USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1108 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot -93:sc= 2.24 USER MOD Set 1.2: A 168 LYS NZ :NH3+ 176:sc= 1.35 (180deg=0.0342) USER MOD Set 2.1: A 138 SER OG : rot 158:sc= 0.806 USER MOD Set 2.2: A 153 ASN : amide:sc= 0 X(o=0.81,f=0.57) USER MOD Set 3.1: A 43 THR OG1 : rot -113:sc= 1.15 USER MOD Set 3.2: A 86 GLN : amide:sc= 0.454 K(o=1.6,f=-2.8!) USER MOD Set 4.1: A 64 LYS NZ :NH3+ -169:sc= 1.82 (180deg=-0.187) USER MOD Set 4.2: A 67 ASN : amide:sc= 1.55 K(o=4.2,f=-7.4) USER MOD Set 4.3: A 100 ASN : amide:sc= 0.827 K(o=4.2,f=-5.7!) USER MOD Set 5.1: A 21 GLN : amide:sc= 0.379 K(o=2.5,f=-8.2!) USER MOD Set 5.2: A 88 LYS NZ :NH3+ 168:sc= 2.12 (180deg=0.788) USER MOD Set 6.1: A 19 GLN : amide:sc= 0.92 K(o=1.3,f=-0.56) USER MOD Set 6.2: A 25 ASN : amide:sc= 0.348 K(o=1.3,f=-0.56) USER MOD Single : A 10 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.74) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.813 K(o=0.81,f=-13!) USER MOD Single : A 24 LYS NZ :NH3+ -141:sc= 1.25 (180deg=0.0511) USER MOD Single : A 27 SER OG : rot 167:sc= 1.74 USER MOD Single : A 30 SER OG : rot -160:sc= 0.91 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 121:sc= 0.25 USER MOD Single : A 55 HIS : no HD1:sc= -0.006 X(o=-0.006,f=-0.006) USER MOD Single : A 56 MET CE :methyl -164:sc= -0.038 (180deg=-0.146) USER MOD Single : A 57 THR OG1 : rot -119:sc= -0.104 USER MOD Single : A 60 GLN : amide:sc= 0.128! K(o=0.13!,f=-1.7) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= 0.734 (180deg=0.545) USER MOD Single : A 74 SER OG : rot -112:sc= 1.64 USER MOD Single : A 76 SER OG : rot 164:sc= 0.873 USER MOD Single : A 81 ASN : amide:sc= 1.09 K(o=1.1,f=-0.15) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 1.15 K(o=1.2,f=-0.00056) USER MOD Single : A 94 TYR OH : rot 180:sc= 0.735 USER MOD Single : A 97 SER OG : rot 180:sc= 0.469 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 94:sc= 0.289 USER MOD Single : A 109 GLN : amide:sc= -0.323 K(o=-0.32,f=-1.8!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 144:sc= 2.15 (180deg=1.03) USER MOD Single : A 119 SER OG : rot 90:sc= 0.359 USER MOD Single : A 121 LYS NZ :NH3+ 177:sc= -0.0925 (180deg=-0.105) USER MOD Single : A 140 TYR OH : rot -121:sc= 1.23 USER MOD Single : A 147 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.2) USER MOD Single : A 150 LYS NZ :NH3+ 169:sc= -0.996 (180deg=-1.88!) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot -140:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot 77:sc= 0.124 USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.178 -9.609 10.152 1.00 1.09 N ATOM 113 CA ASP A 7 -15.016 -9.381 8.723 1.00 0.88 C ATOM 114 C ASP A 7 -13.549 -9.596 8.273 1.00 0.84 C ATOM 115 O ASP A 7 -12.959 -8.699 7.674 1.00 0.89 O ATOM 116 CB ASP A 7 -15.486 -7.937 8.406 1.00 1.07 C ATOM 117 CG ASP A 7 -14.881 -6.866 9.328 1.00 1.98 C ATOM 118 OD1 ASP A 7 -14.176 -7.242 10.297 1.00 3.07 O ATOM 119 OD2 ASP A 7 -15.174 -5.680 9.079 1.00 2.68 O ATOM 0 HA ASP A 7 -15.620 -10.102 8.171 1.00 0.88 H new ATOM 0 HB2 ASP A 7 -15.229 -7.700 7.374 1.00 1.07 H new ATOM 0 HB3 ASP A 7 -16.573 -7.895 8.481 1.00 1.07 H new ATOM 124 N PRO A 8 -12.931 -10.772 8.498 1.00 1.08 N ATOM 125 CA PRO A 8 -11.580 -11.040 8.019 1.00 1.19 C ATOM 126 C PRO A 8 -11.593 -11.331 6.514 1.00 0.91 C ATOM 127 O PRO A 8 -12.524 -11.962 6.016 1.00 1.11 O ATOM 128 CB PRO A 8 -11.114 -12.267 8.803 1.00 1.65 C ATOM 129 CG PRO A 8 -12.414 -13.048 8.997 1.00 1.75 C ATOM 130 CD PRO A 8 -13.450 -11.939 9.191 1.00 1.48 C ATOM 0 HA PRO A 8 -10.916 -10.188 8.167 1.00 1.19 H new ATOM 0 HB2 PRO A 8 -10.372 -12.844 8.251 1.00 1.65 H new ATOM 0 HB3 PRO A 8 -10.660 -11.992 9.755 1.00 1.65 H new ATOM 0 HG2 PRO A 8 -12.645 -13.670 8.132 1.00 1.75 H new ATOM 0 HG3 PRO A 8 -12.363 -13.710 9.862 1.00 1.75 H new ATOM 0 HD2 PRO A 8 -14.417 -12.235 8.784 1.00 1.48 H new ATOM 0 HD3 PRO A 8 -13.600 -11.728 10.250 1.00 1.48 H new ATOM 138 N LEU A 9 -10.551 -10.902 5.796 1.00 0.76 N ATOM 139 CA LEU A 9 -10.424 -11.100 4.348 1.00 0.65 C ATOM 140 C LEU A 9 -9.459 -12.261 4.055 1.00 0.67 C ATOM 141 O LEU A 9 -8.937 -12.880 4.981 1.00 0.72 O ATOM 142 CB LEU A 9 -10.030 -9.807 3.605 1.00 0.68 C ATOM 143 CG LEU A 9 -10.088 -8.517 4.429 1.00 0.80 C ATOM 144 CD1 LEU A 9 -9.340 -7.407 3.699 1.00 0.98 C ATOM 145 CD2 LEU A 9 -11.520 -8.084 4.729 1.00 0.77 C ATOM 0 H LEU A 9 -9.763 -10.402 6.208 1.00 0.76 H new ATOM 0 HA LEU A 9 -11.406 -11.369 3.960 1.00 0.65 H new ATOM 0 HB2 LEU A 9 -9.016 -9.925 3.222 1.00 0.68 H new ATOM 0 HB3 LEU A 9 -10.685 -9.693 2.741 1.00 0.68 H new ATOM 0 HG LEU A 9 -9.609 -8.715 5.388 1.00 0.80 H new ATOM 0 HD11 LEU A 9 -9.383 -6.491 4.288 1.00 0.98 H new ATOM 0 HD12 LEU A 9 -8.299 -7.700 3.560 1.00 0.98 H new ATOM 0 HD13 LEU A 9 -9.802 -7.235 2.727 1.00 0.98 H new ATOM 0 HD21 LEU A 9 -11.507 -7.165 5.315 1.00 0.77 H new ATOM 0 HD22 LEU A 9 -12.051 -7.910 3.793 1.00 0.77 H new ATOM 0 HD23 LEU A 9 -12.026 -8.867 5.293 1.00 0.77 H new ATOM 157 N ASN A 10 -9.195 -12.549 2.773 1.00 0.84 N ATOM 158 CA ASN A 10 -8.119 -13.447 2.342 1.00 0.96 C ATOM 159 C ASN A 10 -7.602 -12.975 0.982 1.00 0.98 C ATOM 160 O ASN A 10 -7.598 -13.729 0.015 1.00 1.15 O ATOM 161 CB ASN A 10 -8.599 -14.906 2.206 1.00 1.23 C ATOM 162 CG ASN A 10 -9.310 -15.478 3.423 1.00 1.57 C ATOM 163 OD1 ASN A 10 -8.674 -15.928 4.372 1.00 1.82 O ATOM 164 ND2 ASN A 10 -10.640 -15.517 3.370 1.00 2.19 N ATOM 0 H ASN A 10 -9.731 -12.159 1.998 1.00 0.84 H new ATOM 0 HA ASN A 10 -7.335 -13.419 3.099 1.00 0.96 H new ATOM 0 HB2 ASN A 10 -9.271 -14.971 1.351 1.00 1.23 H new ATOM 0 HB3 ASN A 10 -7.737 -15.534 1.982 1.00 1.23 H new ATOM 0 HD21 ASN A 10 -11.169 -15.932 4.137 1.00 2.19 H new ATOM 0 HD22 ASN A 10 -11.130 -15.132 2.563 1.00 2.19 H new ATOM 171 N TYR A 11 -7.153 -11.727 0.882 1.00 0.85 N ATOM 172 CA TYR A 11 -6.867 -11.137 -0.426 1.00 0.92 C ATOM 173 C TYR A 11 -5.461 -11.549 -0.887 1.00 0.89 C ATOM 174 O TYR A 11 -4.476 -11.022 -0.380 1.00 0.68 O ATOM 175 CB TYR A 11 -7.060 -9.614 -0.342 1.00 0.89 C ATOM 176 CG TYR A 11 -7.867 -8.965 -1.451 1.00 1.02 C ATOM 177 CD1 TYR A 11 -7.715 -9.365 -2.794 1.00 1.65 C ATOM 178 CD2 TYR A 11 -8.708 -7.880 -1.139 1.00 2.43 C ATOM 179 CE1 TYR A 11 -8.444 -8.719 -3.807 1.00 1.65 C ATOM 180 CE2 TYR A 11 -9.427 -7.229 -2.153 1.00 2.55 C ATOM 181 CZ TYR A 11 -9.298 -7.653 -3.484 1.00 1.32 C ATOM 182 OH TYR A 11 -10.103 -7.108 -4.441 1.00 1.46 O ATOM 0 H TYR A 11 -6.981 -11.111 1.677 1.00 0.85 H new ATOM 0 HA TYR A 11 -7.559 -11.509 -1.181 1.00 0.92 H new ATOM 0 HB2 TYR A 11 -7.542 -9.384 0.608 1.00 0.89 H new ATOM 0 HB3 TYR A 11 -6.075 -9.147 -0.321 1.00 0.89 H new ATOM 0 HD1 TYR A 11 -7.038 -10.168 -3.045 1.00 1.65 H new ATOM 0 HD2 TYR A 11 -8.800 -7.548 -0.116 1.00 2.43 H new ATOM 0 HE1 TYR A 11 -8.347 -9.042 -4.833 1.00 1.65 H new ATOM 0 HE2 TYR A 11 -10.079 -6.403 -1.909 1.00 2.55 H new ATOM 0 HH TYR A 11 -9.649 -6.345 -4.855 1.00 1.46 H new ATOM 192 N GLU A 12 -5.345 -12.512 -1.802 1.00 1.18 N ATOM 193 CA GLU A 12 -4.090 -13.202 -2.094 1.00 1.21 C ATOM 194 C GLU A 12 -3.147 -12.314 -2.920 1.00 1.03 C ATOM 195 O GLU A 12 -3.244 -12.288 -4.146 1.00 1.15 O ATOM 196 CB GLU A 12 -4.425 -14.506 -2.842 1.00 1.73 C ATOM 197 CG GLU A 12 -5.178 -15.500 -1.939 1.00 2.33 C ATOM 198 CD GLU A 12 -5.833 -16.647 -2.695 1.00 3.10 C ATOM 199 OE1 GLU A 12 -6.061 -16.531 -3.921 1.00 4.20 O ATOM 200 OE2 GLU A 12 -6.254 -17.628 -2.041 1.00 3.33 O ATOM 0 H GLU A 12 -6.129 -12.838 -2.367 1.00 1.18 H new ATOM 0 HA GLU A 12 -3.568 -13.432 -1.165 1.00 1.21 H new ATOM 0 HB2 GLU A 12 -5.032 -14.278 -3.718 1.00 1.73 H new ATOM 0 HB3 GLU A 12 -3.505 -14.966 -3.202 1.00 1.73 H new ATOM 0 HG2 GLU A 12 -4.482 -15.911 -1.208 1.00 2.33 H new ATOM 0 HG3 GLU A 12 -5.944 -14.961 -1.382 1.00 2.33 H new ATOM 207 N VAL A 13 -2.216 -11.602 -2.267 1.00 0.83 N ATOM 208 CA VAL A 13 -1.237 -10.785 -2.972 1.00 0.71 C ATOM 209 C VAL A 13 -0.097 -11.675 -3.482 1.00 0.68 C ATOM 210 O VAL A 13 0.508 -12.418 -2.709 1.00 0.77 O ATOM 211 CB VAL A 13 -0.773 -9.579 -2.122 1.00 0.75 C ATOM 212 CG1 VAL A 13 -1.838 -9.032 -1.168 1.00 2.03 C ATOM 213 CG2 VAL A 13 0.532 -9.755 -1.360 1.00 1.15 C ATOM 0 H VAL A 13 -2.127 -11.581 -1.251 1.00 0.83 H new ATOM 0 HA VAL A 13 -1.702 -10.333 -3.848 1.00 0.71 H new ATOM 0 HB VAL A 13 -0.585 -8.845 -2.906 1.00 0.75 H new ATOM 0 HG11 VAL A 13 -1.429 -8.189 -0.611 1.00 2.03 H new ATOM 0 HG12 VAL A 13 -2.705 -8.703 -1.741 1.00 2.03 H new ATOM 0 HG13 VAL A 13 -2.139 -9.815 -0.472 1.00 2.03 H new ATOM 0 HG21 VAL A 13 0.753 -8.845 -0.802 1.00 1.15 H new ATOM 0 HG22 VAL A 13 0.439 -10.592 -0.668 1.00 1.15 H new ATOM 0 HG23 VAL A 13 1.340 -9.954 -2.064 1.00 1.15 H new ATOM 223 N GLU A 14 0.189 -11.627 -4.787 1.00 0.78 N ATOM 224 CA GLU A 14 1.200 -12.488 -5.390 1.00 0.76 C ATOM 225 C GLU A 14 2.613 -12.086 -4.953 1.00 0.69 C ATOM 226 O GLU A 14 2.935 -10.895 -4.976 1.00 0.76 O ATOM 227 CB GLU A 14 1.108 -12.439 -6.911 1.00 0.96 C ATOM 228 CG GLU A 14 -0.168 -13.088 -7.459 1.00 1.55 C ATOM 229 CD GLU A 14 -0.093 -14.608 -7.563 1.00 1.97 C ATOM 230 OE1 GLU A 14 0.750 -15.214 -6.872 1.00 2.77 O ATOM 231 OE2 GLU A 14 -0.885 -15.129 -8.382 1.00 2.84 O ATOM 0 H GLU A 14 -0.270 -10.997 -5.445 1.00 0.78 H new ATOM 0 HA GLU A 14 1.007 -13.504 -5.046 1.00 0.76 H new ATOM 0 HB2 GLU A 14 1.149 -11.400 -7.238 1.00 0.96 H new ATOM 0 HB3 GLU A 14 1.976 -12.942 -7.338 1.00 0.96 H new ATOM 0 HG2 GLU A 14 -1.006 -12.819 -6.816 1.00 1.55 H new ATOM 0 HG3 GLU A 14 -0.378 -12.676 -8.446 1.00 1.55 H new ATOM 238 N PRO A 15 3.481 -13.050 -4.604 1.00 0.66 N ATOM 239 CA PRO A 15 4.906 -12.810 -4.454 1.00 0.71 C ATOM 240 C PRO A 15 5.522 -12.209 -5.718 1.00 0.72 C ATOM 241 O PRO A 15 5.169 -12.600 -6.829 1.00 0.74 O ATOM 242 CB PRO A 15 5.530 -14.171 -4.124 1.00 0.78 C ATOM 243 CG PRO A 15 4.368 -14.963 -3.528 1.00 0.77 C ATOM 244 CD PRO A 15 3.163 -14.436 -4.308 1.00 0.71 C ATOM 0 HA PRO A 15 5.095 -12.082 -3.665 1.00 0.71 H new ATOM 0 HB2 PRO A 15 5.930 -14.655 -5.015 1.00 0.78 H new ATOM 0 HB3 PRO A 15 6.354 -14.074 -3.417 1.00 0.78 H new ATOM 0 HG2 PRO A 15 4.499 -16.037 -3.663 1.00 0.77 H new ATOM 0 HG3 PRO A 15 4.265 -14.787 -2.457 1.00 0.77 H new ATOM 0 HD2 PRO A 15 3.004 -15.008 -5.222 1.00 0.71 H new ATOM 0 HD3 PRO A 15 2.248 -14.514 -3.720 1.00 0.71 H new ATOM 252 N PHE A 16 6.465 -11.278 -5.547 1.00 0.73 N ATOM 253 CA PHE A 16 7.253 -10.692 -6.613 1.00 0.67 C ATOM 254 C PHE A 16 8.381 -9.924 -5.926 1.00 0.66 C ATOM 255 O PHE A 16 8.312 -9.709 -4.712 1.00 0.79 O ATOM 256 CB PHE A 16 6.394 -9.783 -7.503 1.00 0.74 C ATOM 257 CG PHE A 16 7.114 -9.301 -8.746 1.00 0.88 C ATOM 258 CD1 PHE A 16 7.315 -10.189 -9.818 1.00 1.77 C ATOM 259 CD2 PHE A 16 7.697 -8.020 -8.781 1.00 1.98 C ATOM 260 CE1 PHE A 16 8.094 -9.800 -10.921 1.00 1.99 C ATOM 261 CE2 PHE A 16 8.485 -7.636 -9.878 1.00 2.16 C ATOM 262 CZ PHE A 16 8.684 -8.524 -10.950 1.00 1.52 C ATOM 0 H PHE A 16 6.702 -10.905 -4.628 1.00 0.73 H new ATOM 0 HA PHE A 16 7.656 -11.454 -7.281 1.00 0.67 H new ATOM 0 HB2 PHE A 16 5.495 -10.323 -7.800 1.00 0.74 H new ATOM 0 HB3 PHE A 16 6.070 -8.919 -6.922 1.00 0.74 H new ATOM 0 HD1 PHE A 16 6.869 -11.173 -9.793 1.00 1.77 H new ATOM 0 HD2 PHE A 16 7.538 -7.332 -7.964 1.00 1.98 H new ATOM 0 HE1 PHE A 16 8.240 -10.481 -11.746 1.00 1.99 H new ATOM 0 HE2 PHE A 16 8.939 -6.656 -9.898 1.00 2.16 H new ATOM 0 HZ PHE A 16 9.289 -8.227 -11.794 1.00 1.52 H new ATOM 272 N THR A 17 9.402 -9.535 -6.691 1.00 0.59 N ATOM 273 CA THR A 17 10.604 -8.888 -6.196 1.00 0.52 C ATOM 274 C THR A 17 10.668 -7.463 -6.741 1.00 0.53 C ATOM 275 O THR A 17 10.958 -7.246 -7.916 1.00 0.76 O ATOM 276 CB THR A 17 11.823 -9.735 -6.576 1.00 0.51 C ATOM 277 OG1 THR A 17 11.601 -11.057 -6.128 1.00 0.62 O ATOM 278 CG2 THR A 17 13.083 -9.198 -5.899 1.00 0.51 C ATOM 0 H THR A 17 9.409 -9.668 -7.702 1.00 0.59 H new ATOM 0 HA THR A 17 10.593 -8.813 -5.109 1.00 0.52 H new ATOM 0 HB THR A 17 11.960 -9.702 -7.657 1.00 0.51 H new ATOM 0 HG1 THR A 17 12.371 -11.616 -6.364 1.00 0.62 H new ATOM 0 HG21 THR A 17 13.938 -9.813 -6.181 1.00 0.51 H new ATOM 0 HG22 THR A 17 13.256 -8.169 -6.215 1.00 0.51 H new ATOM 0 HG23 THR A 17 12.956 -9.228 -4.817 1.00 0.51 H new ATOM 286 N PHE A 18 10.397 -6.491 -5.873 1.00 0.47 N ATOM 287 CA PHE A 18 10.300 -5.076 -6.183 1.00 0.48 C ATOM 288 C PHE A 18 11.612 -4.387 -5.812 1.00 0.46 C ATOM 289 O PHE A 18 12.492 -5.012 -5.214 1.00 0.44 O ATOM 290 CB PHE A 18 9.173 -4.470 -5.338 1.00 0.51 C ATOM 291 CG PHE A 18 7.897 -5.289 -5.286 1.00 0.58 C ATOM 292 CD1 PHE A 18 6.938 -5.171 -6.309 1.00 1.83 C ATOM 293 CD2 PHE A 18 7.695 -6.212 -4.241 1.00 1.38 C ATOM 294 CE1 PHE A 18 5.780 -5.966 -6.280 1.00 1.91 C ATOM 295 CE2 PHE A 18 6.543 -7.015 -4.222 1.00 1.36 C ATOM 296 CZ PHE A 18 5.576 -6.880 -5.232 1.00 0.78 C ATOM 0 H PHE A 18 10.232 -6.684 -4.885 1.00 0.47 H new ATOM 0 HA PHE A 18 10.099 -4.941 -7.246 1.00 0.48 H new ATOM 0 HB2 PHE A 18 9.538 -4.329 -4.321 1.00 0.51 H new ATOM 0 HB3 PHE A 18 8.936 -3.481 -5.731 1.00 0.51 H new ATOM 0 HD1 PHE A 18 7.092 -4.470 -7.116 1.00 1.83 H new ATOM 0 HD2 PHE A 18 8.428 -6.302 -3.453 1.00 1.38 H new ATOM 0 HE1 PHE A 18 5.044 -5.875 -7.065 1.00 1.91 H new ATOM 0 HE2 PHE A 18 6.401 -7.736 -3.431 1.00 1.36 H new ATOM 0 HZ PHE A 18 4.677 -7.478 -5.203 1.00 0.78 H new ATOM 306 N GLN A 19 11.713 -3.088 -6.115 1.00 0.48 N ATOM 307 CA GLN A 19 12.729 -2.201 -5.572 1.00 0.48 C ATOM 308 C GLN A 19 12.068 -1.103 -4.746 1.00 0.45 C ATOM 309 O GLN A 19 10.979 -0.637 -5.087 1.00 0.47 O ATOM 310 CB GLN A 19 13.579 -1.606 -6.692 1.00 0.61 C ATOM 311 CG GLN A 19 14.326 -2.750 -7.376 1.00 0.73 C ATOM 312 CD GLN A 19 15.442 -2.260 -8.278 1.00 1.41 C ATOM 313 OE1 GLN A 19 15.317 -1.237 -8.942 1.00 2.13 O ATOM 314 NE2 GLN A 19 16.551 -2.989 -8.298 1.00 1.83 N ATOM 0 H GLN A 19 11.074 -2.621 -6.759 1.00 0.48 H new ATOM 0 HA GLN A 19 13.390 -2.775 -4.923 1.00 0.48 H new ATOM 0 HB2 GLN A 19 12.950 -1.079 -7.409 1.00 0.61 H new ATOM 0 HB3 GLN A 19 14.283 -0.877 -6.290 1.00 0.61 H new ATOM 0 HG2 GLN A 19 14.742 -3.413 -6.617 1.00 0.73 H new ATOM 0 HG3 GLN A 19 13.622 -3.340 -7.963 1.00 0.73 H new ATOM 0 HE21 GLN A 19 16.616 -3.834 -7.731 1.00 1.83 H new ATOM 0 HE22 GLN A 19 17.338 -2.704 -8.881 1.00 1.83 H new ATOM 323 N ASN A 20 12.734 -0.721 -3.655 1.00 0.49 N ATOM 324 CA ASN A 20 12.336 0.365 -2.775 1.00 0.50 C ATOM 325 C ASN A 20 13.014 1.686 -3.140 1.00 0.62 C ATOM 326 O ASN A 20 13.875 1.743 -4.015 1.00 0.70 O ATOM 327 CB ASN A 20 12.502 -0.031 -1.298 1.00 0.47 C ATOM 328 CG ASN A 20 13.920 0.115 -0.770 1.00 0.62 C ATOM 329 OD1 ASN A 20 14.835 0.464 -1.510 1.00 1.00 O ATOM 330 ND2 ASN A 20 14.106 -0.113 0.525 1.00 0.63 N ATOM 0 H ASN A 20 13.594 -1.179 -3.354 1.00 0.49 H new ATOM 0 HA ASN A 20 11.272 0.547 -2.925 1.00 0.50 H new ATOM 0 HB2 ASN A 20 11.835 0.582 -0.692 1.00 0.47 H new ATOM 0 HB3 ASN A 20 12.184 -1.066 -1.173 1.00 0.47 H new ATOM 0 HD21 ASN A 20 15.033 0.001 0.935 1.00 0.63 H new ATOM 0 HD22 ASN A 20 13.322 -0.402 1.110 1.00 0.63 H new ATOM 337 N GLN A 21 12.627 2.754 -2.441 1.00 0.69 N ATOM 338 CA GLN A 21 13.164 4.100 -2.604 1.00 0.90 C ATOM 339 C GLN A 21 14.686 4.214 -2.405 1.00 0.90 C ATOM 340 O GLN A 21 15.272 5.196 -2.853 1.00 1.04 O ATOM 341 CB GLN A 21 12.373 5.079 -1.719 1.00 1.13 C ATOM 342 CG GLN A 21 12.282 4.696 -0.231 1.00 1.25 C ATOM 343 CD GLN A 21 13.617 4.790 0.495 1.00 1.64 C ATOM 344 OE1 GLN A 21 14.271 5.829 0.447 1.00 2.44 O ATOM 345 NE2 GLN A 21 14.033 3.730 1.180 1.00 1.80 N ATOM 0 H GLN A 21 11.906 2.701 -1.722 1.00 0.69 H new ATOM 0 HA GLN A 21 13.027 4.373 -3.650 1.00 0.90 H new ATOM 0 HB2 GLN A 21 12.832 6.064 -1.796 1.00 1.13 H new ATOM 0 HB3 GLN A 21 11.362 5.167 -2.117 1.00 1.13 H new ATOM 0 HG2 GLN A 21 11.561 5.348 0.262 1.00 1.25 H new ATOM 0 HG3 GLN A 21 11.901 3.678 -0.147 1.00 1.25 H new ATOM 0 HE21 GLN A 21 13.467 2.882 1.200 1.00 1.80 H new ATOM 0 HE22 GLN A 21 14.918 3.765 