USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1104 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 111 CYS SG : rot -140:sc= -2.94 USER MOD Set 1.2: A 116 LYS NZ :NH3+ -124:sc= 0.95 (180deg=-0.222) USER MOD Set 2.1: A 63 CYS SG : rot -49:sc= 0.0871 USER MOD Set 2.2: A 68 LYS NZ :NH3+ 140:sc= 1.14 (180deg=-0.0289) USER MOD Set 3.1: A 24 ASN : amide:sc= 0.571 K(o=0.64,f=-9.3!) USER MOD Set 3.2: A 64 LYS NZ :NH3+ -168:sc= 0.0735 (180deg=0) USER MOD Set 4.1: A 17 ASN :FLIP amide:sc= -0.151 F(o=-1.1,f=-0.15) USER MOD Set 4.2: A 55 SER OG : rot 152:sc= 0 USER MOD Set 5.1: A 10 MET CE :methyl -115:sc= -3.05! (180deg=-1.46!) USER MOD Set 5.2: A 51 HIS : no HD1:sc= -0.818 X(o=-3.9,f=-4.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 73:sc= 0.684 USER MOD Single : A 18 SER OG : rot 71:sc= 0.0446 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 71:sc= 1.23 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= -3.45 (180deg=-3.55) USER MOD Single : A 35 MET CE :methyl 169:sc= -2.89 (180deg=-3.13!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.0261 F(o=-0.6,f=-0.026) USER MOD Single : A 39 THR OG1 : rot 74:sc= 0.703 USER MOD Single : A 40 LYS NZ :NH3+ -151:sc= -0.0935 (180deg=-0.893) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc=-0.00426 (180deg=-0.104) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -30:sc= -1.65 USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= -0.0721 (180deg=-0.512) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -21:sc= 0.871 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 170:sc= 0 USER MOD Single : A 81 GLN :FLIP amide:sc= -1.01 F(o=-2.1,f=-1) USER MOD Single : A 82 SER OG : rot 160:sc= -0.236 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.433 F(o=-1.7,f=-0.43) USER MOD Single : A 85 GLN :FLIP amide:sc= -3.63! C(o=-5.3!,f=-3.6!) USER MOD Single : A 98 SER OG : rot -37:sc= 0.667 USER MOD Single : A 99 ASN : amide:sc= -2.33! X(o=-2.3!,f=-2.6) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 160:sc= -0.83 USER MOD Single : A 106 GLN : amide:sc= 0.349 K(o=0.35,f=-1.1!) USER MOD Single : A 107 ASN : amide:sc= -1.68 K(o=-1.7,f=-2.6!) USER MOD Single : A 109 TYR OH : rot -110:sc= 1.01 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 128 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00141) USER MOD Single : A 129 ASN : amide:sc= -0.349 K(o=-0.35,f=-0.97) USER MOD Single : A 130 ASN : amide:sc= -1.01 K(o=-1,f=-2.5) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 138 GLN : amide:sc= 0.428 K(o=0.43,f=-0.11) USER MOD Single : A 143 MET CE :methyl -149:sc= -3.08 (180deg=-5.46!) USER MOD ----------------------------------------------------------------- ATOM 92 N MET A 10 -16.779 11.823 2.146 1.00 0.00 N ATOM 93 CA MET A 10 -15.569 11.089 1.794 1.00 0.00 C ATOM 94 C MET A 10 -15.909 9.828 1.007 1.00 0.00 C ATOM 95 O MET A 10 -15.348 8.761 1.255 1.00 0.00 O ATOM 96 CB MET A 10 -14.786 10.721 3.056 1.00 0.00 C ATOM 97 CG MET A 10 -14.357 11.926 3.878 1.00 0.00 C ATOM 98 SD MET A 10 -13.338 11.472 5.295 1.00 0.00 S ATOM 99 CE MET A 10 -12.065 10.496 4.498 1.00 0.00 C ATOM 0 HA MET A 10 -14.952 11.732 1.167 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.399 10.068 3.677 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.901 10.152 2.772 1.00 0.00 H new ATOM 0 HG2 MET A 10 -13.802 12.616 3.242 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.243 12.457 4.227 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.128 9.464 4.843 