOM 2500 C TYR A 164 -15.080 -9.420 4.079 1.00 0.57 C ATOM 2501 O TYR A 164 -16.248 -9.690 3.790 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.473 -7.790 2.396 1.00 0.14 C ATOM 2503 CG TYR A 164 -13.846 -6.508 1.916 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.450 -6.398 1.934 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -14.635 -5.463 1.400 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -11.832 -5.222 1.496 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.019 -4.283 0.946 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -12.614 -4.150 1.031 1.00 0.08 C ATOM 2509 OH TYR A 164 -11.995 -2.995 0.676 1.00 -0.53 O ATOM 0 H TYR A 164 -12.647 -8.364 4.586 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.326 -7.289 4.370 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -13.886 -8.621 2.005 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -15.467 -7.867 1.955 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -11.849 -7.223 2.287 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -15.709 -5.567 1.353 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -10.755 -5.138 1.515 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -14.616 -3.483 0.535 1.00 -0.15 H new ATOM 0 HH TYR A 164 -11.182 -2.882 1.211 1.00 -0.53 H new