1.685 1.00 1.80 H new ATOM 354 N ASP A 22 15.326 3.235 -1.753 1.00 0.87 N ATOM 355 CA ASP A 22 16.779 3.159 -1.600 1.00 0.88 C ATOM 356 C ASP A 22 17.431 2.533 -2.844 1.00 0.75 C ATOM 357 O ASP A 22 18.648 2.391 -2.922 1.00 0.85 O ATOM 358 CB ASP A 22 17.097 2.395 -0.306 1.00 1.07 C ATOM 359 CG ASP A 22 18.575 2.431 0.058 1.00 2.24 C ATOM 360 OD1 ASP A 22 19.091 3.561 0.200 1.00 2.67 O ATOM 361 OD2 ASP A 22 19.135 1.331 0.255 1.00 3.72 O ATOM 0 H ASP A 22 14.835 2.459 -1.309 1.00 0.87 H new ATOM 0 HA ASP A 22 17.204 4.159 -1.517 1.00 0.88 H new ATOM 0 HB2 ASP A 22 16.516 2.820 0.513 1.00 1.07 H new ATOM 0 HB3 ASP A 22 16.781 1.358 -0.416 1.00 1.07 H new ATOM 366 N GLY A 23 16.625 2.138 -3.838 1.00 0.72 N ATOM 367 CA GLY A 23 17.077 1.353 -4.976 1.00 0.76 C ATOM 368 C GLY A 23 17.412 -0.072 -4.539 1.00 0.79 C ATOM 369 O GLY A 23 18.140 -0.781 -5.229 1.00 1.03 O ATOM 0 H GLY A 23 15.630 2.361 -3.868 1.00 0.72 H new ATOM 0 HA2 GLY A 23 16.303 1.333 -5.743 1.00 0.76 H new ATOM 0 HA3 GLY A 23 17.955 1.820 -5.422 1.00 0.76 H new ATOM 373 N LYS A 24 16.880 -0.493 -3.389 1.00 0.66 N ATOM 374 CA LYS A 24 17.221 -1.740 -2.737 1.00 0.65 C ATOM 375 C LYS A 24 16.090 -2.721 -3.041 1.00 0.55 C ATOM 376 O LYS A 24 14.915 -2.369 -2.930 1.00 0.57 O ATOM 377 CB LYS A 24 17.368 -1.423 -1.242 1.00 0.78 C ATOM 378 CG LYS A 24 18.133 -2.415 -0.372 1.00 0.80 C ATOM 379 CD LYS A 24 17.488 -3.802 -0.454 1.00 1.79 C ATOM 380 CE LYS A 24 17.721 -4.697 0.763 1.00 2.22 C ATOM 381 NZ LYS A 24 17.157 -6.042 0.511 1.00 3.40 N ATOM 0 H LYS A 24 16.181 0.047 -2.879 1.00 0.66 H new ATOM 0 HA LYS A 24 18.152 -2.190 -3.080 1.00 0.65 H new ATOM 0 HB2 LYS A 24 17.858 -0.453 -1.153 1.00 0.78 H new ATOM 0 HB3 LYS A 24 16.367 -1.314 -0.824 1.00 0.78 H new ATOM 0 HG2 LYS A 24 19.172 -2.470 -0.698 1.00 0.80 H new ATOM 0 HG3 LYS A 24 18.141 -2.071 0.662 1.00 0.80 H new ATOM 0 HD2 LYS A 24 16.414 -3.679 -0.595 1.00 1.79 H new ATOM 0 HD3 LYS A 24 17.869 -4.311 -1.339 1.00 1.79 H new ATOM 0 HE2 LYS A 24 18.788 -4.773 0.971 1.00 2.22 H new ATOM 0 HE3 LYS A 24 17.255 -4.256 1.644 1.00 2.22 H new ATOM 0 HZ1 LYS A 24 16.713 -6.401 1.380 1.00 3.40 H new ATOM 0 HZ2 LYS A 24 16.444 -5.984 -0.244 1.00 3.40 H new ATOM 0 HZ3 LYS A 24 17.918 -6.688 0.219 1.00 3.40 H new ATOM 395 N ASN A 25 16.429 -3.956 -3.418 1.00 0.52 N ATOM 396 CA ASN A 25 15.428 -4.955 -3.771 1.00 0.54 C ATOM 397 C ASN A 25 14.762 -5.528 -2.519 1.00 0.54 C ATOM 398 O ASN A 25 15.433 -5.823 -1.523 1.00 0.58 O ATOM 399 CB ASN A 25 16.027 -6.076 -4.635 1.00 0.65 C ATOM 400 CG ASN A 25 15.891 -5.783 -6.127 1.00 2.37 C ATOM 401 OD1 ASN A 25 16.857 -5.433 -6.797 1.00 3.03 O ATOM 402 ND2 ASN A 25 14.682 -5.893 -6.670 1.00 3.86 N ATOM 0 H ASN A 25 17.392 -4.285 -3.485 1.00 0.52 H new ATOM 0 HA ASN A 25 14.663 -4.456 -4.366 1.00 0.54 H new ATOM 0 HB2 ASN A 25 17.080 -6.203 -4.385 1.00 0.65 H new ATOM 0 HB3 ASN A 25 15.529 -7.018 -4.404 1.00 0.65 H new ATOM 0 HD21 ASN A 25 14.546 -5.685 -7.659 1.00 3.86 H new ATOM 0 HD22 ASN A 25 13.890 -6.185 -6.097 1.00 3.86 H new ATOM 409 N VAL A 26 13.436 -5.682 -2.580 1.00 0.54 N ATOM 410 CA VAL A 26 12.595 -6.222 -1.523 1.00 0.59 C ATOM 411 C VAL A 26 11.578 -7.146 -2.191 1.00 0.62 C ATOM 412 O VAL A 26 10.994 -6.768 -3.205 1.00 0.64 O ATOM 413 CB VAL A 26 11.888 -5.092 -0.766 1.00 0.65 C ATOM 414 CG1 VAL A 26 11.072 -5.622 0.422 1.00 2.06 C ATOM 415 CG2 VAL A 26 12.859 -4.020 -0.254 1.00 1.95 C ATOM 0 H VAL A 26 12.901 -5.420 -3.408 1.00 0.54 H new ATOM 0 HA VAL A 26 13.192 -6.770 -0.794 1.00 0.59 H new ATOM 0 HB VAL A 26 11.219 -4.636 -1.496 1.00 0.65 H new ATOM 0 HG11 VAL A 26 10.587 -4.789 0.931 1.00 2.06 H new ATOM 0 HG12 VAL A 26 10.314 -6.317 0.061 1.00 2.06 H new ATOM 0 HG13 VAL A 26 11.735 -6.136 1.118 1.00 2.06 H new ATOM 0 HG21 VAL A 26 12.301 -3.246 0.274 1.00 1.95 H new ATOM 0 HG22 VAL A 26 13.579 -4.476 0.426 1.00 1.95 H new ATOM 0 HG23 VAL A 26 13.388 -3.575 -1.097 1.00 1.95 H new ATOM 425 N SER A 27 11.372 -8.343 -1.645 1.00 0.70 N ATOM 426 CA SER A 27 10.365 -9.283 -2.114 1.00 0.72 C ATOM 427 C SER A 27 9.345 -9.503 -1.006 1.00 0.62 C ATOM 428 O SER A 27 9.618 -9.204 0.156 1.00 0.60 O ATOM 429 CB SER A 27 11.054 -10.597 -2.505 1.00 0.76 C ATOM 430 OG SER A 27 10.127 -11.648 -2.701 1.00 2.11 O ATOM 0 H SER A 27 11.911 -8.689 -0.851 1.00 0.70 H new ATOM 0 HA SER A 27 9.847 -8.892 -2.990 1.00 0.72 H new ATOM 0 HB2 SER A 27 11.629 -10.446 -3.419 1.00 0.76 H new ATOM 0 HB3 SER A 27 11.762 -10.880 -1.726 1.00 0.76 H new ATOM 0 HG SER A 27 10.572 -12.397 -3.150 1.00 2.11 H new ATOM 436 N LEU A 28 8.204 -10.111 -1.343 1.00 0.60 N ATOM 437 CA LEU A 28 7.370 -10.732 -0.325 1.00 0.49 C ATOM 438 C LEU A 28 8.209 -11.684 0.523 1.00 0.45 C ATOM 439 O LEU A 28 8.005 -11.749 1.728 1.00 0.57 O ATOM 440 CB LEU A 28 6.179 -11.478 -0.940 1.00 0.57 C ATOM 441 CG LEU A 28 4.865 -10.711 -0.729 1.00 0.71 C ATOM 442 CD1 LEU A 28 4.787 -9.484 -1.644 1.00 1.23 C ATOM 443 CD2 LEU A 28 3.664 -11.632 -0.961 1.00 1.13 C ATOM 0 H LEU A 28 7.846 -10.183 -2.296 1.00 0.60 H new ATOM 0 HA LEU A 28 6.968 -9.940 0.307 1.00 0.49 H new ATOM 0 HB2 LEU A 28 6.350 -11.622 -2.007 1.00 0.57 H new ATOM 0 HB3 LEU A 28 6.099 -12.469 -0.493 1.00 0.57 H new ATOM 0 HG LEU A 28 4.841 -10.361 0.303 1.00 0.71 H new ATOM 0 HD11 LEU A 28 3.846 -8.961 -1.472 1.00 1.23 H new ATOM 0 HD12 LEU A 28 5.619 -8.814 -1.426 1.00 1.23 H new ATOM 0 HD13 LEU A 28 4.840 -9.803 -2.685 1.00 1.23 H new ATOM 0 HD21 LEU A 28 2.741 -11.072 -0.807 1.00 1.13 H new ATOM 0 HD22 LEU A 28 3.691 -12.015 -1.981 1.00 1.13 H new ATOM 0 HD23 LEU A 28 3.704 -12.466 -0.260 1.00 1.13 H new ATOM 455 N GLU A 29 9.182 -12.385 -0.065 1.00 0.57 N ATOM 456 CA GLU A 29 10.092 -13.246 0.676 1.00 0.75 C ATOM 457 C GLU A 29 10.781 -12.485 1.818 1.00 0.74 C ATOM 458 O GLU A 29 11.053 -13.051 2.873 1.00 0.90 O ATOM 459 CB GLU A 29 11.114 -13.826 -0.288 1.00 0.98 C ATOM 460 CG GLU A 29 10.487 -14.668 -1.409 1.00 1.21 C ATOM 461 CD GLU A 29 11.457 -14.789 -2.573 1.00 2.58 C ATOM 462 OE1 GLU A 29 11.641 -13.743 -3.234 1.00 3.61 O ATOM 463 OE2 GLU A 29 12.007 -15.894 -2.755 1.00 3.39 O ATOM 0 H GLU A 29 9.357 -12.368 -1.070 1.00 0.57 H new ATOM 0 HA GLU A 29 9.523 -14.055 1.134 1.00 0.75 H new ATOM 0 HB2 GLU A 29 11.686 -13.012 -0.732 1.00 0.98 H new ATOM 0 HB3 GLU A 29 11.818 -14.444 0.269 1.00 0.98 H new ATOM 0 HG2 GLU A 29 10.233 -15.659 -1.032 1.00 1.21 H new ATOM 0 HG3 GLU A 29 9.558 -14.207 -1.745 1.00 1.21 H new ATOM 470 N SER A 30 11.051 -11.192 1.613 1.00 0.63 N ATOM 471 CA SER A 30 11.647 -10.305 2.599 1.00 0.67 C ATOM 472 C SER A 30 10.713 -9.953 3.767 1.00 0.61 C ATOM 473 O SER A 30 11.122 -9.178 4.631 1.00 0.76 O ATOM 474 CB SER A 30 12.177 -9.055 1.913 1.00 0.74 C ATOM 475 OG SER A 30 12.731 -9.353 0.641 1.00 1.44 O ATOM 0 H SER A 30 10.852 -10.726 0.728 1.00 0.63 H new ATOM 0 HA SER A 30 12.474 -10.850 3.055 1.00 0.67 H new ATOM 0 HB2 SER A 30 11.370 -8.332 1.799 1.00 0.74 H new ATOM 0 HB3 SER A 30 12.936 -8.589 2.541 1.00 0.74 H new ATOM 0 HG SER A 30 13.331 -8.628 0.368 1.00 1.44 H new ATOM 481 N LEU A 31 9.446 -10.383 3.718 1.00 0.52 N ATOM 482 CA LEU A 31 8.383 -10.040 4.661 1.00 0.56 C ATOM 483 C LEU A 31 7.633 -11.280 5.180 1.00 0.69 C ATOM 484 O LEU A 31 7.177 -11.308 6.318 1.00 0.93 O ATOM 485 CB LEU A 31 7.401 -9.101 3.946 1.00 0.51 C ATOM 486 CG LEU A 31 8.077 -7.846 3.367 1.00 0.43 C ATOM 487 CD1 LEU A 31 7.165 -7.160 2.353 1.00 0.45 C ATOM 488 CD2 LEU A 31 8.432 -6.874 4.493 1.00 0.47 C ATOM 0 H LEU A 31 9.122 -11.010 2.982 1.00 0.52 H new ATOM 0 HA LEU A 31 8.832 -9.559 5.530 1.00 0.56 H new ATOM 0 HB2 LEU A 31 6.909 -9.645 3.140 1.00 0.51 H new ATOM 0 HB3 LEU A 31 6.623 -8.797 4.647 1.00 0.51 H new ATOM 0 HG LEU A 31 8.991 -8.152 2.858 1.00 0.43 H new ATOM 0 HD11 LEU A 31 7.663 -6.275 1.956 1.00 0.45 H new ATOM 0 HD12 LEU A 31 6.945 -7.849 1.537 1.00 0.45 H new ATOM 0 HD13 LEU A 31 6.236 -6.866 2.840 1.00 0.45 H new ATOM 0 HD21 LEU A 31 8.910 -5.989 4.073 1.00 0.47 H new ATOM 0 HD22 LEU A 31 7.524 -6.580 5.020 1.00 0.47 H new ATOM 0 HD23 LEU A 31 9.115 -7.359 5.190 1.00 0.47 H new ATOM 500 N LYS A 32 7.457 -12.301 4.340 1.00 0.64 N ATOM 501 CA LYS A 32 6.722 -13.521 4.626 1.00 0.71 C ATOM 502 C LYS A 32 7.177 -14.140 5.943 1.00 0.74 C ATOM 503 O LYS A 32 8.358 -14.420 6.136 1.00 0.92 O ATOM 504 CB LYS A 32 6.913 -14.467 3.449 1.00 0.83 C ATOM 505 CG LYS A 32 6.161 -15.797 3.606 1.00 1.36 C ATOM 506 CD LYS A 32 7.101 -16.844 4.196 1.00 3.18 C ATOM 507 CE LYS A 32 6.551 -18.262 3.997 1.00 3.41 C ATOM 508 NZ LYS A 32 7.483 -19.283 4.515 1.00 4.96 N ATOM 0 H LYS A 32 7.845 -12.293 3.397 1.00 0.64 H new ATOM 0 HA LYS A 32 5.660 -13.307 4.747 1.00 0.71 H new ATOM 0 HB2 LYS A 32 6.576 -13.973 2.537 1.00 0.83 H new ATOM 0 HB3 LYS A 32 7.976 -14.672 3.326 1.00 0.83 H new ATOM 0 HG2 LYS A 32 5.295 -15.663 4.254 1.00 1.36 H new ATOM 0 HG3 LYS A 32 5.787 -16.132 2.639 1.00 1.36 H new ATOM 0 HD2 LYS A 32 8.081 -16.762 3.726 1.00 3.18 H new ATOM 0 HD3 LYS A 32 7.241 -16.652 5.260 1.00 3.18 H new ATOM 0 HE2 LYS A 32 5.590 -18.355 4.503 1.00 3.41 H new ATOM 0 HE3 LYS A 32 6.371 -18.438 2.936 1.00 3.41 H new ATOM 0 HZ1 LYS A 32 7.080 -20.230 4.364 1.00 4.96 H new ATOM 0 HZ2 LYS A 32 8.391 -19.210 4.014 1.00 4.96 H new ATOM 0 HZ3 LYS A 32 7.635 -19.130 5.532 1.00 4.96 H new ATOM 522 N GLY A 33 6.213 -14.380 6.830 1.00 0.67 N ATOM 523 CA GLY A 33 6.451 -14.741 8.218 1.00 0.68 C ATOM 524 C GLY A 33 5.874 -13.643 9.102 1.00 0.56 C ATOM 525 O GLY A 33 5.221 -13.935 10.101 1.00 0.50 O ATOM 0 H GLY A 33 5.222 -14.326 6.593 1.00 0.67 H new ATOM 0 HA2 GLY A 33 5.983 -15.698 8.447 1.00 0.68 H new ATOM 0 HA3 GLY A 33 7.519 -14.856 8.403 1.00 0.68 H new ATOM 529 N GLU A 34 6.054 -12.391 8.675 1.00 0.55 N ATOM 530 CA GLU A 34 5.636 -11.207 9.408 1.00 0.45 C ATOM 531 C GLU A 34 4.336 -10.635 8.823 1.00 0.48 C ATOM 532 O GLU A 34 4.037 -10.810 7.641 1.00 0.71 O ATOM 533 CB GLU A 34 6.798 -10.203 9.377 1.00 0.53 C ATOM 534 CG GLU A 34 8.021 -10.753 10.127 1.00 0.93 C ATOM 535 CD GLU A 34 7.827 -10.676 11.633 1.00 2.11 C ATOM 536 OE1 GLU A 34 7.812 -9.530 12.132 1.00 3.28 O ATOM 537 OE2 GLU A 34 7.686 -11.749 12.255 1.00 2.96 O ATOM 0 H GLU A 34 6.506 -12.174 7.787 1.00 0.55 H new ATOM 0 HA GLU A 34 5.409 -11.450 10.446 1.00 0.45 H new ATOM 0 HB2 GLU A 34 7.068 -9.986 8.344 1.00 0.53 H new ATOM 0 HB3 GLU A 34 6.483 -9.262 9.829 1.00 0.53 H new ATOM 0 HG2 GLU A 34 8.195 -11.788 9.833 1.00 0.93 H new ATOM 0 HG3 GLU A 34 8.909 -10.188 9.843 1.00 0.93 H new ATOM 544 N VAL A 35 3.545 -9.964 9.665 1.00 0.40 N ATOM 545 CA VAL A 35 2.281 -9.319 9.312 1.00 0.53 C ATOM 546 C VAL A 35 2.561 -7.913 8.803 1.00 0.55 C ATOM 547 O VAL A 35 2.357 -6.911 9.484 1.00 0.63 O ATOM 548 CB VAL A 35 1.317 -9.392 10.506 1.00 0.60 C ATOM 549 CG1 VAL A 35 1.831 -8.808 11.833 1.00 0.59 C ATOM 550 CG2 VAL A 35 -0.053 -8.800 10.169 1.00 0.74 C ATOM 0 H VAL A 35 3.779 -9.852 10.651 1.00 0.40 H new ATOM 0 HA VAL A 35 1.779 -9.839 8.496 1.00 0.53 H new ATOM 0 HB VAL A 35 1.230 -10.464 10.683 1.00 0.60 H new ATOM 0 HG11 VAL A 35 1.064 -8.917 12.600 1.00 0.59 H new ATOM 0 HG12 VAL A 35 2.730 -9.341 12.141 1.00 0.59 H new ATOM 0 HG13 VAL A 35 2.063 -7.751 11.700 1.00 0.59 H new ATOM 0 HG21 VAL A 35 -0.704 -8.871 11.040 1.00 0.74 H new ATOM 0 HG22 VAL A 35 0.062 -7.753 9.887 1.00 0.74 H new ATOM 0 HG23 VAL A 35 -0.494 -9.353 9.340 1.00 0.74 H new ATOM 560 N TRP A 36 3.069 -7.854 7.581 1.00 0.61 N ATOM 561 CA TRP A 36 3.512 -6.620 6.986 1.00 0.59 C ATOM 562 C TRP A 36 2.307 -5.843 6.461 1.00 0.56 C ATOM 563 O TRP A 36 1.327 -6.420 5.984 1.00 0.57 O ATOM 564 CB TRP A 36 4.564 -6.941 5.924 1.00 0.61 C ATOM 565 CG TRP A 36 4.086 -7.721 4.744 1.00 0.59 C ATOM 566 CD1 TRP A 36 3.914 -9.058 4.652 1.00 0.65 C ATOM 567 CD2 TRP A 36 3.724 -7.184 3.450 1.00 0.52 C ATOM 568 NE1 TRP A 36 3.474 -9.376 3.386 1.00 0.64 N ATOM 569 CE2 TRP A 36 3.373 -8.254 2.582 1.00 0.57 C ATOM 570 CE3 TRP A 36 3.687 -5.881 2.930 1.00 0.46 C ATOM 571 CZ2 TRP A 36 3.000 -8.029 1.247 1.00 0.58 C ATOM 572 CZ3 TRP A 36 3.265 -5.639 1.615 1.00 0.45 C ATOM 573 CH2 TRP A 36 2.927 -6.706 0.774 1.00 0.52 C ATOM 0 H TRP A 36 3.182 -8.669 6.979 1.00 0.61 H new ATOM 0 HA TRP A 36 3.990 -5.968 7.717 1.00 0.59 H new ATOM 0 HB2 TRP A 36 4.989 -6.003 5.567 1.00 0.61 H new ATOM 0 HB3 TRP A 36 5.373 -7.497 6.398 1.00 0.61 H new ATOM 0 HD1 TRP A 36 4.093 -9.767 5.447 1.00 0.65 H new ATOM 0 HE1 TRP A 36 3.250 -10.322 3.079 1.00 0.64 H new ATOM 0 HE3 TRP A 36 3.988 -5.052 3.553 1.00 0.46 H new ATOM 0 HZ2 TRP A 36 2.773 -8.858 0.594 1.00 0.58 H new ATOM 0 HZ3 TRP A 36 3.200 -4.625 1.249 1.00 0.45 H new ATOM 0 HH2 TRP A 36 2.610 -6.513 -0.240 1.00 0.52 H new ATOM 584 N LEU A 37 2.353 -4.519 6.600 1.00 0.56 N ATOM 585 CA LEU A 37 1.273 -3.654 6.179 1.00 0.54 C ATOM 586 C LEU A 37 1.544 -3.203 4.747 1.00 0.48 C ATOM 587 O LEU A 37 2.693 -3.136 4.324 1.00 0.49 O ATOM 588 CB LEU A 37 1.150 -2.464 7.135 1.00 0.56 C ATOM 589 CG LEU A 37 1.040 -2.815 8.630 1.00 0.68 C ATOM 590 CD1 LEU A 37 0.564 -1.566 9.374 1.00 0.81 C ATOM 591 CD2 LEU A 37 0.050 -3.953 8.903 1.00 0.88 C ATOM 0 H LEU A 37 3.145 -4.024 7.009 1.00 0.56 H new ATOM 0 HA LEU A 37 0.323 -4.188 6.205 1.00 0.54 H new ATOM 0 HB2 LEU A 37 2.017 -1.819 6.995 1.00 0.56 H new ATOM 0 HB3 LEU A 37 0.272 -1.884 6.852 1.00 0.56 H new ATOM 0 HG LEU A 37 2.020 -3.149 8.969 1.00 0.68 H new ATOM 0 HD11 LEU A 37 0.477 -1.787 10.438 1.00 0.81 H new ATOM 0 HD12 LEU A 37 1.283 -0.760 9.228 1.00 0.81 H new ATOM 0 HD13 LEU A 37 -0.408 -1.260 8.987 1.00 0.81 H new ATOM 0 HD21 LEU A 37 0.015 -4.156 9.973 1.00 0.88 H new ATOM 0 HD22 LEU A 37 -0.942 -3.663 8.556 1.00 0.88 H new ATOM 0 HD23 LEU A 37 0.372 -4.850 8.374 1.00 0.88 H new ATOM 603 N ALA A 38 0.488 -2.897 4.002 1.00 0.48 N ATOM 604 CA ALA A 38 0.543 -2.420 2.638 1.00 0.49 C ATOM 605 C ALA A 38 -0.428 -1.258 2.514 1.00 0.55 C ATOM 606 O ALA A 38 -1.472 -1.238 3.165 1.00 0.92 O ATOM 607 CB ALA A 38 0.180 -3.556 1.682 1.00 0.57 C ATOM 0 H ALA A 38 -0.466 -2.980 4.353 1.00 0.48 H new ATOM 0 HA ALA A 38 1.546 -2.082 2.379 1.00 0.49 H new ATOM 0 HB1 ALA A 38 0.222 -3.194 0.655 1.00 0.57 H new ATOM 0 HB2 ALA A 38 0.887 -4.377 1.807 1.00 0.57 H new ATOM 0 HB3 ALA A 38 -0.828 -3.908 1.902 1.00 0.57 H new ATOM 613 N ASP A 39 -0.081 -0.306 1.662 1.00 0.63 N ATOM 614 CA ASP A 39 -0.937 0.765 1.195 1.00 0.78 C ATOM 615 C ASP A 39 -0.367 1.171 -0.157 1.00 0.80 C ATOM 616 O ASP A 39 0.577 0.547 -0.651 1.00 1.60 O ATOM 617 CB ASP A 39 -1.023 1.922 2.201 1.00 1.05 C ATOM 618 CG ASP A 39 0.326 2.561 2.462 1.00 1.82 C ATOM 619 OD1 ASP A 39 0.866 3.186 1.523 1.00 3.38 O ATOM 620 OD2 ASP A 39 0.833 2.394 3.589 1.00 2.20 O ATOM 0 H ASP A 39 0.855 -0.260 1.259 1.00 0.63 H new ATOM 0 HA ASP A 39 -1.974 0.445 1.093 1.00 0.78 H new ATOM 0 HB2 ASP A 39 -1.713 2.677 1.824 1.00 1.05 H new ATOM 0 HB3 ASP A 39 -1.435 1.554 3.140 1.00 1.05 H new ATOM 625 N PHE A 40 -0.997 2.135 -0.814 1.00 0.66 N ATOM 626 CA PHE A 40 -0.575 2.580 -2.122 1.00 0.70 C ATOM 627 C PHE A 40 -1.027 4.026 -2.276 1.00 0.72 C ATOM 628 O PHE A 40 -2.183 4.345 -1.997 1.00 0.92 O ATOM 629 CB PHE A 40 -1.115 1.620 -3.195 1.00 0.94 C ATOM 630 CG PHE A 40 -2.583 1.239 -3.075 1.00 0.94 C ATOM 631 CD1 PHE A 40 -2.955 0.139 -2.282 1.00 1.63 C ATOM 632 CD2 PHE A 40 -3.576 1.958 -3.766 1.00 2.32 C ATOM 633 CE1 PHE A 40 -4.293 -0.285 -2.235 1.00 1.78 C ATOM 634 CE2 PHE A 40 -4.915 1.531 -3.727 1.00 2.41 C ATOM 635 CZ PHE A 40 -5.271 0.397 -2.977 1.00 1.35 C ATOM 0 H PHE A 40 -1.814 2.626 -0.450 1.00 0.66 H new ATOM 0 HA PHE A 40 0.508 2.560 -2.245 1.00 0.70 H new ATOM 0 HB2 PHE A 40 -0.958 2.075 -4.173 1.00 0.94 H new ATOM 0 HB3 PHE A 40 -0.520 0.707 -3.169 1.00 0.94 H new ATOM 0 HD1 PHE A 40 -2.206 -0.384 -1.705 1.00 1.63 H new ATOM 0 HD2 PHE A 40 -3.309 2.841 -4.328 1.00 2.32 H new ATOM 0 HE1 PHE A 40 -4.570 -1.135 -1.629 1.00 1.78 H new ATOM 0 HE2 PHE A 40 -5.671 2.075 -4.274 1.00 2.41 H new ATOM 0 HZ PHE A 40 -6.294 0.051 -2.971 1.00 1.35 H new ATOM 645 N ILE A 41 -0.104 4.905 -2.674 1.00 0.67 N ATOM 646 CA ILE A 41 -0.362 6.322 -2.873 1.00 0.80 C ATOM 647 C ILE A 41 0.285 6.793 -4.174 1.00 0.70 C ATOM 648 O ILE A 41 1.345 6.296 -4.560 1.00 0.75 O ATOM 649 CB ILE A 41 0.106 7.162 -1.665 1.00 1.01 C ATOM 650 CG1 ILE A 41 1.631 7.311 -1.486 1.00 1.27 C ATOM 651 CG2 ILE A 41 -0.562 6.693 -0.364 1.00 1.33 C ATOM 652 CD1 ILE A 41 2.413 6.014 -1.246 1.00 1.62 C ATOM 0 H ILE A 41 0.861 4.640 -2.869 1.00 0.67 H new ATOM 0 HA ILE A 41 -1.439 6.468 -2.953 1.00 0.80 H new ATOM 0 HB ILE A 41 -0.230 8.170 -1.907 1.00 1.01 H new ATOM 0 HG12 ILE A 41 2.035 7.795 -2.375 1.00 1.27 H new ATOM 0 HG13 ILE A 41 1.814 7.982 -0.647 1.00 1.27 H new ATOM 0 HG21 ILE A 41 -0.211 7.305 0.467 1.00 1.33 H new ATOM 0 HG22 ILE A 41 -1.644 6.791 -0.455 1.00 1.33 H new ATOM 0 HG23 ILE A 41 -0.306 5.650 -0.179 1.00 1.33 H new ATOM 0 HD11 ILE A 41 3.473 6.243 -1.135 1.00 1.62 H new ATOM 0 HD12 ILE A 41 2.049 5.532 -0.338 1.00 1.62 H new ATOM 0 HD13 ILE A 41 2.274 5.343 -2.094 1.00 1.62 H new ATOM 664 N PHE A 42 -0.358 7.753 -4.836 1.00 0.67 N ATOM 665 CA PHE A 42 0.282 8.668 -5.768 1.00 0.79 C ATOM 666 C PHE A 42 0.526 9.964 -4.996 1.00 0.87 C ATOM 667 O PHE A 42 -0.032 10.166 -3.916 1.00 1.30 O ATOM 668 CB PHE A 42 -0.584 8.906 -7.028 1.00 0.95 C ATOM 669 CG PHE A 42 -2.098 8.890 -6.835 1.00 0.90 C ATOM 670 CD1 PHE A 42 -2.723 9.581 -5.776 1.00 2.04 C ATOM 671 CD2 PHE A 42 -2.897 8.165 -7.740 1.00 1.90 C ATOM 672 CE1 PHE A 42 -4.094 9.398 -5.523 1.00 1.86 C ATOM 673 CE2 PHE A 42 -4.264 7.972 -7.482 1.00 2.12 C ATOM 674 CZ PHE A 42 -4.854 8.548 -6.344 1.00 1.02 C ATOM 0 H PHE A 42 -1.360 7.917 -4.734 1.00 0.67 H new ATOM 0 HA PHE A 42 1.219 8.252 -6.138 1.00 0.79 H new ATOM 0 HB2 PHE A 42 -0.306 9.870 -7.454 1.00 0.95 H new ATOM 0 HB3 PHE A 42 -0.327 8.145 -7.765 1.00 0.95 H new ATOM 0 HD1 PHE A 42 -2.147 10.253 -5.157 1.00 2.04 H new ATOM 0 HD2 PHE A 42 -2.456 7.755 -8.637 1.00 1.90 H new ATOM 0 HE1 PHE A 42 -4.563 9.911 -4.697 1.00 1.86 H new ATOM 0 HE2 PHE A 42 -4.862 7.380 -8.159 1.00 2.12 H new ATOM 0 HZ PHE A 42 -5.885 8.339 -6.102 1.00 1.02 H new ATOM 684 N THR A 43 1.344 10.840 -5.563 1.00 0.90 N ATOM 685 CA THR A 43 1.534 12.209 -5.116 1.00 1.03 C ATOM 686 C THR A 43 1.007 13.147 -6.209 1.00 1.18 C ATOM 687 O THR A 43 0.191 14.028 -5.933 1.00 2.35 O ATOM 688 CB THR A 43 2.990 12.431 -4.666 1.00 1.35 C ATOM 689 OG1 THR A 43 3.317 13.802 -4.571 1.00 2.71 O ATOM 690 CG2 THR A 43 4.022 11.726 -5.538 1.00 2.30 C ATOM 0 H THR A 43 1.913 10.606 -6.376 1.00 0.90 H new ATOM 0 HA THR A 43 0.955 12.438 -4.221 1.00 1.03 H new ATOM 0 HB THR A 43 3.036 11.979 -3.675 1.00 1.35 H new ATOM 0 HG1 THR A 43 3.983 14.028 -5.254 1.00 2.71 H new ATOM 0 HG21 THR A 43 5.022 11.931 -5.156 1.00 2.30 H new ATOM 0 HG22 THR A 43 3.840 10.651 -5.520 1.00 2.30 H new ATOM 0 HG23 THR A 43 3.943 12.090 -6.562 1.00 2.30 H new ATOM 771 N CYS A 49 -4.988 17.925 -0.511 1.00 1.46 N ATOM 772 CA CYS A 49 -5.536 18.500 0.706 1.00 1.21 C ATOM 773 C CYS A 49 -5.773 17.454 1.802 1.00 1.03 C ATOM 774 O CYS A 49 -5.450 17.739 2.954 1.00 1.07 O ATOM 775 CB CYS A 49 -6.834 19.262 0.406 1.00 1.39 C ATOM 776 SG CYS A 49 -6.461 20.856 -0.366 1.00 2.43 S ATOM 0 HA CYS A 49 -4.789 19.197 1.087 1.00 1.21 H new ATOM 0 HB2 CYS A 49 -7.467 18.670 -0.254 1.00 1.39 H new ATOM 0 HB3 CYS A 49 -7.393 19.419 1.328 1.00 1.39 H new ATOM 0 HG CYS A 49 -7.570 21.487 -0.616 1.00 2.43 H new ATOM 782 N PRO A 50 -6.388 16.285 1.527 1.00 1.02 N ATOM 783 CA PRO A 50 -6.781 15.390 2.604 1.00 1.04 C ATOM 784 C PRO A 50 -5.557 14.777 3.301 1.00 0.89 C ATOM 785 O PRO A 50 -4.480 14.702 2.709 1.00 0.83 O ATOM 786 CB PRO A 50 -7.687 14.329 1.969 1.00 1.27 C ATOM 787 CG PRO A 50 -7.235 14.305 0.514 1.00 1.31 C ATOM 788 CD PRO A 50 -6.855 15.761 0.248 1.00 1.17 C ATOM 0 HA PRO A 50 -7.315 15.924 3.390 1.00 1.04 H new ATOM 0 HB2 PRO A 50 -7.562 13.356 2.445 1.00 1.27 H new ATOM 0 HB3 PRO A 50 -8.740 14.594 2.058 1.00 1.27 H new ATOM 0 HG2 PRO A 50 -6.389 13.634 0.365 1.00 1.31 H new ATOM 0 HG3 PRO A 50 -8.031 13.968 -0.150 1.00 1.31 H new ATOM 0 HD2 PRO A 50 -6.076 15.830 -0.512 1.00 1.17 H new ATOM 0 HD3 PRO A 50 -7.710 16.328 -0.119 1.00 1.17 H new ATOM 796 N PRO A 51 -5.723 14.339 4.561 1.00 0.94 N ATOM 797 CA PRO A 51 -4.665 13.768 5.384 1.00 0.93 C ATOM 798 C PRO A 51 -4.115 12.461 4.793 1.00 0.95 C ATOM 799 O PRO A 51 -4.546 11.371 5.166 1.00 1.09 O ATOM 800 CB PRO A 51 -5.281 13.613 6.784 1.00 1.06 C ATOM 801 CG PRO A 51 -6.787 13.575 6.540 1.00 1.20 C ATOM 802 CD PRO A 51 -6.958 14.467 5.320 1.00 1.14 C ATOM 0 HA PRO A 51 -3.785 14.409 5.429 1.00 0.93 H new ATOM 0 HB2 PRO A 51 -4.935 12.701 7.270 1.00 1.06 H new ATOM 0 HB3 PRO A 51 -5.005 14.444 7.433 1.00 1.06 H new ATOM 0 HG2 PRO A 51 -7.140 12.561 6.351 1.00 1.20 H new ATOM 0 HG3 PRO A 51 -7.345 13.952 7.397 1.00 1.20 H new ATOM 0 HD2 PRO A 51 -7.817 14.156 4.725 1.00 1.14 H new ATOM 0 HD3 PRO A 51 -7.131 15.502 5.613 1.00 1.14 H new ATOM 810 N MET A 52 -3.155 12.577 3.868 1.00 1.01 N ATOM 811 CA MET A 52 -2.667 11.464 3.066 1.00 1.01 C ATOM 812 C MET A 52 -1.720 10.583 3.891 1.00 0.96 C ATOM 813 O MET A 52 -2.110 9.505 4.335 1.00 1.04 O ATOM 814 CB MET A 52 -2.031 12.014 1.776 1.00 1.13 C ATOM 815 CG MET A 52 -1.998 11.002 0.625 1.00 1.45 C ATOM 816 SD MET A 52 -3.608 10.669 -0.138 1.00 1.99 S ATOM 817 CE MET A 52 -3.079 9.739 -1.593 1.00 2.19 C ATOM 0 H MET A 52 -2.693 13.462 3.657 1.00 1.01 H new ATOM 0 HA MET A 52 -3.491 10.815 2.769 1.00 1.01 H new ATOM 0 HB2 MET A 52 -2.585 12.897 1.456 1.00 1.13 H new ATOM 0 HB3 MET A 52 -1.013 12.338 1.993 1.00 1.13 H new ATOM 0 HG2 MET A 52 -1.316 11.368 -0.143 1.00 1.45 H new ATOM 0 HG3 MET A 52 -1.586 10.064 0.996 1.00 1.45 H new ATOM 0 HE1 MET A 52 -3.952 9.453 -2.179 1.00 2.19 H new ATOM 0 HE2 MET A 52 -2.420 10.359 -2.201 1.00 2.19 H new ATOM 0 HE3 MET A 52 -2.545 8.843 -1.278 1.00 2.19 H new ATOM 827 N THR A 53 -0.480 11.030 4.130 1.00 0.97 N ATOM 828 CA THR A 53 0.477 10.259 4.914 1.00 1.00 C ATOM 829 C THR A 53 0.019 10.101 6.361 1.00 0.84 C ATOM 830 O THR A 53 0.405 9.135 7.015 1.00 1.58 O ATOM 831 CB THR A 53 1.821 10.976 4.853 1.00 1.85 C ATOM 832 OG1 THR A 53 2.324 10.901 3.536 1.00 2.24 O ATOM 833 CG2 THR A 53 2.843 10.486 5.873 1.00 2.68 C ATOM 0 H THR A 53 -0.122 11.922 3.789 1.00 0.97 H new ATOM 0 HA THR A 53 0.561 9.255 4.499 1.00 1.00 H new ATOM 0 HB THR A 53 1.643 12.015 5.128 1.00 1.85 H new ATOM 0 HG1 THR A 53 2.449 11.806 3.182 1.00 2.24 H new ATOM 0 HG21 THR A 53 3.769 11.049 5.760 1.00 2.68 H new ATOM 0 HG22 THR A 53 2.451 10.631 6.880 1.00 2.68 H new ATOM 0 HG23 THR A 53 3.041 9.427 5.710 1.00 2.68 H new ATOM 841 N ALA A 54 -0.744 11.080 6.865 1.00 0.87 N ATOM 842 CA ALA A 54 -1.159 11.215 8.256 1.00 0.82 C ATOM 843 C ALA A 54 -1.381 9.868 8.942 1.00 0.68 C ATOM 844 O ALA A 54 -0.795 9.600 9.985 1.00 0.80 O ATOM 845 CB ALA A 54 -2.437 12.051 8.312 1.00 0.90 C ATOM 0 H ALA A 54 -1.103 11.834 6.279 1.00 0.87 H new ATOM 0 HA ALA A 54 -0.353 11.709 8.798 1.00 0.82 H new ATOM 0 HB1 ALA A 54 -2.756 12.158 9.349 1.00 0.90 H new ATOM 0 HB2 ALA A 54 -2.246 13.037 7.887 1.00 0.90 H new ATOM 0 HB3 ALA A 54 -3.221 11.555 7.740 1.00 0.90 H new ATOM 851 N HIS A 55 -2.216 9.019 8.345 1.00 0.57 N ATOM 852 CA HIS A 55 -2.588 7.742 8.928 1.00 0.58 C ATOM 853 C HIS A 55 -1.388 6.796 8.983 1.00 0.53 C ATOM 854 O HIS A 55 -0.977 6.394 10.065 1.00 0.53 O ATOM 855 CB HIS A 55 -3.788 7.177 8.167 1.00 0.65 C ATOM 856 CG HIS A 55 -4.896 8.192 8.066 1.00 0.73 C ATOM 857 ND1 HIS A 55 -5.331 8.798 6.909 1.00 0.92 N ATOM 858 CD2 HIS A 55 -5.464 8.856 9.122 1.00 0.79 C ATOM 859 CE1 HIS A 55 -6.171 9.780 7.269 1.00 1.01 C ATOM 860 NE2 HIS A 55 -6.281 9.863 8.603 1.00 0.90 N ATOM 0 H HIS A 55 -2.652 9.203 7.441 1.00 0.57 H new ATOM 0 HA HIS A 55 -2.896 7.873 9.965 1.00 0.58 H new ATOM 0 HB2 HIS A 55 -3.478 6.873 7.167 1.00 0.65 H new ATOM 0 HB3 HIS A 55 -4.155 6.284 8.672 1.00 0.65 H new ATOM 0 HD2 HIS A 55 -5.308 8.639 10.168 1.00 0.79 H new ATOM 0 HE1 HIS A 55 -6.692 10.422 6.574 1.00 1.01 H new ATOM 0 HE2 HIS A 55 -6.847 10.527 9.132 1.00 0.90 H new ATOM 868 N MET A 56 -0.796 6.461 7.835 1.00 0.54 N ATOM 869 CA MET A 56 0.465 5.733 7.760 1.00 0.54 C ATOM 870 C MET A 56 1.508 6.212 8.787 1.00 0.56 C ATOM 871 O MET A 56 2.058 5.401 9.530 1.00 0.65 O ATOM 872 CB MET A 56 0.997 5.767 6.322 1.00 0.58 C ATOM 873 CG MET A 56 0.222 4.863 5.345 1.00 0.75 C ATOM 874 SD MET A 56 -1.455 5.326 4.838 1.00 1.48 S ATOM 875 CE MET A 56 -1.075 6.563 3.583 1.00 2.07 C ATOM 0 H MET A 56 -1.187 6.692 6.922 1.00 0.54 H new ATOM 0 HA MET A 56 0.267 4.697 8.033 1.00 0.54 H new ATOM 0 HB2 MET A 56 0.962 6.793 5.957 1.00 0.58 H new ATOM 0 HB3 MET A 56 2.045 5.466 6.326 1.00 0.58 H new ATOM 0 HG2 MET A 56 0.823 4.770 4.440 1.00 0.75 H new ATOM 0 HG3 MET A 56 0.165 3.871 5.793 1.00 0.75 H new ATOM 0 HE1 MET A 56 -1.968 7.151 3.370 1.00 2.07 H new ATOM 0 HE2 MET A 56 -0.286 7.221 3.948 1.00 2.07 H new ATOM 0 HE3 MET A 56 -0.741 6.066 2.672 1.00 2.07 H new ATOM 885 N THR A 57 1.789 7.515 8.871 1.00 0.56 N ATOM 886 CA THR A 57 2.824 8.015 9.773 1.00 0.61 C ATOM 887 C THR A 57 2.383 7.924 11.228 1.00 0.56 C ATOM 888 O THR A 57 3.153 7.512 12.096 1.00 0.61 O ATOM 889 CB THR A 57 3.359 9.376 9.348 1.00 0.81 C ATOM 890 OG1 THR A 57 4.534 9.716 10.049 1.00 2.65 O ATOM 891 CG2 THR A 57 2.347 10.477 9.548 1.00 1.84 C ATOM 0 H THR A 57 1.316 8.237 8.328 1.00 0.56 H new ATOM 0 HA THR A 57 3.689 7.357 9.694 1.00 0.61 H new ATOM 0 HB THR A 57 3.580 9.286 8.284 1.00 0.81 H new ATOM 0 HG1 THR A 57 4.383 10.538 10.561 1.00 2.65 H new ATOM 0 HG21 THR A 57 2.776 11.427 9.230 1.00 1.84 H new ATOM 0 HG22 THR A 57 1.457 10.265 8.956 1.00 1.84 H new ATOM 0 HG23 THR A 57 2.076 10.535 10.602 1.00 1.84 H new ATOM 899 N ASP A 58 1.114 8.235 11.504 1.00 0.53 N ATOM 900 CA ASP A 58 0.546 7.976 12.814 1.00 0.57 C ATOM 901 C ASP A 58 0.739 6.503 13.184 1.00 0.58 C ATOM 902 O ASP A 58 1.000 6.153 14.340 1.00 0.74 O ATOM 903 CB ASP A 58 -0.932 8.338 12.866 1.00 0.67 C ATOM 904 CG ASP A 58 -1.528 7.913 14.195 1.00 1.68 C ATOM 905 OD1 ASP A 58 -0.970 8.285 15.249 1.00 2.64 O ATOM 906 OD2 ASP A 58 -2.404 7.021 14.175 1.00 3.04 O ATOM 0 H ASP A 58 0.471 8.663 10.838 1.00 0.53 H new ATOM 0 HA ASP A 58 1.068 8.604 13.536 1.00 0.57 H new ATOM 0 HB2 ASP A 58 -1.056 9.412 12.730 1.00 0.67 H new ATOM 0 HB3 ASP A 58 -1.463 7.850 12.048 1.00 0.67 H new ATOM 911 N LEU A 59 0.595 5.640 12.187 1.00 0.53 N ATOM 912 CA LEU A 59 0.793 4.214 12.368 1.00 0.54 C ATOM 913 C LEU A 59 2.259 3.883 12.602 1.00 0.63 C ATOM 914 O LEU A 59 2.527 3.022 13.425 1.00 0.76 O ATOM 915 CB LEU A 59 0.184 3.375 11.230 1.00 0.56 C ATOM 916 CG LEU A 59 -0.833 2.372 11.794 1.00 0.92 C ATOM 917 CD1 LEU A 59 -2.160 3.101 11.993 1.00 1.32 C ATOM 918 CD2 LEU A 59 -1.016 1.177 10.856 1.00 1.23 C ATOM 0 H LEU A 59 0.339 5.910 11.237 1.00 0.53 H new ATOM 0 HA LEU A 59 0.246 3.935 13.268 1.00 0.54 H new ATOM 0 HB2 LEU A 59 -0.303 4.029 10.507 1.00 0.56 H new ATOM 0 HB3 LEU A 59 0.973 2.843 10.698 1.00 0.56 H new ATOM 0 HG LEU A 59 -0.468 1.981 12.744 1.00 0.92 H new ATOM 0 HD11 LEU A 59 -2.900 2.408 12.394 1.00 1.32 H new ATOM 0 HD12 LEU A 59 -2.021 3.926 12.691 1.00 1.32 H new ATOM 0 HD13 LEU A 59 -2.508 3.490 11.036 1.00 1.32 H new ATOM 0 HD21 LEU A 59 -1.742 0.486 11.284 1.00 1.23 H new ATOM 0 HD22 LEU A 59 -1.375 1.526 9.888 1.00 1.23 H new ATOM 0 HD23 LEU A 59 -0.062 0.666 10.727 1.00 1.23 H new ATOM 930 N GLN A 60 3.201 4.577 11.939 1.00 0.65 N ATOM 931 CA GLN A 60 4.644 4.400 12.087 1.00 0.73 C ATOM 932 C GLN A 60 5.043 4.318 13.565 1.00 0.79 C ATOM 933 O GLN A 60 5.959 3.588 13.943 1.00 0.79 O ATOM 934 CB GLN A 60 5.400 5.547 11.391 1.00 0.91 C ATOM 935 CG GLN A 60 6.848 5.178 11.036 1.00 1.00 C ATOM 936 CD GLN A 60 6.913 4.142 9.918 1.00 1.41 C ATOM 937 OE1 GLN A 60 6.005 4.037 9.101 1.00 3.16 O ATOM 938 NE2 GLN A 60 7.974 3.350 9.868 1.00 1.48 N ATOM 0 H GLN A 60 2.962 5.302 11.262 1.00 0.65 H new ATOM 0 HA GLN A 60 4.918 3.458 11.611 1.00 0.73 H new ATOM 0 HB2 GLN A 60 4.868 5.827 10.482 1.00 0.91 H new ATOM 0 HB3 GLN A 60 5.402 6.422 12.041 1.00 0.91 H new ATOM 0 HG2 GLN A 60 7.387 6.075 10.731 1.00 1.00 H new ATOM 0 HG3 GLN A 60 7.351 4.789 11.921 1.00 1.00 H new ATOM 0 HE21 GLN A 60 8.720 3.452 10.556 1.00 1.48 H new ATOM 0 HE22 GLN A 60 8.045 2.638 9.141 1.00 1.48 H new ATOM 947 N LYS A 61 4.329 5.071 14.402 1.00 0.90 N ATOM 948 CA LYS A 61 4.492 5.036 15.840 1.00 1.05 C ATOM 949 C LYS A 61 4.158 3.647 16.398 1.00 1.01 C ATOM 950 O LYS A 61 5.027 2.981 16.956 1.00 1.07 O ATOM 951 CB LYS A 61 3.644 6.154 16.450 1.00 1.15 C ATOM 952 CG LYS A 61 3.918 6.367 17.943 1.00 1.21 C ATOM 953 CD LYS A 61 3.211 7.637 18.448 1.00 1.29 C ATOM 954 CE LYS A 61 3.922 8.928 17.998 1.00 1.88 C ATOM 955 NZ LYS A 61 3.124 10.136 18.294 1.00 2.38 N ATOM 0 H LYS A 61 3.615 5.728 14.088 1.00 0.90 H new ATOM 0 HA LYS A 61 5.533 5.213 16.112 1.00 1.05 H new ATOM 0 HB2 LYS A 61 3.838 7.083 15.914 1.00 1.15 H new ATOM 0 HB3 LYS A 61 2.589 5.920 16.310 1.00 1.15 H new ATOM 0 HG2 LYS A 61 3.572 5.502 18.509 1.00 1.21 H new ATOM 0 HG3 LYS A 61 4.991 6.450 18.113 1.00 1.21 H new ATOM 0 HD2 LYS A 61 2.184 7.646 18.084 1.00 1.29 H new ATOM 0 HD3 LYS A 61 3.163 7.613 19.537 1.00 1.29 H new ATOM 0 HE2 LYS A 61 4.888 9.002 18.497 1.00 1.88 H new ATOM 0 HE3 LYS A 61 4.119 8.878 16.927 1.00 1.88 H new ATOM 0 HZ1 LYS A 61 3.641 10.980 17.974 1.00 2.38 H new ATOM 0 HZ2 LYS A 61 2.212 10.080 17.798 1.00 2.38 H new ATOM 0 HZ3 LYS A 61 2.957 10.199 19.319 1.00 2.38 H new ATOM 969 N LYS A 62 2.902 3.208 16.249 1.00 0.97 N ATOM 970 CA LYS A 62 2.446 1.906 16.737 1.00 0.98 C ATOM 971 C LYS A 62 3.298 0.795 16.127 1.00 0.90 C ATOM 972 O LYS A 62 3.653 -0.153 16.816 1.00 0.97 O ATOM 973 CB LYS A 62 0.954 1.683 16.430 1.00 1.03 C ATOM 974 CG LYS A 62 0.010 2.306 17.473 1.00 1.59 C ATOM 975 CD LYS A 62 -0.162 3.828 17.365 1.00 2.90 C ATOM 976 CE LYS A 62 -1.123 4.200 16.228 1.00 4.39 C ATOM 977 NZ LYS A 62 -1.124 5.649 15.951 1.00 6.42 N ATOM 0 H LYS A 62 2.173 3.750 15.785 1.00 0.97 H new ATOM 0 HA LYS A 62 2.562 1.886 17.821 1.00 0.98 H new ATOM 0 HB2 LYS A 62 0.727 2.103 15.450 1.00 1.03 H new ATOM 0 HB3 LYS A 62 0.760 0.612 16.371 1.00 1.03 H new ATOM 0 HG2 LYS A 62 -0.970 1.837 17.380 1.00 1.59 H new ATOM 0 HG3 LYS A 62 0.385 2.067 18.468 1.00 1.59 H new ATOM 0 HD2 LYS A 62 -0.541 4.221 18.308 1.00 2.90 H new ATOM 0 HD3 LYS A 62 0.808 4.295 17.192 1.00 2.90 H new ATOM 0 HE2 LYS A 62 -0.841 3.659 15.325 1.00 4.39 H new ATOM 0 HE3 LYS A 62 -2.132 3.881 16.488 1.00 4.39 H new ATOM 0 HZ1 LYS A 62 -1.969 5.896 15.398 1.00 6.42 H new ATOM 0 HZ2 LYS A 62 -1.132 6.174 16.849 1.00 6.42 H new ATOM 0 HZ3 LYS A 62 -0.271 5.900 15.411 1.00 6.42 H new ATOM 991 N LEU A 63 3.669 0.951 14.857 1.00 0.78 N ATOM 992 CA LEU A 63 4.605 0.108 14.134 1.00 0.64 C ATOM 993 C LEU A 63 5.786 -0.301 15.006 1.00 0.80 C ATOM 994 O LEU A 63 6.191 -1.453 14.946 1.00 0.76 O ATOM 995 CB LEU A 63 5.101 0.824 12.878 1.00 0.65 C ATOM 996 CG LEU A 63 4.861 0.065 11.572 1.00 0.76 C ATOM 997 CD1 LEU A 63 5.548 -1.300 11.540 1.00 0.94 C ATOM 998 CD2 LEU A 63 3.372 -0.042 11.224 1.00 1.02 C ATOM 0 H LEU A 63 3.303 1.709 14.280 1.00 0.78 H new ATOM 0 HA LEU A 63 4.076 -0.800 13.845 1.00 0.64 H new ATOM 0 HB2 LEU A 63 4.611 1.796 12.813 1.00 0.65 H new ATOM 0 HB3 LEU A 63 6.170 1.012 12.982 1.00 0.65 H new ATOM 0 HG LEU A 63 5.330 0.665 10.793 1.00 0.76 H new ATOM 0 HD11 LEU A 63 5.340 -1.790 10.588 1.00 0.94 H new ATOM 0 HD12 LEU A 63 6.624 -1.168 11.653 1.00 0.94 H new ATOM 0 HD13 LEU A 63 5.170 -1.917 12.355 1.00 0.94 H new ATOM 0 HD21 LEU A 63 3.255 -0.589 10.289 1.00 1.02 H new ATOM 0 HD22 LEU A 63 2.849 -0.570 12.021 1.00 1.02 H new ATOM 0 HD23 LEU A 63 2.951 0.958 11.114 1.00 1.02 H new ATOM 1010 N LYS A 64 6.341 0.598 15.829 1.00 1.03 N ATOM 1011 CA LYS A 64 7.469 0.238 16.686 1.00 1.20 C ATOM 1012 C LYS A 64 7.167 -0.998 17.550 1.00 1.26 C ATOM 1013 O LYS A 64 8.051 -1.815 17.792 1.00 1.37 O ATOM 1014 CB LYS A 64 7.891 1.421 17.567 1.00 1.48 C ATOM 1015 CG LYS A 64 8.404 2.641 16.786 1.00 1.58 C ATOM 1016 CD LYS A 64 9.617 2.322 15.893 1.00 1.54 C ATOM 1017 CE LYS A 64 9.189 2.227 14.421 1.00 2.14 C ATOM 1018 NZ LYS A 64 10.275 1.768 13.537 1.00 2.45 N ATOM 0 H LYS A 64 6.030 1.566 15.917 1.00 1.03 H new ATOM 0 HA LYS A 64 8.299 -0.018 16.028 1.00 1.20 H new ATOM 0 HB2 LYS A 64 7.041 1.726 18.177 1.00 1.48 H new ATOM 0 HB3 LYS A 64 8.671 1.089 18.252 1.00 1.48 H new ATOM 0 HG2 LYS A 64 7.598 3.033 16.166 1.00 1.58 H new ATOM 0 HG3 LYS A 64 8.676 3.427 17.490 1.00 1.58 H new ATOM 0 HD2 LYS A 64 10.375 3.097 16.008 1.00 1.54 H new ATOM 0 HD3 LYS A 64 10.071 1.382 16.208 1.00 1.54 H new ATOM 0 HE2 LYS A 64 8.345 1.543 14.337 1.00 2.14 H new ATOM 0 HE3 LYS A 64 8.842 3.204 14.085 1.00 2.14 H new ATOM 0 HZ1 LYS A 64 9.994 1.899 12.544 1.00 2.45 H new ATOM 0 HZ2 LYS A 64 11.135 2.320 13.729 1.00 2.45 H new ATOM 0 HZ3 LYS A 64 10.464 0.761 13.713 1.00 2.45 H new ATOM 1032 N ALA A 65 5.922 -1.138 18.009 1.00 1.25 N ATOM 1033 CA ALA A 65 5.461 -2.290 18.777 1.00 1.34 C ATOM 1034 C ALA A 65 5.304 -3.547 17.917 1.00 1.21 C ATOM 1035 O ALA A 65 5.504 -4.659 18.402 1.00 1.36 O ATOM 1036 CB ALA A 65 4.143 -1.940 19.476 1.00 1.46 C ATOM 0 H ALA A 65 5.195 -0.440 17.853 1.00 1.25 H new ATOM 0 HA ALA A 65 6.223 -2.522 19.521 1.00 1.34 H new ATOM 0 HB1 ALA A 65 3.796 -2.799 20.050 1.00 1.46 H new ATOM 0 HB2 ALA A 65 4.300 -1.095 20.146 1.00 1.46 H new ATOM 0 HB3 ALA A 65 3.394 -1.677 18.729 1.00 1.46 H new ATOM 1042 N GLU A 66 4.961 -3.368 16.642 1.00 0.96 N ATOM 1043 CA GLU A 66 4.700 -4.438 15.698 1.00 0.87 C ATOM 1044 C GLU A 66 5.999 -4.813 14.985 1.00 0.74 C ATOM 1045 O GLU A 66 6.060 -5.839 14.320 1.00 0.72 O ATOM 1046 CB GLU A 66 3.640 -3.986 14.680 1.00 0.79 C ATOM 1047 CG GLU A 66 2.442 -3.245 15.295 1.00 0.98 C ATOM 1048 CD GLU A 66 1.719 -4.069 16.351 1.00 1.26 C ATOM 1049 OE1 GLU A 66 1.256 -5.170 15.984 1.00 2.53 O ATOM 1050 OE2 GLU A 66 1.624 -3.573 17.495 1.00 1.47 O ATOM 0 H GLU A 66 4.855 -2.441 16.230 1.00 0.96 H new ATOM 0 HA GLU A 66 4.322 -5.312 16.229 1.00 0.87 H new ATOM 0 HB2 GLU A 66 4.114 -3.336 13.944 1.00 0.79 H new ATOM 0 HB3 GLU A 66 3.273 -4.861 14.143 1.00 0.79 H new ATOM 0 HG2 GLU A 66 2.787 -2.313 15.742 1.00 0.98 H new ATOM 0 HG3 GLU A 66 1.740 -2.979 14.505 1.00 0.98 H new ATOM 1057 N ASN A 67 7.014 -3.943 15.087 1.00 0.73 N ATOM 1058 CA ASN A 67 8.134 -3.798 14.185 1.00 0.64 C ATOM 1059 C ASN A 67 8.753 -5.120 13.796 1.00 0.92 C ATOM 1060 O ASN A 67 9.139 -5.237 12.642 1.00 1.64 O ATOM 1061 CB ASN A 67 9.192 -2.874 14.805 1.00 0.84 C ATOM 1062 CG ASN A 67 10.042 -2.171 13.751 1.00 1.37 C ATOM 1063 OD1 ASN A 67 10.170 -0.943 13.758 1.00 2.23 O ATOM 1064 ND2 ASN A 67 10.617 -2.921 12.824 1.00 1.92 N ATOM 0 H ASN A 67 7.064 -3.281 15.862 1.00 0.73 H new ATOM 0 HA ASN A 67 7.748 -3.353 13.268 1.00 0.64 H new ATOM 0 HB2 ASN A 67 8.698 -2.127 15.427 1.00 0.84 H new ATOM 0 HB3 ASN A 67 9.840 -3.456 15.460 1.00 0.84 H new ATOM 0 HD21 ASN A 67 11.181 -2.486 12.094 1.00 1.92 H new ATOM 0 HD22 ASN A 67 10.496 -3.934 12.840 1.00 1.92 H new ATOM 1071 N ILE A 68 8.894 -6.033 14.765 1.00 0.71 N ATOM 1072 CA ILE A 68 9.663 -7.292 14.699 1.00 0.82 C ATOM 1073 C ILE A 68 10.503 -7.381 13.403 1.00 0.78 C ATOM 1074 O ILE A 68 11.626 -6.878 13.406 1.00 0.84 O ATOM 1075 CB ILE A 68 8.789 -8.524 15.033 1.00 0.97 C ATOM 1076 CG1 ILE A 68 8.339 -8.575 16.513 1.00 1.08 C ATOM 1077 CG2 ILE A 68 9.565 -9.835 14.806 1.00 1.04 C ATOM 1078 CD1 ILE A 68 7.243 -7.590 16.932 1.00 1.21 C ATOM 0 H ILE A 68 8.448 -5.909 15.674 1.00 0.71 H new ATOM 0 HA ILE A 68 10.410 -7.290 15.493 1.00 0.82 H new ATOM 0 HB ILE A 68 7.926 -8.427 14.375 1.00 0.97 H new ATOM 0 HG12 ILE A 68 7.990 -9.585 16.728 1.00 1.08 H new ATOM 0 HG13 ILE A 68 9.213 -8.400 17.141 1.00 1.08 H new ATOM 0 HG21 ILE A 68 8.925 -10.683 15.049 1.00 1.04 H new ATOM 0 HG22 ILE A 68 9.873 -9.900 13.762 1.00 1.04 H new ATOM 0 HG23 ILE A 68 10.447 -9.851 15.446 1.00 1.04 H new ATOM 0 HD11 ILE A 68 7.017 -7.725 17.990 1.00 1.21 H new ATOM 0 HD12 ILE A 68 7.586 -6.570 16.762 1.00 1.21 H new ATOM 0 HD13 ILE A 68 6.344 -7.773 16.343 1.00 1.21 H new ATOM 1090 N ASP A 69 9.955 -7.891 12.287 1.00 0.80 N ATOM 1091 CA ASP A 69 10.277 -7.382 10.950 1.00 0.78 C ATOM 1092 C ASP A 69 9.017 -7.291 10.081 1.00 0.74 C ATOM 1093 O ASP A 69 8.994 -7.671 8.910 1.00 1.03 O ATOM 1094 CB ASP A 69 11.405 -8.149 10.279 1.00 1.00 C ATOM 1095 CG ASP A 69 11.847 -7.477 8.975 1.00 1.11 C ATOM 1096 OD1 ASP A 69 11.736 -6.238 8.851 1.00 1.98 O ATOM 1097 OD2 ASP A 69 12.278 -8.190 8.045 1.00 1.84 O ATOM 0 H ASP A 69 9.284 -8.659 12.289 1.00 0.80 H new ATOM 0 HA ASP A 69 10.660 -6.369 11.073 1.00 0.78 H new ATOM 0 HB2 ASP A 69 12.254 -8.218 10.959 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.079 -9.168 10.071 1.00 1.00 H new ATOM 1102 N VAL A 70 7.965 -6.714 10.657 1.00 0.55 N ATOM 1103 CA VAL A 70 6.865 -6.185 9.875 1.00 0.48 C ATOM 1104 C VAL A 70 7.360 -4.835 9.355 1.00 0.44 C ATOM 1105 O VAL A 70 7.815 -3.993 10.130 1.00 0.59 O ATOM 1106 CB VAL A 70 5.545 -6.077 10.676 1.00 0.50 C ATOM 1107 CG1 VAL A 70 5.284 -7.267 11.609 1.00 0.61 C ATOM 1108 CG2 VAL A 70 5.392 -4.775 11.464 1.00 0.50 C ATOM 0 H VAL A 70 7.857 -6.604 11.665 1.00 0.55 H new ATOM 0 HA VAL A 70 6.603 -6.856 9.057 1.00 0.48 H new ATOM 0 HB VAL A 70 4.789 -6.085 9.891 1.00 0.50 H new ATOM 0 HG11 VAL A 70 4.341 -7.117 12.135 1.00 0.61 H new ATOM 0 HG12 VAL A 70 5.231 -8.184 11.023 1.00 0.61 H new ATOM 0 HG13 VAL A 70 6.095 -7.346 12.333 1.00 0.61 H new ATOM 0 HG21 VAL A 70 4.441 -4.781 11.996 1.00 0.50 H new ATOM 0 HG22 VAL A 70 6.208 -4.686 12.181 1.00 0.50 H new ATOM 0 HG23 VAL A 70 5.418 -3.929 10.777 1.00 0.50 H new ATOM 1118 N ARG A 71 7.279 -4.609 8.048 1.00 0.45 N ATOM 1119 CA ARG A 71 7.495 -3.299 7.463 1.00 0.38 C ATOM 1120 C ARG A 71 6.207 -2.908 6.771 1.00 0.48 C ATOM 1121 O ARG A 71 5.490 -3.755 6.245 1.00 0.73 O ATOM 1122 CB ARG A 71 8.723 -3.302 6.544 1.00 0.51 C ATOM 1123 CG ARG A 71 9.947 -2.935 7.393 1.00 0.63 C ATOM 1124 CD ARG A 71 11.272 -3.243 6.700 1.00 0.62 C ATOM 1125 NE ARG A 71 11.501 -4.694 6.677 1.00 0.70 N ATOM 1126 CZ ARG A 71 11.525 -5.511 5.614 1.00 0.66 C ATOM 1127 NH1 ARG A 71 11.381 -5.033 4.366 1.00 0.64 N ATOM 1128 NH2 ARG A 71 11.690 -6.824 5.822 1.00 0.83 N ATOM 0 H ARG A 71 7.061 -5.335 7.366 1.00 0.45 H new ATOM 0 HA ARG A 71 7.726 -2.550 8.220 1.00 0.38 H new ATOM 0 HB2 ARG A 71 8.855 -4.283 6.087 1.00 0.51 H new ATOM 0 HB3 ARG A 71 8.594 -2.587 5.732 1.00 0.51 H new ATOM 0 HG2 ARG A 71 9.909 -1.873 7.634 1.00 0.63 H new ATOM 0 HG3 ARG A 71 9.903 -3.478 8.337 1.00 0.63 H new ATOM 0 HD2 ARG A 71 11.259 -2.852 5.683 1.00 0.62 H new ATOM 0 HD3 ARG A 71 12.089 -2.746 7.222 1.00 0.62 H new ATOM 0 HE ARG A 71 11.662 -5.135 7.583 1.00 0.70 H new ATOM 0 HH11 ARG A 71 11.251 -4.033 4.215 1.00 0.64 H new ATOM 0 HH12 ARG A 71 11.402 -5.671 3.570 1.00 0.64 H new ATOM 0 HH21 ARG A 71 11.794 -7.181 6.772 1.00 0.83 H new ATOM 0 HH22 ARG A 71 11.712 -7.467 5.030 1.00 0.83 H new ATOM 1142 N ILE A 72 5.893 -1.619 6.831 1.00 0.38 N ATOM 1143 CA ILE A 72 4.790 -1.066 6.086 1.00 0.37 C ATOM 1144 C ILE A 72 5.343 -0.783 4.690 1.00 0.31 C ATOM 1145 O ILE A 72 6.262 0.024 4.542 1.00 0.36 O ATOM 1146 CB ILE A 72 4.191 0.138 6.835 1.00 0.42 C ATOM 1147 CG1 ILE A 72 3.140 0.847 5.971 1.00 0.48 C ATOM 1148 CG2 ILE A 72 5.219 1.130 7.401 1.00 0.47 C ATOM 1149 CD1 ILE A 72 2.527 1.993 6.757 1.00 1.26 C ATOM 0 H ILE A 72 6.399 -0.938 7.397 1.00 0.38 H new ATOM 0 HA ILE A 72 3.939 -1.739 5.982 1.00 0.37 H new ATOM 0 HB ILE A 72 3.708 -0.283 7.717 1.00 0.42 H new ATOM 0 HG12 ILE A 72 3.599 1.224 5.057 1.00 0.48 H new ATOM 0 HG13 ILE A 72 2.365 0.142 5.671 1.00 0.48 H new ATOM 0 HG21 ILE A 72 4.699 1.942 7.910 1.00 0.47 H new ATOM 0 HG22 ILE A 72 5.870 0.616 8.108 1.00 0.47 H new ATOM 0 HG23 ILE A 72 5.818 1.537 6.587 1.00 0.47 H new ATOM 0 HD11 ILE A 72 1.780 2.497 6.143 1.00 1.26 H new ATOM 0 HD12 ILE A 72 2.053 1.604 7.658 1.00 1.26 H new ATOM 0 HD13 ILE A 72 3.307 2.702 7.034 1.00 1.26 H new ATOM 1161 N ILE A 73 4.878 -1.524 3.684 1.00 0.31 N ATOM 1162 CA ILE A 73 5.277 -1.331 2.305 1.00 0.31 C ATOM 1163 C ILE A 73 4.263 -0.404 1.660 1.00 0.36 C ATOM 1164 O ILE A 73 3.079 -0.451 1.983 1.00 0.52 O ATOM 1165 CB ILE A 73 5.368 -2.705 1.611 1.00 0.35 C ATOM 1166 CG1 ILE A 73 6.779 -3.301 1.707 1.00 0.37 C ATOM 1167 CG2 ILE A 73 4.930 -2.687 0.137 1.00 0.42 C ATOM 1168 CD1 ILE A 73 7.195 -3.616 3.146 1.00 0.36 C ATOM 0 H ILE A 73 4.207 -2.281 3.813 1.00 0.31 H new ATOM 0 HA ILE A 73 6.261 -0.871 2.219 1.00 0.31 H new ATOM 0 HB ILE A 73 4.664 -3.334 2.156 1.00 0.35 H new ATOM 0 HG12 ILE A 73 6.824 -4.214 1.113 1.00 0.37 H new ATOM 0 HG13 ILE A 73 7.494 -2.602 1.272 1.00 0.37 H new ATOM 0 HG21 ILE A 73 5.022 -3.689 -0.282 1.00 0.42 H new ATOM 0 HG22 ILE A 73 3.893 -2.359 0.070 1.00 0.42 H new ATOM 0 HG23 ILE A 73 5.565 -2.000 -0.423 1.00 0.42 H new ATOM 0 HD11 ILE A 73 8.201 -4.035 3.150 1.00 0.36 H new ATOM 0 HD12 ILE A 73 7.180 -2.701 3.738 1.00 0.36 H new ATOM 0 HD13 ILE A 73 6.500 -4.337 3.576 1.00 0.36 H new ATOM 1180 N SER A 74 4.722 0.416 0.721 1.00 0.37 N ATOM 1181 CA SER A 74 3.837 1.313 0.007 1.00 0.40 C ATOM 1182 C SER A 74 4.312 1.407 -1.433 1.00 0.43 C ATOM 1183 O SER A 74 5.319 2.067 -1.680 1.00 0.47 O ATOM 1184 CB SER A 74 3.938 2.687 0.661 1.00 0.42 C ATOM 1185 OG SER A 74 3.427 2.640 1.969 1.00 1.41 O ATOM 0 H SER A 74 5.701 0.474 0.441 1.00 0.37 H new ATOM 0 HA SER A 74 2.808 0.956 0.034 1.00 0.40 H new ATOM 0 HB2 SER A 74 4.978 3.013 0.680 1.00 0.42 H new ATOM 0 HB3 SER A 74 3.385 3.419 0.073 1.00 0.42 H new ATOM 0 HG SER A 74 2.601 3.166 2.017 1.00 1.41 H new ATOM 1191 N PHE A 75 3.643 0.755 -2.387 1.00 0.62 N ATOM 1192 CA PHE A 75 4.045 0.904 -3.781 1.00 0.77 C ATOM 1193 C PHE A 75 3.511 2.213 -4.357 1.00 0.67 C ATOM 1194 O PHE A 75 2.547 2.782 -3.840 1.00 0.70 O ATOM 1195 CB PHE A 75 3.676 -0.319 -4.623 1.00 1.12 C ATOM 1196 CG PHE A 75 2.228 -0.754 -4.580 1.00 0.75 C ATOM 1197 CD1 PHE A 75 1.310 -0.225 -5.505 1.00 1.97 C ATOM 1198 CD2 PHE A 75 1.877 -1.882 -3.815 1.00 1.58 C ATOM 1199 CE1 PHE A 75 0.102 -0.900 -5.760 1.00 1.96 C ATOM 1200 CE2 PHE A 75 0.700 -2.586 -4.110 1.00 1.70 C ATOM 1201 CZ PHE A 75 -0.170 -2.114 -5.107 1.00 0.98 C ATOM 0 H PHE A 75 2.846 0.139 -2.226 1.00 0.62 H new ATOM 0 HA PHE A 75 5.133 0.959 -3.816 1.00 0.77 H new ATOM 0 HB2 PHE A 75 3.940 -0.112 -5.660 1.00 1.12 H new ATOM 0 HB3 PHE A 75 4.294 -1.156 -4.298 1.00 1.12 H new ATOM 0 HD1 PHE A 75 1.532 0.698 -6.019 1.00 1.97 H new ATOM 0 HD2 PHE A 75 2.512 -2.205 -3.003 1.00 1.58 H new ATOM 0 HE1 PHE A 75 -0.614 -0.486 -6.455 1.00 1.96 H new ATOM 0 HE2 PHE A 75 0.463 -3.491 -3.571 1.00 1.70 H new ATOM 0 HZ PHE A 75 -1.048 -2.684 -5.372 1.00 0.98 H new ATOM 1211 N SER A 76 4.127 2.689 -5.443 1.00 0.66 N ATOM 1212 CA SER A 76 3.690 3.918 -6.077 1.00 0.64 C ATOM 1213 C SER A 76 2.422 3.606 -6.861 1.00 0.65 C ATOM 1214 O SER A 76 2.378 2.624 -7.608 1.00 0.70 O ATOM 1215 CB SER A 76 4.790 4.457 -7.001 1.00 0.76 C ATOM 1216 OG SER A 76 4.363 5.661 -7.614 1.00 1.78 O ATOM 0 H SER A 76 4.924 2.239 -5.893 1.00 0.66 H new ATOM 0 HA SER A 76 3.486 4.687 -5.332 1.00 0.64 H new ATOM 0 HB2 SER A 76 5.701 4.634 -6.430 1.00 0.76 H new ATOM 0 HB3 SER A 76 5.030 3.717 -7.764 1.00 0.76 H new ATOM 0 HG SER A 76 5.137 6.126 -7.995 1.00 1.78 H new ATOM 1222 N VAL A 77 1.388 4.439 -6.719 1.00 0.81 N ATOM 1223 CA VAL A 77 0.202 4.339 -7.554 1.00 0.84 C ATOM 1224 C VAL A 77 0.578 4.952 -8.894 1.00 0.67 C ATOM 1225 O VAL A 77 0.249 6.094 -9.202 1.00 0.91 O ATOM 1226 CB VAL A 77 -1.002 5.018 -6.900 1.00 0.92 C ATOM 1227 CG1 VAL A 77 -2.263 4.941 -7.773 1.00 0.94 C ATOM 1228 CG2 VAL A 77 -1.344 4.280 -5.610 1.00 1.13 C ATOM 0 H VAL A 77 1.354 5.190 -6.030 1.00 0.81 H new ATOM 0 HA VAL A 77 -0.110 3.303 -7.691 1.00 0.84 H new ATOM 0 HB VAL A 77 -0.727 6.060 -6.740 1.00 0.92 H new ATOM 0 HG11 VAL A 77 -3.089 5.437 -7.264 1.00 0.94 H new ATOM 0 HG12 VAL A 77 -2.076 5.434 -8.727 1.00 0.94 H new ATOM 0 HG13 VAL A 77 -2.520 3.897 -7.949 1.00 0.94 H new ATOM 0 HG21 VAL A 77 -2.202 4.756 -5.135 1.00 1.13 H new ATOM 0 HG22 VAL A 77 -1.585 3.242 -5.838 1.00 1.13 H new ATOM 0 HG23 VAL A 77 -0.490 4.314 -4.934 1.00 1.13 H new ATOM 1238 N ASP A 78 1.297 4.126 -9.647 1.00 0.88 N ATOM 1239 CA ASP A 78 1.843 4.325 -10.966 1.00 0.93 C ATOM 1240 C ASP A 78 3.194 5.031 -10.927 1.00 0.83 C ATOM 1241 O ASP A 78 3.236 6.257 -11.002 1.00 0.93 O ATOM 1242 CB ASP A 78 0.920 5.058 -11.947 1.00 0.98 C ATOM 1243 CG ASP A 78 1.691 5.125 -13.256 1.00 1.41 C ATOM 1244 OD1 ASP A 78 2.362 4.106 -13.544 1.00 2.79 O ATOM 1245 OD2 ASP A 78 1.716 6.195 -13.898 1.00 1.68 O ATOM 0 H ASP A 78 1.532 3.197 -9.298 1.00 0.88 H new ATOM 0 HA ASP A 78 1.963 3.311 -11.346 1.00 0.93 H new ATOM 0 HB2 ASP A 78 -0.022 4.524 -12.073 1.00 0.98 H new ATOM 0 HB3 ASP A 78 0.675 6.056 -11.584 1.00 0.98 H new ATOM 1250 N PRO A 79 4.309 4.290 -10.918 1.00 0.71 N ATOM 1251 CA PRO A 79 5.604 4.892 -11.122 1.00 0.67 C ATOM 1252 C PRO A 79 5.910 5.108 -12.608 1.00 0.72 C ATOM 1253 O PRO A 79 6.985 5.628 -12.909 1.00 0.94 O ATOM 1254 CB PRO A 79 6.593 3.929 -10.470 1.00 0.76 C ATOM 1255 CG PRO A 79 5.945 2.584 -10.785 1.00 0.84 C ATOM 1256 CD PRO A 79 4.439 2.856 -10.722 1.00 0.78 C ATOM 0 HA PRO A 79 5.659 5.888 -10.682 1.00 0.67 H new ATOM 0 HB2 PRO A 79 7.593 4.014 -10.896 1.00 0.76 H new ATOM 0 HB3 PRO A 79 6.688 4.099 -9.398 1.00 0.76 H new ATOM 0 HG2 PRO A 79 6.242 2.222 -11.769 1.00 0.84 H new ATOM 0 HG3 PRO A 79 6.241 1.823 -10.063 1.00 0.84 H new ATOM 0 HD2 PRO A 79 3.905 2.302 -11.494 1.00 0.78 H new ATOM 0 HD3 PRO A 79 4.022 2.549 -9.763 1.00 0.78 H new ATOM 1264 N GLU A 80 5.024 4.743 -13.552 1.00 0.69 N ATOM 1265 CA GLU A 80 5.209 5.110 -14.941 1.00 0.82 C ATOM 1266 C GLU A 80 5.171 6.643 -15.017 1.00 0.86 C ATOM 1267 O GLU A 80 6.048 7.252 -15.630 1.00 1.05 O ATOM 1268 CB GLU A 80 4.139 4.381 -15.766 1.00 1.05 C ATOM 1269 CG GLU A 80 4.469 4.255 -17.246 1.00 1.42 C ATOM 1270 CD GLU A 80 3.546 3.250 -17.927 1.00 1.78 C ATOM 1271 OE1 GLU A 80 3.754 2.033 -17.733 1.00 2.72 O ATOM 1272 OE2 GLU A 80 2.607 3.654 -18.648 1.00 2.19 O ATOM 0 H GLU A 80 4.182 4.198 -13.366 1.00 0.69 H new ATOM 0 HA GLU A 80 6.168 4.805 -15.361 1.00 0.82 H new ATOM 0 HB2 GLU A 80 3.994 3.383 -15.352 1.00 1.05 H new ATOM 0 HB3 GLU A 80 3.192 4.910 -15.660 1.00 1.05 H new ATOM 0 HG2 GLU A 80 4.372 5.228 -17.728 1.00 1.42 H new ATOM 0 HG3 GLU A 80 5.506 3.941 -17.366 1.00 1.42 H new ATOM 1279 N ASN A 81 4.218 7.267 -14.309 1.00 0.88 N ATOM 1280 CA ASN A 81 4.241 8.694 -13.999 1.00 1.09 C ATOM 1281 C ASN A 81 5.041 8.975 -12.719 1.00 1.15 C ATOM 1282 O ASN A 81 6.118 9.571 -12.785 1.00 1.69 O ATOM 1283 CB ASN A 81 2.816 9.255 -13.877 1.00 1.53 C ATOM 1284 CG ASN A 81 2.107 9.310 -15.227 1.00 1.61 C ATOM 1285 OD1 ASN A 81 2.139 10.331 -15.908 1.00 2.46 O ATOM 1286 ND2 ASN A 81 1.464 8.222 -15.629 1.00 2.15 N ATOM 0 H ASN A 81 3.402 6.784 -13.933 1.00 0.88 H new ATOM 0 HA ASN A 81 4.739 9.200 -14.826 1.00 1.09 H new ATOM 0 HB2 ASN A 81 2.240 8.635 -13.190 1.00 1.53 H new ATOM 0 HB3 ASN A 81 2.856 10.256 -13.447 1.00 1.53 H new ATOM 0 HD21 ASN A 81 0.978 8.219 -16.526 1.00 2.15 H new ATOM 0 HD22 ASN A 81 1.455 7.388 -15.041 1.00 2.15 H new ATOM 1293 N ASP A 82 4.514 8.593 -11.548 1.00 1.13 N ATOM 1294 CA ASP A 82 4.997 9.039 -10.239 1.00 1.16 C ATOM 1295 C ASP A 82 6.220 8.227 -9.805 1.00 1.44 C ATOM 1296 O ASP A 82 6.192 7.405 -8.884 1.00 2.90 O ATOM 1297 CB ASP A 82 3.858 9.014 -9.194 1.00 1.16 C ATOM 1298 CG ASP A 82 3.390 10.388 -8.715 1.00 1.45 C ATOM 1299 OD1 ASP A 82 4.079 11.394 -8.988 1.00 2.15 O ATOM 1300 OD2 ASP A 82 2.351 10.430 -8.020 1.00 2.50 O ATOM 0 H ASP A 82 3.723 7.952 -11.486 1.00 1.13 H new ATOM 0 HA ASP A 82 5.323 10.076 -10.319 1.00 1.16 H new ATOM 0 HB2 ASP A 82 3.006 8.485 -9.620 1.00 1.16 H new ATOM 0 HB3 ASP A 82 4.191 8.439 -8.330 1.00 1.16 H new ATOM 1305 N LYS A 83 7.320 8.458 -10.517 1.00 0.66 N ATOM 1306 CA LYS A 83 8.607 7.833 -10.260 1.00 0.67 C ATOM 1307 C LYS A 83 9.036 8.094 -8.806 1.00 0.59 C ATOM 1308 O LYS A 83 8.697 9.138 -8.246 1.00 0.61 O ATOM 1309 CB LYS A 83 9.598 8.315 -11.319 1.00 0.83 C ATOM 1310 CG LYS A 83 9.166 7.763 -12.688 1.00 1.55 C ATOM 1311 CD LYS A 83 9.894 8.396 -13.878 1.00 1.67 C ATOM 1312 CE LYS A 83 9.119 7.988 -15.142 1.00 2.45 C ATOM 1313 NZ LYS A 83 9.746 8.458 -16.392 1.00 2.71 N ATOM 0 H LYS A 83 7.338 9.102 -11.308 1.00 0.66 H new ATOM 0 HA LYS A 83 8.557 6.748 -10.350 1.00 0.67 H new ATOM 0 HB2 LYS A 83 9.625 9.404 -11.343 1.00 0.83 H new ATOM 0 HB3 LYS A 83 10.605 7.976 -11.076 1.00 0.83 H new ATOM 0 HG2 LYS A 83 9.336 6.686 -12.703 1.00 1.55 H new ATOM 0 HG3 LYS A 83 8.094 7.918 -12.808 1.00 1.55 H new ATOM 0 HD2 LYS A 83 9.927 9.481 -13.778 1.00 1.67 H new ATOM 0 HD3 LYS A 83 10.926 8.049 -13.929 1.00 1.67 H new ATOM 0 HE2 LYS A 83 9.035 6.902 -15.173 1.00 2.45 H new ATOM 0 HE3 LYS A 83 8.105 8.384 -15.081 1.00 2.45 H new ATOM 0 HZ1 LYS A 83 9.174 8.150 -17.204 1.00 2.71 H new ATOM 0 HZ2 LYS A 83 9.803 9.496 -16.383 1.00 2.71 H new ATOM 0 HZ3 LYS A 83 10.703 8.060 -16.471 1.00 2.71 H new ATOM 1327 N PRO A 84 9.766 7.162 -8.170 1.00 0.57 N ATOM 1328 CA PRO A 84 9.990 7.145 -6.726 1.00 0.52 C ATOM 1329 C PRO A 84 10.550 8.453 -6.169 1.00 0.47 C ATOM 1330 O PRO A 84 10.288 8.791 -5.019 1.00 0.44 O ATOM 1331 CB PRO A 84 10.933 5.966 -6.455 1.00 0.59 C ATOM 1332 CG PRO A 84 11.564 5.687 -7.819 1.00 0.63 C ATOM 1333 CD PRO A 84 10.422 6.017 -8.777 1.00 0.63 C ATOM 0 HA PRO A 84 9.036 7.031 -6.211 1.00 0.52 H new ATOM 0 HB2 PRO A 84 11.687 6.219 -5.709 1.00 0.59 H new ATOM 0 HB3 PRO A 84 10.391 5.098 -6.079 1.00 0.59 H new ATOM 0 HG2 PRO A 84 12.439 6.312 -7.998 1.00 0.63 H new ATOM 0 HG3 PRO A 84 11.888 4.650 -7.913 1.00 0.63 H new ATOM 0 HD2 PRO A 84 10.794 6.254 -9.774 1.00 0.63 H new ATOM 0 HD3 PRO A 84 9.737 5.176 -8.884 1.00 0.63 H new ATOM 1341 N LYS A 85 11.311 9.204 -6.968 1.00 0.53 N ATOM 1342 CA LYS A 85 11.839 10.493 -6.550 1.00 0.57 C ATOM 1343 C LYS A 85 10.717 11.449 -6.120 1.00 0.54 C ATOM 1344 O LYS A 85 10.892 12.221 -5.175 1.00 0.56 O ATOM 1345 CB LYS A 85 12.716 11.081 -7.653 1.00 0.73 C ATOM 1346 CG LYS A 85 13.829 12.012 -7.133 1.00 1.20 C ATOM 1347 CD LYS A 85 15.227 11.543 -7.570 1.00 1.59 C ATOM 1348 CE LYS A 85 15.455 11.743 -9.078 1.00 2.38 C ATOM 1349 NZ LYS A 85 16.781 11.255 -9.515 1.00 2.91 N ATOM 0 H LYS A 85 11.574 8.933 -7.916 1.00 0.53 H new ATOM 0 HA LYS A 85 12.465 10.347 -5.670 1.00 0.57 H new ATOM 0 HB2 LYS A 85 13.171 10.266 -8.216 1.00 0.73 H new ATOM 0 HB3 LYS A 85 12.086 11.636 -8.348 1.00 0.73 H new ATOM 0 HG2 LYS A 85 13.655 13.024 -7.500 1.00 1.20 H new ATOM 0 HG3 LYS A 85 13.786 12.056 -6.045 1.00 1.20 H new ATOM 0 HD2 LYS A 85 15.985 12.093 -7.012 1.00 1.59 H new ATOM 0 HD3 LYS A 85 15.350 10.489 -7.321 1.00 1.59 H new ATOM 0 HE2 LYS A 85 14.677 11.220 -9.633 1.00 2.38 H new ATOM 0 HE3 LYS A 85 15.362 12.802 -9.320 1.00 2.38 H new ATOM 0 HZ1 LYS A 85 16.889 11.411 -10.538 1.00 2.91 H new ATOM 0 HZ2 LYS A 85 17.526 11.772 -9.006 1.00 2.91 H new ATOM 0 HZ3 LYS A 85 16.862 10.239 -9.309 1.00 2.91 H new ATOM 1363 N GLN A 86 9.566 11.403 -6.804 1.00 0.54 N ATOM 1364 CA GLN A 86 8.427 12.236 -6.477 1.00 0.58 C ATOM 1365 C GLN A 86 7.896 11.814 -5.112 1.00 0.57 C ATOM 1366 O GLN A 86 7.681 12.653 -4.239 1.00 0.68 O ATOM 1367 CB GLN A 86 7.351 12.123 -7.567 1.00 0.64 C ATOM 1368 CG GLN A 86 6.849 13.476 -8.081 1.00 1.36 C ATOM 1369 CD GLN A 86 6.347 14.402 -6.972 1.00 2.09 C ATOM 1370 OE1 GLN A 86 5.200 14.335 -6.545 1.00 3.51 O ATOM 1371 NE2 GLN A 86 7.212 15.291 -6.491 1.00 2.48 N ATOM 0 H GLN A 86 9.410 10.783 -7.599 1.00 0.54 H new ATOM 0 HA GLN A 86 8.724 13.284 -6.432 1.00 0.58 H new ATOM 0 HB2 GLN A 86 7.754 11.553 -8.404 1.00 0.64 H new ATOM 0 HB3 GLN A 86 6.506 11.558 -7.174 1.00 0.64 H new ATOM 0 HG2 GLN A 86 7.655 13.973 -8.621 1.00 1.36 H new ATOM 0 HG3 GLN A 86 6.043 13.308 -8.796 1.00 1.36 H new ATOM 0 HE21 GLN A 86 8.162 15.330 -6.861 1.00 2.48 H new ATOM 0 HE22 GLN A 86 6.925 15.934 -5.753 1.00 2.48 H new ATOM 1380 N LEU A 87 7.725 10.503 -4.916 1.00 0.50 N ATOM 1381 CA LEU A 87 7.297 9.968 -3.635 1.00 0.50 C ATOM 1382 C LEU A 87 8.277 10.389 -2.537 1.00 0.47 C ATOM 1383 O LEU A 87 7.850 10.809 -1.464 1.00 0.53 O ATOM 1384 CB LEU A 87 7.103 8.443 -3.676 1.00 0.51 C ATOM 1385 CG LEU A 87 5.734 8.035 -4.252 1.00 0.73 C ATOM 1386 CD1 LEU A 87 5.685 8.064 -5.782 1.00 1.28 C ATOM 1387 CD2 LEU A 87 5.352 6.626 -3.779 1.00 0.96 C ATOM 0 H LEU A 87 7.879 9.797 -5.635 1.00 0.50 H new ATOM 0 HA LEU A 87 6.319 10.389 -3.404 1.00 0.50 H new ATOM 0 HB2 LEU A 87 7.894 7.996 -4.278 1.00 0.51 H new ATOM 0 HB3 LEU A 87 7.203 8.041 -2.668 1.00 0.51 H new ATOM 0 HG LEU A 87 5.025 8.775 -3.882 1.00 0.73 H new ATOM 0 HD11 LEU A 87 4.693 7.766 -6.120 1.00 1.28 H new ATOM 0 HD12 LEU A 87 5.900 9.073 -6.134 1.00 1.28 H new ATOM 0 HD13 LEU A 87 6.427 7.374 -6.183 1.00 1.28 H new ATOM 0 HD21 LEU A 87 4.382 6.353 -4.195 1.00 0.96 H new ATOM 0 HD22 LEU A 87 6.105 5.913 -4.115 1.00 0.96 H new ATOM 0 HD23 LEU A 87 5.297 6.610 -2.690 1.00 0.96 H new ATOM 1399 N LYS A 88 9.585 10.324 -2.793 1.00 0.44 N ATOM 1400 CA LYS A 88 10.572 10.728 -1.803 1.00 0.49 C ATOM 1401 C LYS A 88 10.446 12.221 -1.481 1.00 0.57 C ATOM 1402 O LYS A 88 10.460 12.595 -0.312 1.00 0.64 O ATOM 1403 CB LYS A 88 11.992 10.321 -2.220 1.00 0.55 C ATOM 1404 CG LYS A 88 12.841 10.044 -0.965 1.00 0.71 C ATOM 1405 CD LYS A 88 14.242 9.522 -1.315 1.00 0.88 C ATOM 1406 CE LYS A 88 15.152 9.401 -0.078 1.00 1.26 C ATOM 1407 NZ LYS A 88 14.680 8.406 0.912 1.00 1.68 N ATOM 0 H LYS A 88 9.979 9.996 -3.675 1.00 0.44 H new ATOM 0 HA LYS A 88 10.367 10.190 -0.878 1.00 0.49 H new ATOM 0 HB2 LYS A 88 11.956 9.432 -2.850 1.00 0.55 H new ATOM 0 HB3 LYS A 88 12.449 11.114 -2.813 1.00 0.55 H new ATOM 0 HG2 LYS A 88 12.932 10.960 -0.381 1.00 0.71 H new ATOM 0 HG3 LYS A 88 12.330 9.315 -0.337 1.00 0.71 H new ATOM 0 HD2 LYS A 88 14.154 8.547 -1.794 1.00 0.88 H new ATOM 0 HD3 LYS A 88 14.706 10.192 -2.039 1.00 0.88 H new ATOM 0 HE2 LYS A 88 16.157 9.130 -0.402 1.00 1.26 H new ATOM 0 HE3 LYS A 88 15.225 10.375 0.405 1.00 1.26 H new ATOM 0 HZ1 LYS A 88 15.430 8.228 1.610 1.00 1.68 H new ATOM 0 HZ2 LYS A 88 13.836 8.772 1.397 1.00 1.68 H new ATOM 0 HZ3 LYS A 88 14.442 7.518 0.425 1.00 1.68 H new ATOM 1421 N LYS A 89 10.300 13.082 -2.493 1.00 0.59 N ATOM 1422 CA LYS A 89 10.040 14.502 -2.240 1.00 0.69 C ATOM 1423 C LYS A 89 8.756 14.707 -1.425 1.00 0.69 C ATOM 1424 O LYS A 89 8.750 15.462 -0.455 1.00 0.77 O ATOM 1425 CB LYS A 89 9.991 15.316 -3.541 1.00 0.83 C ATOM 1426 CG LYS A 89 11.396 15.641 -4.069 1.00 1.48 C ATOM 1427 CD LYS A 89 11.326 16.810 -5.065 1.00 1.79 C ATOM 1428 CE LYS A 89 12.732 17.308 -5.436 1.00 2.82 C ATOM 1429 NZ LYS A 89 12.688 18.540 -6.255 1.00 3.18 N ATOM 0 H LYS A 89 10.356 12.827 -3.479 1.00 0.59 H new ATOM 0 HA LYS A 89 10.877 14.872 -1.648 1.00 0.69 H new ATOM 0 HB2 LYS A 89 9.440 14.758 -4.297 1.00 0.83 H new ATOM 0 HB3 LYS A 89 9.445 16.243 -3.368 1.00 0.83 H new ATOM 0 HG2 LYS A 89 12.055 15.898 -3.239 1.00 1.48 H new ATOM 0 HG3 LYS A 89 11.823 14.764 -4.555 1.00 1.48 H new ATOM 0 HD2 LYS A 89 10.800 16.493 -5.966 1.00 1.79 H new ATOM 0 HD3 LYS A 89 10.750 17.627 -4.631 1.00 1.79 H new ATOM 0 HE2 LYS A 89 13.301 17.498 -4.526 1.00 2.82 H new ATOM 0 HE3 LYS A 89 13.260 16.527 -5.984 1.00 2.82 H new ATOM 0 HZ1 LYS A 89 13.657 18.841 -6.482 1.00 3.18 H new ATOM 0 HZ2 LYS A 89 12.168 18.353 -7.136 1.00 3.18 H new ATOM 0 HZ3 LYS A 89 12.208 19.294 -5.723 1.00 3.18 H new ATOM 1443 N PHE A 90 7.666 14.041 -1.802 1.00 0.65 N ATOM 1444 CA PHE A 90 6.406 14.085 -1.068 1.00 0.71 C ATOM 1445 C PHE A 90 6.659 13.696 0.391 1.00 0.77 C ATOM 1446 O PHE A 90 6.249 14.388 1.322 1.00 0.90 O ATOM 1447 CB PHE A 90 5.407 13.154 -1.773 1.00 0.70 C ATOM 1448 CG PHE A 90 4.175 12.761 -0.982 1.00 0.81 C ATOM 1449 CD1 PHE A 90 4.218 11.626 -0.150 1.00 2.08 C ATOM 1450 CD2 PHE A 90 2.946 13.405 -1.220 1.00 1.49 C ATOM 1451 CE1 PHE A 90 3.044 11.149 0.456 1.00 2.34 C ATOM 1452 CE2 PHE A 90 1.765 12.906 -0.641 1.00 1.48 C ATOM 1453 CZ PHE A 90 1.819 11.790 0.214 1.00 1.32 C ATOM 0 H PHE A 90 7.634 13.451 -2.633 1.00 0.65 H new ATOM 0 HA PHE A 90 5.979 15.088 -1.058 1.00 0.71 H new ATOM 0 HB2 PHE A 90 5.081 13.638 -2.694 1.00 0.70 H new ATOM 0 HB3 PHE A 90 5.933 12.244 -2.060 1.00 0.70 H new ATOM 0 HD1 PHE A 90 5.157 11.121 0.023 1.00 2.08 H new ATOM 0 HD2 PHE A 90 2.910 14.283 -1.848 1.00 1.49 H new ATOM 0 HE1 PHE A 90 3.084 10.289 1.108 1.00 2.34 H new ATOM 0 HE2 PHE A 90 0.818 13.379 -0.853 1.00 1.48 H new ATOM 0 HZ PHE A 90 0.917 11.426 0.684 1.00 1.32 H new ATOM 1463 N ALA A 91 7.403 12.611 0.587 1.00 0.74 N ATOM 1464 CA ALA A 91 7.728 12.074 1.893 1.00 0.84 C ATOM 1465 C ALA A 91 8.641 13.016 2.674 1.00 0.96 C ATOM 1466 O ALA A 91 8.604 13.056 3.896 1.00 1.19 O ATOM 1467 CB ALA A 91 8.408 10.723 1.699 1.00 0.75 C ATOM 0 H ALA A 91 7.804 12.072 -0.181 1.00 0.74 H new ATOM 0 HA ALA A 91 6.811 11.960 2.471 1.00 0.84 H new ATOM 0 HB1 ALA A 91 8.662 10.300 2.671 1.00 0.75 H new ATOM 0 HB2 ALA A 91 7.732 10.047 1.175 1.00 0.75 H new ATOM 0 HB3 ALA A 91 9.317 10.854 1.112 1.00 0.75 H new ATOM 1473 N ALA A 92 9.479 13.778 1.971 1.00 0.94 N ATOM 1474 CA ALA A 92 10.287 14.816 2.584 1.00 1.12 C ATOM 1475 C ALA A 92 9.423 15.984 3.077 1.00 1.20 C ATOM 1476 O ALA A 92 9.884 16.765 3.903 1.00 1.41 O ATOM 1477 CB ALA A 92 11.348 15.278 1.584 1.00 1.24 C ATOM 0 H ALA A 92 9.612 13.688 0.964 1.00 0.94 H new ATOM 0 HA ALA A 92 10.784 14.410 3.465 1.00 1.12 H new ATOM 0 HB1 ALA A 92 11.960 16.058 2.037 1.00 1.24 H new ATOM 0 HB2 ALA A 92 11.981 14.434 1.309 1.00 1.24 H new ATOM 0 HB3 ALA A 92 10.860 15.671 0.692 1.00 1.24 H new ATOM 1483 N ASN A 93 8.187 16.120 2.574 1.00 1.10 N ATOM 1484 CA ASN A 93 7.258 17.159 3.018 1.00 1.23 C ATOM 1485 C ASN A 93 6.372 16.610 4.133 1.00 1.18 C ATOM 1486 O ASN A 93 6.346 17.149 5.237 1.00 1.31 O ATOM 1487 CB ASN A 93 6.401 17.682 1.854 1.00 1.32 C ATOM 1488 CG ASN A 93 7.169 18.631 0.942 1.00 1.50 C ATOM 1489 OD1 ASN A 93 6.965 19.839 0.982 1.00 1.98 O ATOM 1490 ND2 ASN A 93 8.048 18.108 0.094 1.00 2.12 N ATOM 0 H ASN A 93 7.808 15.511 1.849 1.00 1.10 H new ATOM 0 HA ASN A 93 7.838 18.000 3.399 1.00 1.23 H new ATOM 0 HB2 ASN A 93 6.035 16.838 1.269 1.00 1.32 H new ATOM 0 HB3 ASN A 93 5.527 18.196 2.253 1.00 1.32 H new ATOM 0 HD21 ASN A 93 8.568 18.715 -0.540 1.00 2.12 H new ATOM 0 HD22 ASN A 93 8.203 17.100 0.077 1.00 2.12 H new ATOM 1497 N TYR A 94 5.622 15.544 3.845 1.00 1.06 N ATOM 1498 CA TYR A 94 4.777 14.894 4.839 1.00 1.02 C ATOM 1499 C TYR A 94 5.650 14.330 5.970 1.00 0.82 C ATOM 1500 O TYR A 94 6.516 13.512 5.683 1.00 0.73 O ATOM 1501 CB TYR A 94 3.957 13.787 4.174 1.00 1.10 C ATOM 1502 CG TYR A 94 2.535 14.211 3.886 1.00 1.14 C ATOM 1503 CD1 TYR A 94 1.658 14.422 4.963 1.00 2.17 C ATOM 1504 CD2 TYR A 94 2.073 14.338 2.567 1.00 1.84 C ATOM 1505 CE1 TYR A 94 0.291 14.636 4.721 1.00 2.24 C ATOM 1506 CE2 TYR A 94 0.717 14.632 2.326 1.00 1.66 C ATOM 1507 CZ TYR A 94 -0.179 14.763 3.404 1.00 1.01 C ATOM 1508 OH TYR A 94 -1.522 14.879 3.197 1.00 1.06 O ATOM 0 H TYR A 94 5.586 15.112 2.922 1.00 1.06 H new ATOM 0 HA TYR A 94 4.087 15.621 5.268 1.00 1.02 H new ATOM 0 HB2 TYR A 94 4.440 13.492 3.243 1.00 1.10 H new ATOM 0 HB3 TYR A 94 3.947 12.909 4.820 1.00 1.10 H new ATOM 0 HD1 TYR A 94 2.034 14.420 5.975 1.00 2.17 H new ATOM 0 HD2 TYR A 94 2.755 14.211 1.739 1.00 1.84 H new ATOM 0 HE1 TYR A 94 -0.399 14.703 5.549 1.00 2.24 H new ATOM 0 HE2 TYR A 94 0.364 14.757 1.313 1.00 1.66 H new ATOM 0 HH TYR A 94 -1.699 14.960 2.237 1.00 1.06 H new ATOM 1518 N PRO A 95 5.448 14.716 7.241 1.00 0.89 N ATOM 1519 CA PRO A 95 6.299 14.264 8.331 1.00 0.77 C ATOM 1520 C PRO A 95 6.171 12.751 8.532 1.00 0.75 C ATOM 1521 O PRO A 95 5.219 12.271 9.150 1.00 1.29 O ATOM 1522 CB PRO A 95 5.866 15.072 9.560 1.00 0.90 C ATOM 1523 CG PRO A 95 4.419 15.447 9.251 1.00 1.07 C ATOM 1524 CD PRO A 95 4.429 15.629 7.733 1.00 1.18 C ATOM 0 HA PRO A 95 7.357 14.431 8.127 1.00 0.77 H new ATOM 0 HB2 PRO A 95 5.941 14.483 10.474 1.00 0.90 H new ATOM 0 HB3 PRO A 95 6.489 15.956 9.698 1.00 0.90 H new ATOM 0 HG2 PRO A 95 3.725 14.665 9.559 1.00 1.07 H new ATOM 0 HG3 PRO A 95 4.120 16.360 9.765 1.00 1.07 H new ATOM 0 HD2 PRO A 95 3.454 15.398 7.303 1.00 1.18 H new ATOM 0 HD3 PRO A 95 4.661 16.659 7.462 1.00 1.18 H new ATOM 1532 N LEU A 96 7.139 11.998 8.009 1.00 0.71 N ATOM 1533 CA LEU A 96 7.240 10.556 8.143 1.00 0.62 C ATOM 1534 C LEU A 96 8.705 10.176 8.275 1.00 0.59 C ATOM 1535 O LEU A 96 9.571 11.050 8.324 1.00 0.75 O ATOM 1536 CB LEU A 96 6.543 9.875 6.955 1.00 0.63 C ATOM 1537 CG LEU A 96 7.218 10.059 5.578 1.00 0.63 C ATOM 1538 CD1 LEU A 96 8.280 8.983 5.306 1.00 0.60 C ATOM 1539 CD2 LEU A 96 6.143 10.012 4.486 1.00 0.81 C ATOM 0 H LEU A 96 7.901 12.397 7.460 1.00 0.71 H new ATOM 0 HA LEU A 96 6.731 10.210 9.042 1.00 0.62 H new ATOM 0 HB2 LEU A 96 6.473 8.807 7.164 1.00 0.63 H new ATOM 0 HB3 LEU A 96 5.523 10.255 6.891 1.00 0.63 H new ATOM 0 HG LEU A 96 7.725 11.024 5.576 1.00 0.63 H new ATOM 0 HD11 LEU A 96 8.727 9.153 4.327 1.00 0.60 H new ATOM 0 HD12 LEU A 96 9.054 9.033 6.072 1.00 0.60 H new ATOM 0 HD13 LEU A 96 7.813 7.998 5.326 1.00 0.60 H new ATOM 0 HD21 LEU A 96 6.610 10.141 3.510 1.00 0.81 H new ATOM 0 HD22 LEU A 96 5.632 9.050 4.519 1.00 0.81 H new ATOM 0 HD23 LEU A 96 5.421 10.812 4.651 1.00 0.81 H new ATOM 1551 N SER A 97 8.992 8.875 8.311 1.00 0.61 N ATOM 1552 CA SER A 97 10.357 8.399 8.183 1.00 0.69 C ATOM 1553 C SER A 97 10.375 7.110 7.376 1.00 0.59 C ATOM 1554 O SER A 97 9.424 6.332 7.407 1.00 0.71 O ATOM 1555 CB SER A 97 11.006 8.206 9.555 1.00 0.92 C ATOM 1556 OG SER A 97 12.329 7.720 9.387 1.00 2.01 O ATOM 0 H SER A 97 8.296 8.139 8.428 1.00 0.61 H new ATOM 0 HA SER A 97 10.944 9.150 7.654 1.00 0.69 H new ATOM 0 HB2 SER A 97 11.020 9.151 10.099 1.00 0.92 H new ATOM 0 HB3 SER A 97 10.422 7.504 10.150 1.00 0.92 H new ATOM 0 HG SER A 97 12.746 7.598 10.265 1.00 2.01 H new ATOM 1562 N PHE A 98 11.493 6.902 6.682 1.00 0.52 N ATOM 1563 CA PHE A 98 11.849 5.652 6.037 1.00 0.50 C ATOM 1564 C PHE A 98 12.129 4.559 7.075 1.00 0.45 C ATOM 1565 O PHE A 98 12.017 3.384 6.732 1.00 0.49 O ATOM 1566 CB PHE A 98 13.070 5.894 5.146 1.00 0.64 C ATOM 1567 CG PHE A 98 12.837 6.949 4.073 1.00 0.72 C ATOM 1568 CD1 PHE A 98 11.933 6.680 3.029 1.00 1.75 C ATOM 1569 CD2 PHE A 98 13.297 8.266 4.268 1.00 2.02 C ATOM 1570 CE1 PHE A 98 11.421 7.730 2.245 1.00 1.68 C ATOM 1571 CE2 PHE A 98 12.784 9.317 3.487 1.00 2.14 C ATOM 1572 CZ PHE A 98 11.822 9.053 2.497 1.00 0.87 C ATOM 0 H PHE A 98 12.197 7.629 6.553 1.00 0.52 H new ATOM 0 HA PHE A 98 11.016 5.304 5.426 1.00 0.50 H new ATOM 0 HB2 PHE A 98 13.910 6.200 5.769 1.00 0.64 H new ATOM 0 HB3 PHE A 98 13.353 4.956 4.668 1.00 0.64 H new ATOM 0 HD1 PHE A 98 11.631 5.663 2.829 1.00 1.75 H new ATOM 0 HD2 PHE A 98 14.046 8.469 5.019 1.00 2.02 H new ATOM 0 HE1 PHE A 98 10.721 7.519 1.450 1.00 1.68 H new ATOM 0 HE2 PHE A 98 13.129 10.328 3.648 1.00 2.14 H new ATOM 0 HZ PHE A 98 11.392 9.866 1.931 1.00 0.87 H new ATOM 1582 N ASP A 99 12.478 4.973 8.308 1.00 0.50 N ATOM 1583 CA ASP A 99 12.654 4.206 9.549 1.00 0.64 C ATOM 1584 C ASP A 99 12.390 2.714 9.375 1.00 0.60 C ATOM 1585 O ASP A 99 13.289 1.883 9.468 1.00 0.73 O ATOM 1586 CB ASP A 99 11.737 4.823 10.631 1.00 0.83 C ATOM 1587 CG ASP A 99 11.234 3.841 11.684 1.00 1.46 C ATOM 1588 OD1 ASP A 99 11.985 3.474 12.612 1.00 2.23 O ATOM 1589 OD2 ASP A 99 10.061 3.416 11.564 1.00 2.78 O ATOM 0 H ASP A 99 12.663 5.962 8.473 1.00 0.50 H new ATOM 0 HA ASP A 99 13.698 4.274 9.854 1.00 0.64 H new ATOM 0 HB2 ASP A 99 12.280 5.624 11.133 1.00 0.83 H new ATOM 0 HB3 ASP A 99 10.877 5.279 10.141 1.00 0.83 H new ATOM 1594 N ASN A 100 11.123 2.406 9.130 1.00 0.50 N ATOM 1595 CA ASN A 100 10.623 1.065 8.928 1.00 0.48 C ATOM 1596 C ASN A 100 9.407 1.196 8.025 1.00 0.48 C ATOM 1597 O ASN A 100 8.297 0.825 8.400 1.00 0.64 O ATOM 1598 CB ASN A 100 10.298 0.494 10.302 1.00 0.57 C ATOM 1599 CG ASN A 100 9.996 -0.989 10.256 1.00 0.69 C ATOM 1600 OD1 ASN A 100 10.904 -1.808 10.344 1.00 1.47 O ATOM 1601 ND2 ASN A 100 8.723 -1.339 10.155 1.00 0.63 N ATOM 0 H ASN A 100 10.393 3.115 9.065 1.00 0.50 H new ATOM 0 HA ASN A 100 11.331 0.387 8.452 1.00 0.48 H new ATOM 0 HB2 ASN A 100 11.139 0.670 10.973 1.00 0.57 H new ATOM 0 HB3 ASN A 100 9.441 1.023 10.719 1.00 0.57 H new ATOM 0 HD21 ASN A 100 8.464 -2.326 10.148 1.00 0.63 H new ATOM 0 HD22 ASN A 100 8.001 -0.622 10.084 1.00 0.63 H new ATOM 1608 N TRP A 101 9.630 1.809 6.864 1.00 0.45 N ATOM 1609 CA TRP A 101 8.636 2.084 5.841 1.00 0.43 C ATOM 1610 C TRP A 101 9.309 1.912 4.471 1.00 0.44 C ATOM 1611 O TRP A 101 10.146 2.727 4.080 1.00 0.54 O ATOM 1612 CB TRP A 101 8.030 3.490 6.055 1.00 0.52 C ATOM 1613 CG TRP A 101 6.815 3.847 5.241 1.00 0.42 C ATOM 1614 CD1 TRP A 101 6.397 3.164 4.151 1.00 0.43 C ATOM 1615 CD2 TRP A 101 5.844 4.946 5.405 1.00 0.50 C ATOM 1616 NE1 TRP A 101 5.273 3.739 3.637 1.00 0.47 N ATOM 1617 CE2 TRP A 101 4.901 4.853 4.334 1.00 0.55 C ATOM 1618 CE3 TRP A 101 5.634 6.011 6.321 1.00 0.74 C ATOM 1619 CZ2 TRP A 101 3.860 5.763 4.139 1.00 0.84 C ATOM 1620 CZ3 TRP A 101 4.576 6.924 6.140 1.00 0.99 C ATOM 1621 CH2 TRP A 101 3.731 6.837 5.021 1.00 1.06 C ATOM 0 H TRP A 101 10.558 2.142 6.603 1.00 0.45 H new ATOM 0 HA TRP A 101 7.799 1.387 5.897 1.00 0.43 H new ATOM 0 HB2 TRP A 101 7.771 3.589 7.109 1.00 0.52 H new ATOM 0 HB3 TRP A 101 8.805 4.227 5.846 1.00 0.52 H new ATOM 0 HD1 TRP A 101 6.884 2.289 3.746 1.00 0.43 H new ATOM 0 HE1 TRP A 101 4.769 3.379 2.827 1.00 0.47 H new ATOM 0 HE3 TRP A 101 6.294 6.123 7.168 1.00 0.74 H new ATOM 0 HZ2 TRP A 101 3.167 5.638 3.320 1.00 0.84 H new ATOM 0 HZ3 TRP A 101 4.412 7.701 6.872 1.00 0.99 H new ATOM 0 HH2 TRP A 101 2.985 7.598 4.844 1.00 1.06 H new ATOM 1632 N ASP A 102 8.929 0.861 3.734 1.00 0.39 N ATOM 1633 CA ASP A 102 9.510 0.522 2.436 1.00 0.45 C ATOM 1634 C ASP A 102 8.607 1.105 1.341 1.00 0.43 C ATOM 1635 O ASP A 102 7.633 0.488 0.907 1.00 0.46 O ATOM 1636 CB ASP A 102 9.656 -1.010 2.288 1.00 0.47 C ATOM 1637 CG ASP A 102 11.050 -1.568 2.570 1.00 0.59 C ATOM 1638 OD1 ASP A 102 12.010 -1.017 1.984 1.00 1.59 O ATOM 1639 OD2 ASP A 102 11.127 -2.582 3.308 1.00 1.47 O ATOM 0 H ASP A 102 8.198 0.214 4.030 1.00 0.39 H new ATOM 0 HA ASP A 102 10.510 0.947 2.348 1.00 0.45 H new ATOM 0 HB2 ASP A 102 8.948 -1.492 2.962 1.00 0.47 H new ATOM 0 HB3 ASP A 102 9.371 -1.288 1.274 1.00 0.47 H new ATOM 1644 N PHE A 103 8.939 2.303 0.858 1.00 0.47 N ATOM 1645 CA PHE A 103 8.245 2.883 -0.282 1.00 0.49 C ATOM 1646 C PHE A 103 8.767 2.175 -1.528 1.00 0.53 C ATOM 1647 O PHE A 103 9.929 2.367 -1.890 1.00 0.62 O ATOM 1648 CB PHE A 103 8.498 4.390 -0.379 1.00 0.55 C ATOM 1649 CG PHE A 103 7.918 5.213 0.754 1.00 0.70 C ATOM 1650 CD1 PHE A 103 8.585 5.297 1.991 1.00 2.24 C ATOM 1651 CD2 PHE A 103 6.713 5.916 0.562 1.00 1.43 C ATOM 1652 CE1 PHE A 103 8.076 6.115 3.013 1.00 2.49 C ATOM 1653 CE2 PHE A 103 6.199 6.727 1.586 1.00 1.39 C ATOM 1654 CZ PHE A 103 6.889 6.837 2.805 1.00 1.25 C ATOM 0 H PHE A 103 9.683 2.886 1.241 1.00 0.47 H new ATOM 0 HA PHE A 103 7.168 2.750 -0.176 1.00 0.49 H new ATOM 0 HB2 PHE A 103 9.574 4.560 -0.418 1.00 0.55 H new ATOM 0 HB3 PHE A 103 8.084 4.753 -1.320 1.00 0.55 H new ATOM 0 HD1 PHE A 103 9.490 4.731 2.154 1.00 2.24 H new ATOM 0 HD2 PHE A 103 6.183 5.831 -0.375 1.00 1.43 H new ATOM 0 HE1 PHE A 103 8.596 6.189 3.957 1.00 2.49 H new ATOM 0 HE2 PHE A 103 5.275 7.265 1.437 1.00 1.39 H new ATOM 0 HZ PHE A 103 6.506 7.479 3.585 1.00 1.25 H new ATOM 1664 N LEU A 104 7.935 1.335 -2.145 1.00 0.51 N ATOM 1665 CA LEU A 104 8.283 0.535 -3.306 1.00 0.53 C ATOM 1666 C LEU A 104 7.938 1.260 -4.599 1.00 0.60 C ATOM 1667 O LEU A 104 7.063 2.125 -4.630 1.00 0.85 O ATOM 1668 CB LEU A 104 7.647 -0.859 -3.233 1.00 0.52 C ATOM 1669 CG LEU A 104 8.020 -1.632 -1.956 1.00 0.47 C ATOM 1670 CD1 LEU A 104 7.547 -3.078 -2.097 1.00 0.47 C ATOM 1671 CD2 LEU A 104 9.525 -1.650 -1.677 1.00 0.51 C ATOM 0 H LEU A 104 6.973 1.193 -1.837 1.00 0.51 H new ATOM 0 HA LEU A 104 9.363 0.390 -3.303 1.00 0.53 H new ATOM 0 HB2 LEU A 104 6.563 -0.759 -3.285 1.00 0.52 H new ATOM 0 HB3 LEU A 104 7.956 -1.438 -4.103 1.00 0.52 H new ATOM 0 HG LEU A 104 7.536 -1.120 -1.125 1.00 0.47 H new ATOM 0 HD11 LEU A 104 7.807 -3.635 -1.197 1.00 0.47 H new ATOM 0 HD12 LEU A 104 6.466 -3.095 -2.235 1.00 0.47 H new ATOM 0 HD13 LEU A 104 8.031 -3.537 -2.960 1.00 0.47 H new ATOM 0 HD21 LEU A 104 9.719 -2.211 -0.763 1.00 0.51 H new ATOM 0 HD22 LEU A 104 10.044 -2.124 -2.510 1.00 0.51 H new ATOM 0 HD23 LEU A 104 9.885 -0.628 -1.559 1.00 0.51 H new ATOM 1683 N THR A 105 8.628 0.907 -5.681 1.00 0.46 N ATOM 1684 CA THR A 105 8.286 1.414 -6.991 1.00 0.52 C ATOM 1685 C THR A 105 7.014 0.704 -7.465 1.00 0.71 C ATOM 1686 O THR A 105 5.918 1.259 -7.387 1.00 1.00 O ATOM 1687 CB THR A 105 9.482 1.223 -7.938 1.00 0.46 C ATOM 1688 OG1 THR A 105 9.875 -0.138 -7.993 1.00 0.52 O ATOM 1689 CG2 THR A 105 10.680 2.044 -7.457 1.00 0.51 C ATOM 0 H THR A 105 9.426 0.272 -5.668 1.00 0.46 H new ATOM 0 HA THR A 105 8.076 2.483 -6.969 1.00 0.52 H new ATOM 0 HB THR A 105 9.169 1.555 -8.928 1.00 0.46 H new ATOM 0 HG1 THR A 105 10.636 -0.234 -8.603 1.00 0.52 H new ATOM 0 HG21 THR A 105 11.518 1.898 -8.138 1.00 0.51 H new ATOM 0 HG22 THR A 105 10.411 3.100 -7.434 1.00 0.51 H new ATOM 0 HG23 THR A 105 10.965 1.720 -6.456 1.00 0.51 H new ATOM 1697 N GLY A 106 7.194 -0.526 -7.954 1.00 0.73 N ATOM 1698 CA GLY A 106 6.227 -1.291 -8.730 1.00 0.95 C ATOM 1699 C GLY A 106 6.782 -1.565 -10.132 1.00 0.75 C ATOM 1700 O GLY A 106 6.512 -2.607 -10.722 1.00 1.12 O ATOM 0 H GLY A 106 8.065 -1.037 -7.809 1.00 0.73 H new ATOM 0 HA2 GLY A 106 6.007 -2.232 -8.226 1.00 0.95 H new ATOM 0 HA3 GLY A 106 5.289 -0.741 -8.802 1.00 0.95 H new ATOM 1704 N TYR A 107 7.577 -0.615 -10.637 1.00 0.66 N ATOM 1705 CA TYR A 107 7.964 -0.474 -12.030 1.00 0.69 C ATOM 1706 C TYR A 107 6.727 -0.146 -12.868 1.00 0.76 C ATOM 1707 O TYR A 107 5.635 0.011 -12.320 1.00 1.21 O ATOM 1708 CB TYR A 107 8.793 -1.673 -12.515 1.00 0.96 C ATOM 1709 CG TYR A 107 9.892 -1.317 -13.502 1.00 1.20 C ATOM 1710 CD1 TYR A 107 11.133 -0.855 -13.023 1.00 2.32 C ATOM 1711 CD2 TYR A 107 9.690 -1.448 -14.888 1.00 2.19 C ATOM 1712 CE1 TYR A 107 12.165 -0.534 -13.923 1.00 2.65 C ATOM 1713 CE2 TYR A 107 10.720 -1.124 -15.787 1.00 2.40 C ATOM 1714 CZ TYR A 107 11.959 -0.675 -15.305 1.00 2.00 C ATOM 1715 OH TYR A 107 12.955 -0.366 -16.183 1.00 2.43 O ATOM 0 H TYR A 107 7.985 0.110 -10.047 1.00 0.66 H new ATOM 0 HA TYR A 107 8.645 0.369 -12.151 1.00 0.69 H new ATOM 0 HB2 TYR A 107 9.242 -2.162 -11.651 1.00 0.96 H new ATOM 0 HB3 TYR A 107 8.124 -2.397 -12.980 1.00 0.96 H new ATOM 0 HD1 TYR A 107 11.293 -0.747 -11.960 1.00 2.32 H new ATOM 0 HD2 TYR A 107 8.740 -1.799 -15.262 1.00 2.19 H new ATOM 0 HE1 TYR A 107 13.115 -0.179 -13.552 1.00 2.65 H new ATOM 0 HE2 TYR A 107 10.558 -1.221 -16.850 1.00 2.40 H new ATOM 0 HH TYR A 107 12.644 -0.522 -17.099 1.00 2.43 H new ATOM 1725 N SER A 108 6.926 0.075 -14.167 1.00 0.85 N ATOM 1726 CA SER A 108 5.929 0.603 -15.076 1.00 1.06 C ATOM 1727 C SER A 108 4.610 -0.176 -15.018 1.00 0.83 C ATOM 1728 O SER A 108 4.529 -1.274 -14.465 1.00 0.77 O ATOM 1729 CB SER A 108 6.548 0.635 -16.477 1.00 1.52 C ATOM 1730 OG SER A 108 7.927 0.964 -16.372 1.00 2.55 O ATOM 0 H SER A 108 7.818 -0.117 -14.623 1.00 0.85 H new ATOM 0 HA SER A 108 5.654 1.615 -14.780 1.00 1.06 H new ATOM 0 HB2 SER A 108 6.429 -0.334 -16.962 1.00 1.52 H new ATOM 0 HB3 SER A 108 6.033 1.368 -17.098 1.00 1.52 H new ATOM 0 HG SER A 108 8.458 0.141 -16.332 1.00 2.55 H new ATOM 1736 N GLN A 109 3.552 0.412 -15.573 1.00 0.93 N ATOM 1737 CA GLN A 109 2.190 -0.070 -15.400 1.00 0.97 C ATOM 1738 C GLN A 109 2.110 -1.555 -15.740 1.00 0.92 C ATOM 1739 O GLN A 109 1.568 -2.341 -14.972 1.00 0.96 O ATOM 1740 CB GLN A 109 1.227 0.722 -16.282 1.00 1.20 C ATOM 1741 CG GLN A 109 0.866 2.119 -15.763 1.00 1.51 C ATOM 1742 CD GLN A 109 -0.037 2.044 -14.533 1.00 2.12 C ATOM 1743 OE1 GLN A 109 -1.247 1.853 -14.643 1.00 3.05 O ATOM 1744 NE2 GLN A 109 0.538 2.206 -13.353 1.00 2.40 N ATOM 0 H GLN A 109 3.620 1.243 -16.160 1.00 0.93 H new ATOM 0 HA GLN A 109 1.903 0.070 -14.358 1.00 0.97 H new ATOM 0 HB2 GLN A 109 1.667 0.823 -17.274 1.00 1.20 H new ATOM 0 HB3 GLN A 109 0.309 0.146 -16.398 1.00 1.20 H new ATOM 0 HG2 GLN A 109 1.777 2.662 -15.514 1.00 1.51 H new ATOM 0 HG3 GLN A 109 0.364 2.682 -16.550 1.00 1.51 H new ATOM 0 HE21 GLN A 109 1.544 2.363 -13.293 1.00 2.40 H new ATOM 0 HE22 GLN A 109 -0.025 2.174 -12.503 1.00 2.40 H new ATOM 1753 N SER A 110 2.684 -1.930 -16.884 1.00 1.01 N ATOM 1754 CA SER A 110 2.705 -3.298 -17.372 1.00 1.15 C ATOM 1755 C SER A 110 3.242 -4.257 -16.305 1.00 1.05 C ATOM 1756 O SER A 110 2.604 -5.258 -15.990 1.00 1.17 O ATOM 1757 CB SER A 110 3.534 -3.324 -18.659 1.00 1.45 C ATOM 1758 OG SER A 110 2.991 -2.371 -19.562 1.00 1.96 O ATOM 0 H SER A 110 3.155 -1.273 -17.506 1.00 1.01 H new ATOM 0 HA SER A 110 1.695 -3.642 -17.593 1.00 1.15 H new ATOM 0 HB2 SER A 110 4.577 -3.091 -18.443 1.00 1.45 H new ATOM 0 HB3 SER A 110 3.515 -4.320 -19.102 1.00 1.45 H new ATOM 0 HG SER A 110 3.512 -2.373 -20.392 1.00 1.96 H new ATOM 1764 N GLU A 111 4.402 -3.933 -15.739 1.00 1.00 N ATOM 1765 CA GLU A 111 5.052 -4.679 -14.683 1.00 1.04 C ATOM 1766 C GLU A 111 4.137 -4.820 -13.466 1.00 0.91 C ATOM 1767 O GLU A 111 3.915 -5.929 -12.982 1.00 1.09 O ATOM 1768 CB GLU A 111 6.376 -3.976 -14.340 1.00 1.13 C ATOM 1769 CG GLU A 111 7.466 -4.301 -15.380 1.00 2.39 C ATOM 1770 CD GLU A 111 7.279 -3.607 -16.729 1.00 4.34 C ATOM 1771 OE1 GLU A 111 6.448 -2.673 -16.801 1.00 5.34 O ATOM 1772 OE2 GLU A 111 7.980 -4.018 -17.676 1.00 5.52 O ATOM 0 H GLU A 111 4.931 -3.108 -16.021 1.00 1.00 H new ATOM 0 HA GLU A 111 5.267 -5.694 -15.016 1.00 1.04 H new ATOM 0 HB2 GLU A 111 6.218 -2.898 -14.299 1.00 1.13 H new ATOM 0 HB3 GLU A 111 6.710 -4.287 -13.350 1.00 1.13 H new ATOM 0 HG2 GLU A 111 8.436 -4.019 -14.972 1.00 2.39 H new ATOM 0 HG3 GLU A 111 7.489 -5.379 -15.540 1.00 2.39 H new ATOM 1779 N ILE A 112 3.612 -3.706 -12.952 1.00 0.76 N ATOM 1780 CA ILE A 112 2.777 -3.766 -11.754 1.00 0.82 C ATOM 1781 C ILE A 112 1.409 -4.423 -12.015 1.00 0.88 C ATOM 1782 O ILE A 112 0.847 -5.003 -11.088 1.00 0.98 O ATOM 1783 CB ILE A 112 2.701 -2.403 -11.040 1.00 0.85 C ATOM 1784 CG1 ILE A 112 1.877 -2.495 -9.744 1.00 1.22 C ATOM 1785 CG2 ILE A 112 2.141 -1.280 -11.912 1.00 0.88 C ATOM 1786 CD1 ILE A 112 2.582 -1.811 -8.582 1.00 1.07 C ATOM 0 H ILE A 112 3.747 -2.771 -13.337 1.00 0.76 H new ATOM 0 HA ILE A 112 3.269 -4.436 -11.049 1.00 0.82 H new ATOM 0 HB ILE A 112 3.735 -2.149 -10.807 1.00 0.85 H new ATOM 0 HG12 ILE A 112 0.901 -2.035 -9.899 1.00 1.22 H new ATOM 0 HG13 ILE A 112 1.701 -3.542 -9.498 1.00 1.22 H new ATOM 0 HG21 ILE A 112 2.118 -0.352 -11.340 1.00 0.88 H new ATOM 0 HG22 ILE A 112 2.775 -1.150 -12.789 1.00 0.88 H new ATOM 0 HG23 ILE A 112 1.130 -1.535 -12.229 1.00 0.88 H new ATOM 0 HD11 ILE A 112 1.970 -1.896 -7.684 1.00 1.07 H new ATOM 0 HD12 ILE A 112 3.547 -2.288 -8.410 1.00 1.07 H new ATOM 0 HD13 ILE A 112 2.735 -0.758 -8.818 1.00 1.07 H new ATOM 1798 N GLU A 113 0.878 -4.346 -13.242 1.00 0.88 N ATOM 1799 CA GLU A 113 -0.483 -4.726 -13.616 1.00 0.89 C ATOM 1800 C GLU A 113 -0.980 -5.944 -12.840 1.00 0.75 C ATOM 1801 O GLU A 113 -1.840 -5.823 -11.966 1.00 0.73 O ATOM 1802 CB GLU A 113 -0.558 -4.907 -15.146 1.00 1.11 C ATOM 1803 CG GLU A 113 -1.982 -5.073 -15.700 1.00 1.84 C ATOM 1804 CD GLU A 113 -2.576 -6.450 -15.436 1.00 3.27 C ATOM 1805 OE1 GLU A 113 -1.936 -7.431 -15.870 1.00 4.39 O ATOM 1806 OE2 GLU A 113 -3.650 -6.494 -14.802 1.00 4.22 O ATOM 0 H GLU A 113 1.415 -4.000 -14.037 1.00 0.88 H new ATOM 0 HA GLU A 113 -1.166 -3.923 -13.337 1.00 0.89 H new ATOM 0 HB2 GLU A 113 -0.094 -4.044 -15.624 1.00 1.11 H new ATOM 0 HB3 GLU A 113 0.031 -5.781 -15.425 1.00 1.11 H new ATOM 0 HG2 GLU A 113 -2.628 -4.316 -15.256 1.00 1.84 H new ATOM 0 HG3 GLU A 113 -1.970 -4.891 -16.775 1.00 1.84 H new ATOM 1813 N GLU A 114 -0.388 -7.105 -13.124 1.00 0.81 N ATOM 1814 CA GLU A 114 -0.843 -8.363 -12.558 1.00 0.86 C ATOM 1815 C GLU A 114 -0.826 -8.307 -11.029 1.00 0.80 C ATOM 1816 O GLU A 114 -1.781 -8.724 -10.374 1.00 0.81 O ATOM 1817 CB GLU A 114 -0.015 -9.528 -13.089 1.00 1.04 C ATOM 1818 CG GLU A 114 -0.757 -10.855 -12.880 1.00 1.32 C ATOM 1819 CD GLU A 114 0.160 -12.062 -12.983 1.00 1.52 C ATOM 1820 OE1 GLU A 114 1.044 -12.054 -13.863 1.00 1.65 O ATOM 1821 OE2 GLU A 114 -0.062 -12.983 -12.165 1.00 3.00 O ATOM 0 H GLU A 114 0.414 -7.194 -13.748 1.00 0.81 H new ATOM 0 HA GLU A 114 -1.875 -8.528 -12.869 1.00 0.86 H new ATOM 0 HB2 GLU A 114 0.190 -9.382 -14.150 1.00 1.04 H new ATOM 0 HB3 GLU A 114 0.948 -9.559 -12.580 1.00 1.04 H new ATOM 0 HG2 GLU A 114 -1.234 -10.849 -11.900 1.00 1.32 H new ATOM 0 HG3 GLU A 114 -1.551 -10.943 -13.621 1.00 1.32 H new ATOM 1828 N PHE A 115 0.264 -7.781 -10.462 1.00 0.77 N ATOM 1829 CA PHE A 115 0.436 -7.682 -9.022 1.00 0.74 C ATOM 1830 C PHE A 115 -0.705 -6.851 -8.433 1.00 0.76 C ATOM 1831 O PHE A 115 -1.410 -7.309 -7.534 1.00 0.89 O ATOM 1832 CB PHE A 115 1.822 -7.098 -8.705 1.00 0.66 C ATOM 1833 CG PHE A 115 2.037 -6.729 -7.250 1.00 0.60 C ATOM 1834 CD1 PHE A 115 1.857 -7.686 -6.233 1.00 1.85 C ATOM 1835 CD2 PHE A 115 2.355 -5.403 -6.906 1.00 1.96 C ATOM 1836 CE1 PHE A 115 1.909 -7.297 -4.883 1.00 1.86 C ATOM 1837 CE2 PHE A 115 2.456 -5.026 -5.558 1.00 2.00 C ATOM 1838 CZ PHE A 115 2.179 -5.958 -4.546 1.00 0.77 C ATOM 0 H PHE A 115 1.051 -7.413 -10.997 1.00 0.77 H new ATOM 0 HA PHE A 115 0.393 -8.669 -8.561 1.00 0.74 H new ATOM 0 HB2 PHE A 115 2.582 -7.822 -8.998 1.00 0.66 H new ATOM 0 HB3 PHE A 115 1.976 -6.209 -9.317 1.00 0.66 H new ATOM 0 HD1 PHE A 115 1.679 -8.720 -6.490 1.00 1.85 H new ATOM 0 HD2 PHE A 115 2.522 -4.671 -7.683 1.00 1.96 H new ATOM 0 HE1 PHE A 115 1.742 -8.026 -4.104 1.00 1.86 H new ATOM 0 HE2 PHE A 115 2.747 -4.019 -5.299 1.00 2.00 H new ATOM 0 HZ PHE A 115 2.173 -5.648 -3.511 1.00 0.77 H new ATOM 1848 N ALA A 116 -0.915 -5.642 -8.955 1.00 0.72 N ATOM 1849 CA ALA A 116 -1.986 -4.765 -8.507 1.00 0.85 C ATOM 1850 C ALA A 116 -3.345 -5.462 -8.596 1.00 0.80 C ATOM 1851 O ALA A 116 -4.114 -5.432 -7.632 1.00 0.79 O ATOM 1852 CB ALA A 116 -1.977 -3.485 -9.339 1.00 1.05 C ATOM 0 H ALA A 116 -0.343 -5.247 -9.702 1.00 0.72 H new ATOM 0 HA ALA A 116 -1.818 -4.512 -7.460 1.00 0.85 H new ATOM 0 HB1 ALA A 116 -2.779 -2.828 -9.004 1.00 1.05 H new ATOM 0 HB2 ALA A 116 -1.019 -2.979 -9.218 1.00 1.05 H new ATOM 0 HB3 ALA A 116 -2.126 -3.733 -10.390 1.00 1.05 H new ATOM 1858 N LEU A 117 -3.636 -6.073 -9.750 1.00 0.86 N ATOM 1859 CA LEU A 117 -4.868 -6.806 -10.009 1.00 0.93 C ATOM 1860 C LEU A 117 -5.097 -7.842 -8.913 1.00 1.01 C ATOM 1861 O LEU A 117 -6.082 -7.789 -8.181 1.00 1.12 O ATOM 1862 CB LEU A 117 -4.794 -7.483 -11.384 1.00 0.96 C ATOM 1863 CG LEU A 117 -6.127 -7.620 -12.136 1.00 1.10 C ATOM 1864 CD1 LEU A 117 -7.216 -8.257 -11.266 1.00 1.37 C ATOM 1865 CD2 LEU A 117 -6.611 -6.287 -12.712 1.00 1.27 C ATOM 0 H LEU A 117 -3.000 -6.068 -10.547 1.00 0.86 H new ATOM 0 HA LEU A 117 -5.707 -6.110 -10.009 1.00 0.93 H new ATOM 0 HB2 LEU A 117 -4.103 -6.918 -12.009 1.00 0.96 H new ATOM 0 HB3 LEU A 117 -4.367 -8.478 -11.255 1.00 0.96 H new ATOM 0 HG LEU A 117 -5.931 -8.290 -12.973 1.00 1.10 H new ATOM 0 HD11 LEU A 117 -8.140 -8.334 -11.838 1.00 1.37 H new ATOM 0 HD12 LEU A 117 -6.898 -9.252 -10.955 1.00 1.37 H new ATOM 0 HD13 LEU A 117 -7.386 -7.639 -10.385 1.00 1.37 H new ATOM 0 HD21 LEU A 117 -7.556 -6.438 -13.234 1.00 1.27 H new ATOM 0 HD22 LEU A 117 -6.753 -5.571 -11.902 1.00 1.27 H new ATOM 0 HD23 LEU A 117 -5.869 -5.902 -13.411 1.00 1.27 H new ATOM 1877 N LYS A 118 -4.162 -8.788 -8.831 1.00 1.00 N ATOM 1878 CA LYS A 118 -4.206 -9.919 -7.927 1.00 1.08 C ATOM 1879 C LYS A 118 -4.389 -9.438 -6.490 1.00 1.07 C ATOM 1880 O LYS A 118 -5.265 -9.916 -5.772 1.00 1.16 O ATOM 1881 CB LYS A 118 -2.895 -10.702 -8.076 1.00 1.12 C ATOM 1882 CG LYS A 118 -2.777 -11.451 -9.415 1.00 1.41 C ATOM 1883 CD LYS A 118 -3.417 -12.845 -9.329 1.00 1.95 C ATOM 1884 CE LYS A 118 -3.154 -13.697 -10.581 1.00 2.49 C ATOM 1885 NZ LYS A 118 -1.751 -14.153 -10.677 1.00 2.95 N ATOM 0 H LYS A 118 -3.327 -8.781 -9.416 1.00 1.00 H new ATOM 0 HA LYS A 118 -5.050 -10.565 -8.170 1.00 1.08 H new ATOM 0 HB2 LYS A 118 -2.056 -10.013 -7.979 1.00 1.12 H new ATOM 0 HB3 LYS A 118 -2.814 -11.419 -7.259 1.00 1.12 H new ATOM 0 HG2 LYS A 118 -3.262 -10.873 -10.202 1.00 1.41 H new ATOM 0 HG3 LYS A 118 -1.727 -11.546 -9.690 1.00 1.41 H new ATOM 0 HD2 LYS A 118 -3.029 -13.365 -8.453 1.00 1.95 H new ATOM 0 HD3 LYS A 118 -4.492 -12.738 -9.186 1.00 1.95 H new ATOM 0 HE2 LYS A 118 -3.814 -14.565 -10.570 1.00 2.49 H new ATOM 0 HE3 LYS A 118 -3.405 -13.117 -11.469 1.00 2.49 H new ATOM 0 HZ1 LYS A 118 -1.724 -15.110 -11.083 1.00 2.95 H new ATOM 0 HZ2 LYS A 118 -1.216 -13.503 -11.287 1.00 2.95 H new ATOM 0 HZ3 LYS A 118 -1.325 -14.167 -9.728 1.00 2.95 H new ATOM 1899 N SER A 119 -3.543 -8.498 -6.071 1.00 1.01 N ATOM 1900 CA SER A 119 -3.486 -8.085 -4.681 1.00 0.98 C ATOM 1901 C SER A 119 -4.730 -7.301 -4.277 1.00 1.08 C ATOM 1902 O SER A 119 -5.342 -7.594 -3.253 1.00 1.21 O ATOM 1903 CB SER A 119 -2.208 -7.281 -4.424 1.00 0.89 C ATOM 1904 OG SER A 119 -1.095 -7.992 -4.931 1.00 1.31 O ATOM 0 H SER A 119 -2.888 -8.010 -6.682 1.00 1.01 H new ATOM 0 HA SER A 119 -3.462 -8.979 -4.058 1.00 0.98 H new ATOM 0 HB2 SER A 119 -2.278 -6.304 -4.902 1.00 0.89 H new ATOM 0 HB3 SER A 119 -2.085 -7.105 -3.355 1.00 0.89 H new ATOM 0 HG SER A 119 -0.944 -7.739 -5.866 1.00 1.31 H new ATOM 1910 N PHE A 120 -5.055 -6.265 -5.051 1.00 1.07 N ATOM 1911 CA PHE A 120 -6.031 -5.251 -4.668 1.00 1.22 C ATOM 1912 C PHE A 120 -7.159 -5.127 -5.672 1.00 1.30 C ATOM 1913 O PHE A 120 -8.329 -5.214 -5.300 1.00 1.53 O ATOM 1914 CB PHE A 120 -5.321 -3.918 -4.379 1.00 1.20 C ATOM 1915 CG PHE A 120 -4.235 -3.970 -3.313 1.00 1.19 C ATOM 1916 CD1 PHE A 120 -4.317 -4.864 -2.227 1.00 1.68 C ATOM 1917 CD2 PHE A 120 -3.141 -3.089 -3.390 1.00 2.10 C ATOM 1918 CE1 PHE A 120 -3.236 -5.007 -1.343 1.00 1.67 C ATOM 1919 CE2 PHE A 120 -2.118 -3.148 -2.427 1.00 2.18 C ATOM 1920 CZ PHE A 120 -2.136 -4.144 -1.439 1.00 1.32 C ATOM 0 H PHE A 120 -4.642 -6.107 -5.970 1.00 1.07 H new ATOM 0 HA PHE A 120 -6.515 -5.569 -3.744 1.00 1.22 H new ATOM 0 HB2 PHE A 120 -4.878 -3.554 -5.306 1.00 1.20 H new ATOM 0 HB3 PHE A 120 -6.070 -3.186 -4.075 1.00 1.20 H new ATOM 0 HD1 PHE A 120 -5.216 -5.442 -2.074 1.00 1.68 H new ATOM 0 HD2 PHE A 120 -3.087 -2.366 -4.190 1.00 2.10 H new ATOM 0 HE1 PHE A 120 -3.252 -5.781 -0.590 1.00 1.67 H new ATOM 0 HE2 PHE A 120 -1.316 -2.425 -2.448 1.00 2.18 H new ATOM 0 HZ PHE A 120 -1.306 -4.245 -0.756 1.00 1.32 H new ATOM 1930 N LYS A 121 -6.803 -4.869 -6.920 1.00 1.32 N ATOM 1931 CA LYS A 121 -7.348 -3.748 -7.649 1.00 1.82 C ATOM 1932 C LYS A 121 -6.615 -2.479 -7.185 1.00 2.07 C ATOM 1933 O LYS A 121 -6.920 -1.848 -6.177 1.00 3.04 O ATOM 1934 CB LYS A 121 -8.885 -3.709 -7.766 1.00 2.20 C ATOM 1935 CG LYS A 121 -9.596 -2.523 -7.111 1.00 2.58 C ATOM 1936 CD LYS A 121 -9.744 -2.652 -5.607 1.00 2.22 C ATOM 1937 CE LYS A 121 -10.524 -1.498 -4.935 1.00 2.47 C ATOM 1938 NZ LYS A 121 -11.423 -0.739 -5.839 1.00 2.90 N ATOM 0 H LYS A 121 -6.133 -5.429 -7.448 1.00 1.32 H new ATOM 0 HA LYS A 121 -7.140 -3.857 -8.714 1.00 1.82 H new ATOM 0 HB2 LYS A 121 -9.146 -3.719 -8.824 1.00 2.20 H new ATOM 0 HB3 LYS A 121 -9.282 -4.626 -7.331 1.00 2.20 H new ATOM 0 HG2 LYS A 121 -9.043 -1.611 -7.335 1.00 2.58 H new ATOM 0 HG3 LYS A 121 -10.585 -2.414 -7.556 1.00 2.58 H new ATOM 0 HD2 LYS A 121 -10.249 -3.592 -5.384 1.00 2.22 H new ATOM 0 HD3 LYS A 121 -8.751 -2.710 -5.161 1.00 2.22 H new ATOM 0 HE2 LYS A 121 -11.117 -1.908 -4.118 1.00 2.47 H new ATOM 0 HE3 LYS A 121 -9.808 -0.805 -4.493 1.00 2.47 H new ATOM 0 HZ1 LYS A 121 -11.940 -0.021 -5.292 1.00 2.90 H new ATOM 0 HZ2 LYS A 121 -10.859 -0.272 -6.577 1.00 2.90 H new ATOM 0 HZ3 LYS A 121 -12.101 -1.391 -6.282 1.00 2.90 H new ATOM 1952 N ALA A 122 -5.566 -2.134 -7.908 1.00 1.60 N ATOM 1953 CA ALA A 122 -5.053 -0.771 -7.932 1.00 1.76 C ATOM 1954 C ALA A 122 -4.830 -0.355 -9.395 1.00 1.80 C ATOM 1955 O ALA A 122 -5.569 -0.805 -10.268 1.00 2.85 O ATOM 1956 CB ALA A 122 -3.807 -0.659 -7.042 1.00 1.95 C ATOM 0 H ALA A 122 -5.045 -2.786 -8.494 1.00 1.60 H new ATOM 0 HA ALA A 122 -5.771 -0.068 -7.510 1.00 1.76 H new ATOM 0 HB1 ALA A 122 -3.432 0.364 -7.068 1.00 1.95 H new ATOM 0 HB2 ALA A 122 -4.067 -0.925 -6.017 1.00 1.95 H new ATOM 0 HB3 ALA A 122 -3.036 -1.337 -7.408 1.00 1.95 H new ATOM 1962 N ILE A 123 -3.825 0.482 -9.681 1.00 2.15 N ATOM 1963 CA ILE A 123 -3.469 0.850 -11.055 1.00 1.98 C ATOM 1964 C ILE A 123 -3.029 -0.367 -11.878 1.00 1.19 C ATOM 1965 O ILE A 123 -2.748 -1.422 -11.314 1.00 2.83 O ATOM 1966 CB ILE A 123 -2.447 1.995 -11.122 1.00 4.07 C ATOM 1967 CG1 ILE A 123 -1.318 1.905 -10.098 1.00 5.18 C ATOM 1968 CG2 ILE A 123 -3.158 3.341 -10.968 1.00 6.13 C ATOM 1969 CD1 ILE A 123 -0.510 0.607 -10.148 1.00 5.77 C ATOM 0 H ILE A 123 -3.239 0.920 -8.970 1.00 2.15 H new ATOM 0 HA ILE A 123 -4.380 1.234 -11.513 1.00 1.98 H new ATOM 0 HB ILE A 123 -1.978 1.904 -12.102 1.00 4.07 H new ATOM 0 HG12 ILE A 123 -0.640 2.745 -10.250 1.00 5.18 H new ATOM 0 HG13 ILE A 123 -1.742 2.015 -9.100 1.00 5.18 H new ATOM 0 HG21 ILE A 123 -2.426 4.147 -11.017 1.00 6.13 H new ATOM 0 HG22 ILE A 123 -3.885 3.462 -11.771 1.00 6.13 H new ATOM 0 HG23 ILE A 123 -3.670 3.374 -10.006 1.00 6.13 H new ATOM 0 HD11 ILE A 123 0.269 0.633 -9.386 1.00 5.77 H new ATOM 0 HD12 ILE A 123 -1.170 -0.240 -9.963 1.00 5.77 H new ATOM 0 HD13 ILE A 123 -0.052 0.501 -11.131 1.00 5.77 H new ATOM 2201 N SER A 138 -6.237 3.527 0.927 1.00 1.15 N ATOM 2202 CA SER A 138 -6.606 2.689 2.050 1.00 0.94 C ATOM 2203 C SER A 138 -5.472 1.747 2.471 1.00 0.83 C ATOM 2204 O SER A 138 -4.608 1.385 1.674 1.00 1.05 O ATOM 2205 CB SER A 138 -7.853 1.903 1.649 1.00 1.03 C ATOM 2206 OG SER A 138 -8.715 2.752 0.906 1.00 1.38 O ATOM 0 HA SER A 138 -6.809 3.316 2.918 1.00 0.94 H new ATOM 0 HB2 SER A 138 -7.575 1.034 1.053 1.00 1.03 H new ATOM 0 HB3 SER A 138 -8.365 1.530 2.536 1.00 1.03 H new ATOM 0 HG SER A 138 -9.320 2.207 0.361 1.00 1.38 H new ATOM 2212 N PHE A 139 -5.516 1.336 3.736 1.00 0.67 N ATOM 2213 CA PHE A 139 -4.612 0.376 4.341 1.00 0.61 C ATOM 2214 C PHE A 139 -5.016 -1.051 3.971 1.00 0.54 C ATOM 2215 O PHE A 139 -6.204 -1.342 3.844 1.00 0.56 O ATOM 2216 CB PHE A 139 -4.710 0.491 5.864 1.00 0.74 C ATOM 2217 CG PHE A 139 -3.831 1.555 6.470 1.00 0.63 C ATOM 2218 CD1 PHE A 139 -2.435 1.395 6.408 1.00 1.81 C ATOM 2219 CD2 PHE A 139 -4.393 2.574 7.259 1.00 1.74 C ATOM 2220 CE1 PHE A 139 -1.603 2.225 7.170 1.00 1.75 C ATOM 2221 CE2 PHE A 139 -3.559 3.385 8.044 1.00 1.92 C ATOM 2222 CZ PHE A 139 -2.166 3.213 7.991 1.00 0.93 C ATOM 0 H PHE A 139 -6.216 1.682 4.392 1.00 0.67 H new ATOM 0 HA PHE A 139 -3.603 0.585 3.985 1.00 0.61 H new ATOM 0 HB2 PHE A 139 -5.746 0.697 6.134 1.00 0.74 H new ATOM 0 HB3 PHE A 139 -4.451 -0.471 6.305 1.00 0.74 H new ATOM 0 HD1 PHE A 139 -2.005 0.634 5.774 1.00 1.81 H new ATOM 0 HD2 PHE A 139 -5.461 2.732 7.261 1.00 1.74 H new ATOM 0 HE1 PHE A 139 -0.531 2.105 7.125 1.00 1.75 H new ATOM 0 HE2 PHE A 139 -3.987 4.139 8.687 1.00 1.92 H new ATOM 0 HZ PHE A 139 -1.524 3.846 8.586 1.00 0.93 H new ATOM 2232 N TYR A 140 -4.022 -1.939 3.891 1.00 0.55 N ATOM 2233 CA TYR A 140 -4.134 -3.385 3.755 1.00 0.57 C ATOM 2234 C TYR A 140 -3.157 -4.003 4.771 1.00 0.58 C ATOM 2235 O TYR A 140 -2.037 -3.518 4.909 1.00 0.76 O ATOM 2236 CB TYR A 140 -3.783 -3.777 2.307 1.00 0.65 C ATOM 2237 CG TYR A 140 -4.892 -3.531 1.296 1.00 0.70 C ATOM 2238 CD1 TYR A 140 -5.238 -2.221 0.912 1.00 1.77 C ATOM 2239 CD2 TYR A 140 -5.651 -4.610 0.808 1.00 1.96 C ATOM 2240 CE1 TYR A 140 -6.453 -1.988 0.244 1.00 2.01 C ATOM 2241 CE2 TYR A 140 -6.850 -4.380 0.121 1.00 2.00 C ATOM 2242 CZ TYR A 140 -7.302 -3.066 -0.054 1.00 1.27 C ATOM 2243 OH TYR A 140 -8.622 -2.851 -0.299 1.00 1.85 O ATOM 0 H TYR A 140 -3.048 -1.639 3.922 1.00 0.55 H new ATOM 0 HA TYR A 140 -5.143 -3.746 3.955 1.00 0.57 H new ATOM 0 HB2 TYR A 140 -2.898 -3.220 1.998 1.00 0.65 H new ATOM 0 HB3 TYR A 140 -3.518 -4.834 2.285 1.00 0.65 H new ATOM 0 HD1 TYR A 140 -4.573 -1.399 1.130 1.00 1.77 H new ATOM 0 HD2 TYR A 140 -5.307 -5.622 0.964 1.00 1.96 H new ATOM 0 HE1 TYR A 140 -6.732 -0.984 -0.039 1.00 2.01 H new ATOM 0 HE2 TYR A 140 -7.421 -5.209 -0.270 1.00 2.00 H new ATOM 0 HH TYR A 140 -9.161 -3.359 0.343 1.00 1.85 H new ATOM 2253 N LEU A 141 -3.552 -5.044 5.508 1.00 0.65 N ATOM 2254 CA LEU A 141 -2.696 -5.798 6.429 1.00 0.59 C ATOM 2255 C LEU A 141 -2.482 -7.177 5.834 1.00 0.58 C ATOM 2256 O LEU A 141 -3.409 -7.992 5.783 1.00 0.59 O ATOM 2257 CB LEU A 141 -3.337 -5.862 7.821 1.00 0.60 C ATOM 2258 CG LEU A 141 -2.587 -6.767 8.827 1.00 0.60 C ATOM 2259 CD1 LEU A 141 -2.712 -6.145 10.225 1.00 0.82 C ATOM 2260 CD2 LEU A 141 -3.185 -8.181 8.891 1.00 0.85 C ATOM 0 H LEU A 141 -4.508 -5.398 5.480 1.00 0.65 H new ATOM 0 HA LEU A 141 -1.730 -5.308 6.556 1.00 0.59 H new ATOM 0 HB2 LEU A 141 -3.392 -4.853 8.229 1.00 0.60 H new ATOM 0 HB3 LEU A 141 -4.361 -6.222 7.720 1.00 0.60 H new ATOM 0 HG LEU A 141 -1.550 -6.843 8.499 1.00 0.60 H new ATOM 0 HD11 LEU A 141 -2.189 -6.770 10.949 1.00 0.82 H new ATOM 0 HD12 LEU A 141 -2.271 -5.148 10.220 1.00 0.82 H new ATOM 0 HD13 LEU A 141 -3.765 -6.075 10.499 1.00 0.82 H new ATOM 0 HD21 LEU A 141 -2.626 -8.780 9.610 1.00 0.85 H new ATOM 0 HD22 LEU A 141 -4.228 -8.121 9.201 1.00 0.85 H new ATOM 0 HD23 LEU A 141 -3.125 -8.646 7.907 1.00 0.85 H new ATOM 2272 N VAL A 142 -1.265 -7.416 5.341 1.00 0.57 N ATOM 2273 CA VAL A 142 -0.980 -8.583 4.547 1.00 0.59 C ATOM 2274 C VAL A 142 -0.558 -9.705 5.483 1.00 0.70 C ATOM 2275 O VAL A 142 0.415 -9.579 6.226 1.00 0.81 O ATOM 2276 CB VAL A 142 0.062 -8.269 3.473 1.00 0.60 C ATOM 2277 CG1 VAL A 142 0.157 -9.476 2.527 1.00 0.65 C ATOM 2278 CG2 VAL A 142 -0.315 -7.011 2.680 1.00 0.59 C ATOM 0 H VAL A 142 -0.463 -6.803 5.487 1.00 0.57 H new ATOM 0 HA VAL A 142 -1.868 -8.908 4.005 1.00 0.59 H new ATOM 0 HB VAL A 142 1.023 -8.079 3.951 1.00 0.60 H new ATOM 0 HG11 VAL A 142 0.896 -9.273 1.752 1.00 0.65 H new ATOM 0 HG12 VAL A 142 0.457 -10.359 3.092 1.00 0.65 H new ATOM 0 HG13 VAL A 142 -0.814 -9.654 2.065 1.00 0.65 H new ATOM 0 HG21 VAL A 142 0.446 -6.815 1.925 1.00 0.59 H new ATOM 0 HG22 VAL A 142 -1.279 -7.163 2.194 1.00 0.59 H new ATOM 0 HG23 VAL A 142 -0.381 -6.160 3.358 1.00 0.59 H new ATOM 2288 N GLY A 143 -1.309 -10.804 5.463 1.00 0.72 N ATOM 2289 CA GLY A 143 -0.948 -11.988 6.205 1.00 0.89 C ATOM 2290 C GLY A 143 0.408 -12.498 5.727 1.00 0.89 C ATOM 2291 O GLY A 143 0.761 -12.324 4.562 1.00 1.14 O ATOM 0 H GLY A 143 -2.177 -10.889 4.933 1.00 0.72 H new ATOM 0 HA2 GLY A 143 -0.908 -11.763 7.271 1.00 0.89 H new ATOM 0 HA3 GLY A 143 -1.706 -12.759 6.070 1.00 0.89 H new ATOM 2295 N PRO A 144 1.153 -13.170 6.610 1.00 0.84 N ATOM 2296 CA PRO A 144 2.473 -13.698 6.309 1.00 1.08 C ATOM 2297 C PRO A 144 2.361 -14.673 5.139 1.00 0.94 C ATOM 2298 O PRO A 144 3.162 -14.645 4.213 1.00 1.45 O ATOM 2299 CB PRO A 144 2.928 -14.354 7.613 1.00 1.30 C ATOM 2300 CG PRO A 144 1.641 -14.729 8.346 1.00 1.18 C ATOM 2301 CD PRO A 144 0.648 -13.664 7.877 1.00 0.91 C ATOM 0 HA PRO A 144 3.201 -12.949 5.996 1.00 1.08 H new ATOM 0 HB2 PRO A 144 3.540 -15.234 7.418 1.00 1.30 H new ATOM 0 HB3 PRO A 144 3.534 -13.670 8.207 1.00 1.30 H new ATOM 0 HG2 PRO A 144 1.307 -15.733 8.085 1.00 1.18 H new ATOM 0 HG3 PRO A 144 1.773 -14.708 9.428 1.00 1.18 H new ATOM 0 HD2 PRO A 144 -0.350 -14.087 7.760 1.00 0.91 H new ATOM 0 HD3 PRO A 144 0.569 -12.857 8.606 1.00 0.91 H new ATOM 2309 N ASP A 145 1.306 -15.489 5.190 1.00 0.70 N ATOM 2310 CA ASP A 145 0.719 -16.265 4.113 1.00 0.83 C ATOM 2311 C ASP A 145 0.856 -15.616 2.724 1.00 0.89 C ATOM 2312 O ASP A 145 1.304 -16.278 1.789 1.00 1.34 O ATOM 2313 CB ASP A 145 -0.738 -16.481 4.517 1.00 1.32 C ATOM 2314 CG ASP A 145 -1.603 -17.081 3.427 1.00 2.47 C ATOM 2315 OD1 ASP A 145 -1.874 -16.345 2.457 1.00 4.00 O ATOM 2316 OD2 ASP A 145 -2.107 -18.204 3.660 1.00 2.88 O ATOM 0 H ASP A 145 0.802 -15.631 6.065 1.00 0.70 H new ATOM 0 HA ASP A 145 1.252 -17.208 3.992 1.00 0.83 H new ATOM 0 HB2 ASP A 145 -0.768 -17.133 5.390 1.00 1.32 H new ATOM 0 HB3 ASP A 145 -1.165 -15.525 4.819 1.00 1.32 H new ATOM 2321 N GLY A 146 0.455 -14.346 2.587 1.00 1.00 N ATOM 2322 CA GLY A 146 0.256 -13.686 1.299 1.00 1.16 C ATOM 2323 C GLY A 146 -1.144 -13.072 1.215 1.00 0.89 C ATOM 2324 O GLY A 146 -1.344 -12.047 0.565 1.00 0.77 O ATOM 0 H GLY A 146 0.257 -13.741 3.384 1.00 1.00 H new ATOM 0 HA2 GLY A 146 1.008 -12.909 1.163 1.00 1.16 H new ATOM 0 HA3 GLY A 146 0.392 -14.405 0.491 1.00 1.16 H new ATOM 2328 N LYS A 147 -2.121 -13.686 1.885 1.00 1.12 N ATOM 2329 CA LYS A 147 -3.491 -13.197 1.914 1.00 0.94 C ATOM 2330 C LYS A 147 -3.655 -12.017 2.867 1.00 0.76 C ATOM 2331 O LYS A 147 -3.245 -12.087 4.023 1.00 0.80 O ATOM 2332 CB LYS A 147 -4.458 -14.335 2.220 1.00 1.05 C ATOM 2333 CG LYS A 147 -4.321 -14.858 3.646 1.00 1.03 C ATOM 2334 CD LYS A 147 -4.919 -16.267 3.723 1.00 1.23 C ATOM 2335 CE LYS A 147 -4.649 -16.932 5.079 1.00 1.42 C ATOM 2336 NZ LYS A 147 -4.400 -18.378 4.918 1.00 1.86 N ATOM 0 H LYS A 147 -1.978 -14.540 2.424 1.00 1.12 H new ATOM 0 HA LYS A 147 -3.737 -12.816 0.923 1.00 0.94 H new ATOM 0 HB2 LYS A 147 -5.480 -13.991 2.061 1.00 1.05 H new ATOM 0 HB3 LYS A 147 -4.284 -15.152 1.520 1.00 1.05 H new ATOM 0 HG2 LYS A 147 -3.272 -14.878 3.940 1.00 1.03 H new ATOM 0 HG3 LYS A 147 -4.834 -14.193 4.341 1.00 1.03 H new ATOM 0 HD2 LYS A 147 -5.994 -16.214 3.553 1.00 1.23 H new ATOM 0 HD3 LYS A 147 -4.500 -16.883 2.927 1.00 1.23 H new ATOM 0 HE2 LYS A 147 -3.788 -16.462 5.554 1.00 1.42 H new ATOM 0 HE3 LYS A 147 -5.502 -16.777 5.740 1.00 1.42 H new ATOM 0 HZ1 LYS A 147 -4.203 -18.802 5.847 1.00 1.86 H new ATOM 0 HZ2 LYS A 147 -5.239 -18.830 4.501 1.00 1.86 H new ATOM 0 HZ3 LYS A 147 -3.582 -18.522 4.292 1.00 1.86 H new ATOM 2350 N VAL A 148 -4.300 -10.943 2.411 1.00 0.62 N ATOM 2351 CA VAL A 148 -4.644 -9.826 3.275 1.00 0.55 C ATOM 2352 C VAL A 148 -5.832 -10.239 4.130 1.00 0.54 C ATOM 2353 O VAL A 148 -6.779 -10.827 3.610 1.00 0.57 O ATOM 2354 CB VAL A 148 -4.949 -8.556 2.467 1.00 0.53 C ATOM 2355 CG1 VAL A 148 -5.103 -7.345 3.391 1.00 0.86 C ATOM 2356 CG2 VAL A 148 -3.827 -8.277 1.465 1.00 1.10 C ATOM 0 H VAL A 148 -4.594 -10.828 1.441 1.00 0.62 H new ATOM 0 HA VAL A 148 -3.795 -9.582 3.913 1.00 0.55 H new ATOM 0 HB VAL A 148 -5.885 -8.721 1.933 1.00 0.53 H new ATOM 0 HG11 VAL A 148 -5.319 -6.458 2.795 1.00 0.86 H new ATOM 0 HG12 VAL A 148 -5.922 -7.521 4.089 1.00 0.86 H new ATOM 0 HG13 VAL A 148 -4.178 -7.192 3.948 1.00 0.86 H new ATOM 0 HG21 VAL A 148 -4.059 -7.374 0.901 1.00 1.10 H new ATOM 0 HG22 VAL A 148 -2.887 -8.139 2.000 1.00 1.10 H new ATOM 0 HG23 VAL A 148 -3.734 -9.119 0.779 1.00 1.10 H new ATOM 2366 N LEU A 149 -5.737 -9.962 5.434 1.00 0.55 N ATOM 2367 CA LEU A 149 -6.682 -10.420 6.447 1.00 0.56 C ATOM 2368 C LEU A 149 -7.517 -9.275 7.008 1.00 0.53 C ATOM 2369 O LEU A 149 -8.633 -9.514 7.464 1.00 0.56 O ATOM 2370 CB LEU A 149 -5.915 -11.116 7.569 1.00 0.68 C ATOM 2371 CG LEU A 149 -5.364 -12.464 7.084 1.00 0.82 C ATOM 2372 CD1 LEU A 149 -4.032 -12.734 7.784 1.00 1.10 C ATOM 2373 CD2 LEU A 149 -6.355 -13.592 7.385 1.00 1.25 C ATOM 0 H LEU A 149 -4.980 -9.398 5.820 1.00 0.55 H new ATOM 0 HA LEU A 149 -7.374 -11.120 5.978 1.00 0.56 H new ATOM 0 HB2 LEU A 149 -5.096 -10.481 7.906 1.00 0.68 H new ATOM 0 HB3 LEU A 149 -6.571 -11.271 8.425 1.00 0.68 H new ATOM 0 HG LEU A 149 -5.214 -12.425 6.005 1.00 0.82 H new ATOM 0 HD11 LEU A 149 -3.631 -13.690 7.447 1.00 1.10 H new ATOM 0 HD12 LEU A 149 -3.326 -11.939 7.543 1.00 1.10 H new ATOM 0 HD13 LEU A 149 -4.188 -12.766 8.862 1.00 1.10 H new ATOM 0 HD21 LEU A 149 -5.946 -14.539 7.033 1.00 1.25 H new ATOM 0 HD22 LEU A 149 -6.527 -13.648 8.460 1.00 1.25 H new ATOM 0 HD23 LEU A 149 -7.298 -13.393 6.876 1.00 1.25 H new ATOM 2385 N LYS A 150 -6.985 -8.052 6.978 1.00 0.52 N ATOM 2386 CA LYS A 150 -7.711 -6.833 7.308 1.00 0.53 C ATOM 2387 C LYS A 150 -7.327 -5.735 6.321 1.00 0.58 C ATOM 2388 O LYS A 150 -6.198 -5.725 5.836 1.00 0.73 O ATOM 2389 CB LYS A 150 -7.377 -6.371 8.728 1.00 0.61 C ATOM 2390 CG LYS A 150 -8.364 -6.881 9.784 1.00 0.69 C ATOM 2391 CD LYS A 150 -8.239 -6.069 11.087 1.00 1.41 C ATOM 2392 CE LYS A 150 -9.194 -4.862 11.151 1.00 2.58 C ATOM 2393 NZ LYS A 150 -9.079 -3.956 9.991 1.00 3.99 N ATOM 0 H LYS A 150 -6.014 -7.882 6.717 1.00 0.52 H new ATOM 0 HA LYS A 150 -8.780 -7.037 7.248 1.00 0.53 H new ATOM 0 HB2 LYS A 150 -6.374 -6.710 8.986 1.00 0.61 H new ATOM 0 HB3 LYS A 150 -7.361 -5.281 8.753 1.00 0.61 H new ATOM 0 HG2 LYS A 150 -9.382 -6.809 9.402 1.00 0.69 H new ATOM 0 HG3 LYS A 150 -8.174 -7.935 9.987 1.00 0.69 H new ATOM 0 HD2 LYS A 150 -8.437 -6.725 11.935 1.00 1.41 H new ATOM 0 HD3 LYS A 150 -7.213 -5.716 11.189 1.00 1.41 H new ATOM 0 HE2 LYS A 150 -10.220 -5.224 11.218 1.00 2.58 H new ATOM 0 HE3 LYS A 150 -8.994 -4.299 12.063 1.00 2.58 H new ATOM 0 HZ1 LYS A 150 -9.866 -3.277 10.002 1.00 3.99 H new ATOM 0 HZ2 LYS A 150 -8.177 -3.441 10.041 1.00 3.99 H new ATOM 0 HZ3 LYS A 150 -9.113 -4.511 9.112 1.00 3.99 H new ATOM 2407 N ASP A 151 -8.240 -4.787 6.120 1.00 0.59 N ATOM 2408 CA ASP A 151 -8.003 -3.490 5.506 1.00 0.66 C ATOM 2409 C ASP A 151 -8.122 -2.437 6.616 1.00 1.14 C ATOM 2410 O ASP A 151 -8.230 -2.781 7.795 1.00 1.92 O ATOM 2411 CB ASP A 151 -8.970 -3.239 4.334 1.00 0.79 C ATOM 2412 CG ASP A 151 -8.651 -4.017 3.059 1.00 1.10 C ATOM 2413 OD1 ASP A 151 -7.731 -4.860 3.090 1.00 2.13 O ATOM 2414 OD2 ASP A 151 -9.337 -3.744 2.046 1.00 2.29 O ATOM 0 H ASP A 151 -9.214 -4.913 6.397 1.00 0.59 H new ATOM 0 HA ASP A 151 -7.007 -3.441 5.065 1.00 0.66 H new ATOM 0 HB2 ASP A 151 -9.980 -3.494 4.655 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -8.968 -2.174 4.102 1.00 0.79 H new ATOM 2419 N TYR A 152 -7.983 -1.156 6.280 1.00 0.89 N ATOM 2420 CA TYR A 152 -8.548 -0.042 7.032 1.00 0.91 C ATOM 2421 C TYR A 152 -8.550 1.149 6.070 1.00 0.79 C ATOM 2422 O TYR A 152 -7.897 1.082 5.030 1.00 0.79 O ATOM 2423 CB TYR A 152 -7.813 0.247 8.355 1.00 1.10 C ATOM 2424 CG TYR A 152 -8.567 1.188 9.281 1.00 1.69 C ATOM 2425 CD1 TYR A 152 -9.861 0.856 9.733 1.00 2.79 C ATOM 2426 CD2 TYR A 152 -7.989 2.409 9.678 1.00 3.26 C ATOM 2427 CE1 TYR A 152 -10.610 1.783 10.483 1.00 4.21 C ATOM 2428 CE2 TYR A 152 -8.740 3.332 10.427 1.00 4.62 C ATOM 2429 CZ TYR A 152 -10.057 3.032 10.815 1.00 4.86 C ATOM 2430 OH TYR A 152 -10.735 3.935 11.575 1.00 6.50 O ATOM 0 H TYR A 152 -7.461 -0.859 5.456 1.00 0.89 H new ATOM 0 HA TYR A 152 -9.558 -0.278 7.366 1.00 0.91 H new ATOM 0 HB2 TYR A 152 -7.635 -0.695 8.875 1.00 1.10 H new ATOM 0 HB3 TYR A 152 -6.837 0.677 8.131 1.00 1.10 H new ATOM 0 HD1 TYR A 152 -10.279 -0.113 9.503 1.00 2.79 H new ATOM 0 HD2 TYR A 152 -6.969 2.637 9.407 1.00 3.26 H new ATOM 0 HE1 TYR A 152 -11.611 1.534 10.804 1.00 4.21 H new ATOM 0 HE2 TYR A 152 -8.301 4.279 10.706 1.00 4.62 H new ATOM 0 HH TYR A 152 -10.186 4.738 11.697 1.00 6.50 H new ATOM 2440 N ASN A 153 -9.233 2.249 6.385 1.00 0.89 N ATOM 2441 CA ASN A 153 -9.243 3.412 5.502 1.00 0.92 C ATOM 2442 C ASN A 153 -8.272 4.496 5.952 1.00 1.36 C ATOM 2443 O ASN A 153 -7.812 5.296 5.144 1.00 2.55 O ATOM 2444 CB ASN A 153 -10.670 3.915 5.387 1.00 1.03 C ATOM 2445 CG ASN A 153 -10.803 5.115 4.453 1.00 1.33 C ATOM 2446 OD1 ASN A 153 -10.172 5.185 3.405 1.00 1.90 O ATOM 2447 ND2 ASN A 153 -11.634 6.078 4.824 1.00 1.81 N ATOM 0 H ASN A 153 -9.782 2.358 7.238 1.00 0.89 H new ATOM 0 HA ASN A 153 -8.888 3.117 4.515 1.00 0.92 H new ATOM 0 HB2 ASN A 153 -11.307 3.107 5.026 1.00 1.03 H new ATOM 0 HB3 ASN A 153 -11.034 4.189 6.377 1.00 1.03 H new ATOM 0 HD21 ASN A 153 -11.759 6.900 4.233 1.00 1.81 H new ATOM 0 HD22 ASN A 153 -12.149 5.998 5.701 1.00 1.81 H new ATOM 2520 N PRO A 159 -14.016 1.752 6.130 1.00 1.14 N ATOM 2521 CA PRO A 159 -12.767 1.071 6.457 1.00 1.06 C ATOM 2522 C PRO A 159 -12.225 0.137 5.378 1.00 1.07 C ATOM 2523 O PRO A 159 -11.018 -0.051 5.322 1.00 1.38 O ATOM 2524 CB PRO A 159 -12.979 0.355 7.795 1.00 1.29 C ATOM 2525 CG PRO A 159 -14.492 0.348 7.982 1.00 1.35 C ATOM 2526 CD PRO A 159 -14.925 1.618 7.255 1.00 1.31 C ATOM 0 HA PRO A 159 -11.982 1.824 6.528 1.00 1.06 H new ATOM 0 HB2 PRO A 159 -12.576 -0.658 7.773 1.00 1.29 H new ATOM 0 HB3 PRO A 159 -12.480 0.879 8.610 1.00 1.29 H new ATOM 0 HG2 PRO A 159 -14.949 -0.542 7.550 1.00 1.35 H new ATOM 0 HG3 PRO A 159 -14.770 0.370 9.036 1.00 1.35 H new ATOM 0 HD2 PRO A 159 -15.959 1.543 6.917 1.00 1.31 H new ATOM 0 HD3 PRO A 159 -14.866 2.486 7.912 1.00 1.31 H new ATOM 2534 N TYR A 160 -13.105 -0.445 4.560 1.00 1.03 N ATOM 2535 CA TYR A 160 -12.934 -1.481 3.567 1.00 1.21 C ATOM 2536 C TYR A 160 -13.014 -2.848 4.224 1.00 1.46 C ATOM 2537 O TYR A 160 -13.509 -3.734 3.559 1.00 1.57 O ATOM 2538 CB TYR A 160 -11.623 -1.409 2.775 1.00 1.64 C ATOM 2539 CG TYR A 160 -11.403 -0.415 1.648 1.00 1.85 C ATOM 2540 CD1 TYR A 160 -12.466 0.242 0.995 1.00 2.38 C ATOM 2541 CD2 TYR A 160 -10.135 -0.437 1.036 1.00 2.79 C ATOM 2542 CE1 TYR A 160 -12.273 0.790 -0.289 1.00 2.69 C ATOM 2543 CE2 TYR A 160 -9.948 0.094 -0.251 1.00 3.09 C ATOM 2544 CZ TYR A 160 -11.024 0.687 -0.927 1.00 2.60 C ATOM 2545 OH TYR A 160 -10.867 1.112 -2.214 1.00 3.10 O ATOM 0 H TYR A 160 -14.082 -0.153 4.593 1.00 1.03 H new ATOM 0 HA TYR A 160 -13.743 -1.320 2.854 1.00 1.21 H new ATOM 0 HB2 TYR A 160 -10.829 -1.237 3.502 1.00 1.64 H new ATOM 0 HB3 TYR A 160 -11.459 -2.400 2.353 1.00 1.64 H new ATOM 0 HD1 TYR A 160 -13.428 0.325 1.479 1.00 2.38 H new ATOM 0 HD2 TYR A 160 -9.296 -0.867 1.563 1.00 2.79 H new ATOM 0 HE1 TYR A 160 -13.090 1.292 -0.786 1.00 2.69 H new ATOM 0 HE2 TYR A 160 -8.976 0.046 -0.720 1.00 3.09 H new ATOM 0 HH TYR A 160 -9.940 0.967 -2.496 1.00 3.10 H new ATOM 2555 N ASP A 161 -12.756 -3.029 5.523 1.00 1.68 N ATOM 2556 CA ASP A 161 -12.767 -4.372 6.104 1.00 2.03 C ATOM 2557 C ASP A 161 -14.085 -5.076 5.806 1.00 1.75 C ATOM 2558 O ASP A 161 -14.124 -6.144 5.202 1.00 1.73 O ATOM 2559 CB ASP A 161 -12.610 -4.293 7.619 1.00 2.61 C ATOM 2560 CG ASP A 161 -11.220 -3.949 8.075 1.00 3.11 C ATOM 2561 OD1 ASP A 161 -10.307 -4.778 7.855 1.00 3.42 O ATOM 2562 OD2 ASP A 161 -11.058 -2.908 8.753 1.00 3.98 O ATOM 0 H ASP A 161 -12.541 -2.278 6.179 1.00 1.68 H new ATOM 0 HA ASP A 161 -11.939 -4.929 5.664 1.00 2.03 H new ATOM 0 HB2 ASP A 161 -13.303 -3.547 8.007 1.00 2.61 H new ATOM 0 HB3 ASP A 161 -12.897 -5.251 8.054 1.00 2.61 H new ATOM 2567 N ASP A 162 -15.157 -4.395 6.190 1.00 1.63 N ATOM 2568 CA ASP A 162 -16.528 -4.851 6.098 1.00 1.68 C ATOM 2569 C ASP A 162 -16.845 -5.075 4.626 1.00 1.32 C ATOM 2570 O ASP A 162 -17.031 -6.192 4.169 1.00 1.36 O ATOM 2571 CB ASP A 162 -17.436 -3.792 6.743 1.00 1.85 C ATOM 2572 CG ASP A 162 -18.876 -3.899 6.264 1.00 2.42 C ATOM 2573 OD1 ASP A 162 -19.556 -4.855 6.686 1.00 3.62 O ATOM 2574 OD2 ASP A 162 -19.253 -3.015 5.466 1.00 2.78 O ATOM 0 H ASP A 162 -15.084 -3.461 6.594 1.00 1.63 H new ATOM 0 HA ASP A 162 -16.690 -5.790 6.628 1.00 1.68 H new ATOM 0 HB2 ASP A 162 -17.407 -3.903 7.827 1.00 1.85 H new ATOM 0 HB3 ASP A 162 -17.052 -2.798 6.513 1.00 1.85 H new ATOM 2579 N ILE A 163 -16.833 -3.973 3.892 1.00 1.12 N ATOM 2580 CA ILE A 163 -17.106 -3.856 2.468 1.00 1.08 C ATOM 2581 C ILE A 163 -16.369 -4.937 1.654 1.00 1.00 C ATOM 2582 O ILE A 163 -16.982 -5.770 0.989 1.00 1.08 O ATOM 2583 CB ILE A 163 -16.728 -2.437 2.006 1.00 1.17 C ATOM 2584 CG1 ILE A 163 -17.298 -1.363 2.952 1.00 1.31 C ATOM 2585 CG2 ILE A 163 -17.226 -2.194 0.576 1.00 1.53 C ATOM 2586 CD1 ILE A 163 -16.223 -0.796 3.894 1.00 1.28 C ATOM 0 H ILE A 163 -16.615 -3.068 4.309 1.00 1.12 H new ATOM 0 HA ILE A 163 -18.169 -4.019 2.292 1.00 1.08 H new ATOM 0 HB ILE A 163 -15.641 -2.361 2.027 1.00 1.17 H new ATOM 0 HG12 ILE A 163 -17.728 -0.553 2.363 1.00 1.31 H new ATOM 0 HG13 ILE A 163 -18.107 -1.793 3.542 1.00 1.31 H new ATOM 0 HG21 ILE A 163 -16.952 -1.187 0.262 1.00 1.53 H new ATOM 0 HG22 ILE A 163 -16.770 -2.921 -0.096 1.00 1.53 H new ATOM 0 HG23 ILE A 163 -18.310 -2.301 0.545 1.00 1.53 H new ATOM 0 HD11 ILE A 163 -16.669 -0.042 4.543 1.00 1.28 H new ATOM 0 HD12 ILE A 163 -15.811 -1.601 4.502 1.00 1.28 H new ATOM 0 HD13 ILE A 163 -15.426 -0.342 3.305 1.00 1.28 H new ATOM 2598 N ILE A 164 -15.035 -4.905 1.671 1.00 1.01 N ATOM 2599 CA ILE A 164 -14.171 -5.837 0.977 1.00 1.14 C ATOM 2600 C ILE A 164 -14.446 -7.253 1.464 1.00 1.09 C ATOM 2601 O ILE A 164 -14.638 -8.118 0.617 1.00 1.09 O ATOM 2602 CB ILE A 164 -12.705 -5.397 1.125 1.00 1.47 C ATOM 2603 CG1 ILE A 164 -12.369 -4.266 0.136 1.00 1.73 C ATOM 2604 CG2 ILE A 164 -11.688 -6.513 0.896 1.00 1.73 C ATOM 2605 CD1 ILE A 164 -13.362 -3.108 0.024 1.00 1.71 C ATOM 0 H ILE A 164 -14.516 -4.198 2.191 1.00 1.01 H new ATOM 0 HA ILE A 164 -14.381 -5.837 -0.093 1.00 1.14 H new ATOM 0 HB ILE A 164 -12.624 -5.068 2.161 1.00 1.47 H new ATOM 0 HG12 ILE A 164 -11.400 -3.852 0.415 1.00 1.73 H new ATOM 0 HG13 ILE A 164 -12.254 -4.708 -0.854 1.00 1.73 H new ATOM 0 HG21 ILE A 164 -10.680 -6.117 1.019 1.00 1.73 H new ATOM 0 HG22 ILE A 164 -11.855 -7.312 1.619 1.00 1.73 H new ATOM 0 HG23 ILE A 164 -11.802 -6.907 -0.114 1.00 1.73 H new ATOM 0 HD11 ILE A 164 -12.998 -2.386 -0.708 1.00 1.71 H new ATOM 0 HD12 ILE A 164 -14.332 -3.490 -0.294 1.00 1.71 H new ATOM 0 HD13 ILE A 164 -13.464 -2.621 0.994 1.00 1.71 H new ATOM 2617 N SER A 165 -14.496 -7.508 2.779 1.00 1.20 N ATOM 2618 CA SER A 165 -14.856 -8.832 3.285 1.00 1.37 C ATOM 2619 C SER A 165 -16.155 -9.286 2.622 1.00 1.23 C ATOM 2620 O SER A 165 -16.247 -10.412 2.136 1.00 1.29 O ATOM 2621 CB SER A 165 -15.062 -8.834 4.807 1.00 1.78 C ATOM 2622 OG SER A 165 -15.386 -10.135 5.254 1.00 2.53 O ATOM 0 H SER A 165 -14.293 -6.819 3.503 1.00 1.20 H new ATOM 0 HA SER A 165 -14.034 -9.508 3.050 1.00 1.37 H new ATOM 0 HB2 SER A 165 -14.157 -8.486 5.304 1.00 1.78 H new ATOM 0 HB3 SER A 165 -15.859 -8.141 5.074 1.00 1.78 H new ATOM 0 HG SER A 165 -16.078 -10.080 5.946 1.00 2.53 H new ATOM 2628 N ASP A 166 -17.152 -8.396 2.586 1.00 1.20 N ATOM 2629 CA ASP A 166 -18.478 -8.758 2.105 1.00 1.38 C ATOM 2630 C ASP A 166 -18.415 -9.142 0.626 1.00 1.32 C ATOM 2631 O ASP A 166 -18.759 -10.263 0.250 1.00 1.46 O ATOM 2632 CB ASP A 166 -19.472 -7.624 2.361 1.00 1.54 C ATOM 2633 CG ASP A 166 -20.826 -7.988 1.769 1.00 1.86 C ATOM 2634 OD1 ASP A 166 -21.550 -8.759 2.434 1.00 2.93 O ATOM 2635 OD2 ASP A 166 -21.091 -7.523 0.640 1.00 2.13 O ATOM 0 H ASP A 166 -17.061 -7.425 2.884 1.00 1.20 H new ATOM 0 HA ASP A 166 -18.833 -9.628 2.658 1.00 1.38 H new ATOM 0 HB2 ASP A 166 -19.568 -7.446 3.432 1.00 1.54 H new ATOM 0 HB3 ASP A 166 -19.106 -6.699 1.916 1.00 1.54 H new ATOM 2640 N VAL A 167 -17.914 -8.232 -0.207 1.00 1.23 N ATOM 2641 CA VAL A 167 -17.804 -8.444 -1.644 1.00 1.37 C ATOM 2642 C VAL A 167 -16.944 -9.680 -1.946 1.00 1.24 C ATOM 2643 O VAL A 167 -17.291 -10.506 -2.792 1.00 1.40 O ATOM 2644 CB VAL A 167 -17.252 -7.165 -2.299 1.00 1.49 C ATOM 2645 CG1 VAL A 167 -16.983 -7.369 -3.794 1.00 1.79 C ATOM 2646 CG2 VAL A 167 -18.251 -6.008 -2.147 1.00 1.68 C ATOM 0 H VAL A 167 -17.571 -7.322 0.101 1.00 1.23 H new ATOM 0 HA VAL A 167 -18.788 -8.644 -2.069 1.00 1.37 H new ATOM 0 HB VAL A 167 -16.316 -6.928 -1.793 1.00 1.49 H new ATOM 0 HG11 VAL A 167 -16.594 -6.445 -4.223 1.00 1.79 H new ATOM 0 HG12 VAL A 167 -16.252 -8.167 -3.927 1.00 1.79 H new ATOM 0 HG13 VAL A 167 -17.911 -7.640 -4.297 1.00 1.79 H new ATOM 0 HG21 VAL A 167 -17.844 -5.112 -2.616 1.00 1.68 H new ATOM 0 HG22 VAL A 167 -19.192 -6.274 -2.629 1.00 1.68 H new ATOM 0 HG23 VAL A 167 -18.427 -5.816 -1.089 1.00 1.68 H new ATOM 2656 N LYS A 168 -15.803 -9.808 -1.271 1.00 1.06 N ATOM 2657 CA LYS A 168 -14.909 -10.946 -1.415 1.00 1.07 C ATOM 2658 C LYS A 168 -15.648 -12.239 -1.065 1.00 1.08 C ATOM 2659 O LYS A 168 -15.601 -13.203 -1.826 1.00 1.16 O ATOM 2660 CB LYS A 168 -13.679 -10.738 -0.524 1.00 1.26 C ATOM 2661 CG LYS A 168 -12.604 -9.737 -1.007 1.00 1.87 C ATOM 2662 CD LYS A 168 -12.957 -8.654 -2.048 1.00 2.62 C ATOM 2663 CE LYS A 168 -13.081 -9.178 -3.489 1.00 2.65 C ATOM 2664 NZ LYS A 168 -12.574 -8.219 -4.491 1.00 3.56 N ATOM 0 H LYS A 168 -15.473 -9.113 -0.601 1.00 1.06 H new ATOM 0 HA LYS A 168 -14.573 -11.029 -2.449 1.00 1.07 H new ATOM 0 HB2 LYS A 168 -14.026 -10.411 0.456 1.00 1.26 H new ATOM 0 HB3 LYS A 168 -13.198 -11.706 -0.385 1.00 1.26 H new ATOM 0 HG2 LYS A 168 -12.222 -9.223 -0.125 1.00 1.87 H new ATOM 0 HG3 LYS A 168 -11.780 -10.322 -1.417 1.00 1.87 H new ATOM 0 HD2 LYS A 168 -13.898 -8.185 -1.762 1.00 2.62 H new ATOM 0 HD3 LYS A 168 -12.193 -7.877 -2.021 1.00 2.62 H new ATOM 0 HE2 LYS A 168 -12.532 -10.115 -3.579 1.00 2.65 H new ATOM 0 HE3 LYS A 168 -14.127 -9.400 -3.702 1.00 2.65 H new ATOM 0 HZ1 LYS A 168 -12.619 -8.649 -5.437 1.00 3.56 H new ATOM 0 HZ2 LYS A 168 -13.157 -7.358 -4.474 1.00 3.56 H new ATOM 0 HZ3 LYS A 168 -11.588 -7.973 -4.269 1.00 3.56 H new ATOM 2678 N SER A 169 -16.346 -12.264 0.071 1.00 1.19 N ATOM 2679 CA SER A 169 -17.142 -13.404 0.505 1.00 1.47 C ATOM 2680 C SER A 169 -18.163 -13.775 -0.565 1.00 1.62 C ATOM 2681 O SER A 169 -18.181 -14.913 -1.034 1.00 1.74 O ATOM 2682 CB SER A 169 -17.789 -13.098 1.864 1.00 1.79 C ATOM 2683 OG SER A 169 -18.488 -14.224 2.356 1.00 2.12 O ATOM 0 H SER A 169 -16.372 -11.480 0.722 1.00 1.19 H new ATOM 0 HA SER A 169 -16.500 -14.275 0.640 1.00 1.47 H new ATOM 0 HB2 SER A 169 -17.021 -12.801 2.578 1.00 1.79 H new ATOM 0 HB3 SER A 169 -18.473 -12.256 1.764 1.00 1.79 H new ATOM 0 HG SER A 169 -18.890 -14.006 3.223 1.00 2.12 H new ATOM 2689 N ALA A 170 -18.969 -12.797 -0.981 1.00 1.72 N ATOM 2690 CA ALA A 170 -19.945 -12.950 -2.049 1.00 2.00 C ATOM 2691 C ALA A 170 -19.301 -13.561 -3.298 1.00 1.93 C ATOM 2692 O ALA A 170 -19.904 -14.423 -3.935 1.00 2.19 O ATOM 2693 CB ALA A 170 -20.603 -11.603 -2.355 1.00 2.13 C ATOM 0 H ALA A 170 -18.958 -11.861 -0.575 1.00 1.72 H new ATOM 0 HA ALA A 170 -20.722 -13.640 -1.719 1.00 2.00 H new ATOM 0 HB1 ALA A 170 -21.332 -11.728 -3.156 1.00 2.13 H new ATOM 0 HB2 ALA A 170 -21.105 -11.232 -1.462 1.00 2.13 H new ATOM 0 HB3 ALA A 170 -19.841 -10.888 -2.666 1.00 2.13 H new ATOM 2699 N SER A 171 -18.082 -13.128 -3.641 1.00 1.67 N ATOM 2700 CA SER A 171 -17.295 -13.761 -4.689 1.00 1.71 C ATOM 2701 C SER A 171 -16.849 -15.179 -4.286 1.00 1.70 C ATOM 2702 O SER A 171 -17.486 -16.154 -4.675 1.00 2.32 O ATOM 2703 CB SER A 171 -16.117 -12.859 -5.094 1.00 1.69 C ATOM 2704 OG SER A 171 -16.589 -11.636 -5.623 1.00 2.27 O ATOM 0 H SER A 171 -17.621 -12.333 -3.199 1.00 1.67 H new ATOM 0 HA SER A 171 -17.926 -13.884 -5.569 1.00 1.71 H new ATOM 0 HB2 SER A 171 -15.484 -12.667 -4.228 1.00 1.69 H new ATOM 0 HB3 SER A 171 -15.499 -13.368 -5.834 1.00 1.69 H new ATOM 0 HG SER A 171 -16.892 -11.059 -4.892 1.00 2.27 H new ATOM 2710 N THR A 172 -15.708 -15.317 -3.602 1.00 1.38 N ATOM 2711 CA THR A 172 -15.016 -16.583 -3.382 1.00 1.46 C ATOM 2712 C THR A 172 -14.267 -16.555 -2.046 1.00 1.67 C ATOM 2713 O THR A 172 -13.346 -17.339 -1.822 1.00 1.84 O ATOM 2714 CB THR A 172 -14.026 -16.809 -4.536 1.00 2.25 C ATOM 2715 OG1 THR A 172 -13.048 -15.792 -4.532 1.00 3.75 O ATOM 2716 CG2 THR A 172 -14.717 -16.736 -5.894 1.00 2.99 C ATOM 0 H THR A 172 -15.229 -14.524 -3.175 1.00 1.38 H new ATOM 0 HA THR A 172 -15.741 -17.396 -3.350 1.00 1.46 H new ATOM 0 HB THR A 172 -13.590 -17.797 -4.389 1.00 2.25 H new ATOM 0 HG1 THR A 172 -12.418 -15.941 -5.268 1.00 3.75 H new ATOM 0 HG21 THR A 172 -13.985 -16.901 -6.684 1.00 2.99 H new ATOM 0 HG22 THR A 172 -15.490 -17.502 -5.950 1.00 2.99 H new ATOM 0 HG23 THR A 172 -15.171 -15.753 -6.019 1.00 2.99 H new