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.206 10.527 3.418 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.085 10.903 4.748 1.00 0.00 H new ATOM 109 N GLU A 11 -16.829 9.958 0.056 1.00 0.00 N ATOM 110 CA GLU A 11 -17.243 8.827 -0.766 1.00 0.00 C ATOM 111 C GLU A 11 -16.068 8.285 -1.576 1.00 0.00 C ATOM 112 O GLU A 11 -15.878 7.074 -1.678 1.00 0.00 O ATOM 113 CB GLU A 11 -18.377 9.240 -1.707 1.00 0.00 C ATOM 114 CG GLU A 11 -18.929 8.092 -2.535 1.00 0.00 C ATOM 115 CD GLU A 11 -20.250 8.433 -3.196 1.00 0.00 C ATOM 116 OE1 GLU A 11 -21.209 8.768 -2.470 1.00 0.00 O ATOM 117 OE2 GLU A 11 -20.326 8.363 -4.441 1.00 0.00 O ATOM 0 H GLU A 11 -17.301 10.835 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.600 8.039 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.186 9.675 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.016 10.020 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.203 7.820 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.061 7.219 -1.896 1.00 0.00 H new ATOM 124 N ALA A 12 -15.284 9.192 -2.150 1.00 0.00 N ATOM 125 CA ALA A 12 -14.127 8.805 -2.949 1.00 0.00 C ATOM 126 C ALA A 12 -13.241 7.823 -2.192 1.00 0.00 C ATOM 127 O ALA A 12 -12.884 6.765 -2.711 1.00 0.00 O ATOM 128 CB ALA A 12 -13.329 10.037 -3.352 1.00 0.00 C ATOM 0 H ALA A 12 -15.429 10.199 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.488 8.308 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.468 9.734 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.961 10.703 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.986 10.557 -2.458 1.00 0.00 H new ATOM 134 N VAL A 13 -12.887 8.179 -0.961 1.00 0.00 N ATOM 135 CA VAL A 13 -12.042 7.328 -0.132 1.00 0.00 C ATOM 136 C VAL A 13 -12.665 5.949 0.055 1.00 0.00 C ATOM 137 O VAL A 13 -12.161 4.952 -0.462 1.00 0.00 O ATOM 138 CB VAL A 13 -11.794 7.959 1.251 1.00 0.00 C ATOM 139 CG1 VAL A 13 -11.022 7.001 2.145 1.00 0.00 C ATOM 140 CG2 VAL A 13 -11.056 9.281 1.109 1.00 0.00 C ATOM 0 H VAL A 13 -13.173 9.051 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.090 7.226 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.759 8.156 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.856 7.464 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.594 6.082 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.061 6.769 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.889 9.713 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.097 9.111 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.652 9.968 0.509 1.00 0.00 H new ATOM 150 N LYS A 14 -13.766 5.899 0.798 1.00 0.00 N ATOM 151 CA LYS A 14 -14.461 4.643 1.053 1.00 0.00 C ATOM 152 C LYS A 14 -14.363 3.713 -0.152 1.00 0.00 C ATOM 153 O LYS A 14 -14.204 2.501 -0.003 1.00 0.00 O ATOM 154 CB LYS A 14 -15.931 4.909 1.387 1.00 0.00 C ATOM 155 CG LYS A 14 -16.127 5.803 2.599 1.00 0.00 C ATOM 156 CD LYS A 14 -17.461 6.529 2.547 1.00 0.00 C ATOM 157 CE LYS A 14 -17.442 7.791 3.395 1.00 0.00 C ATOM 158 NZ LYS A 14 -17.855 7.521 4.800 1.00 0.00 N ATOM 0 H LYS A 14 -14.196 6.715 1.234 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.983 4.158 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.413 5.369 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.433 3.958 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.074 5.203 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.317 6.531 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.696 6.787 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.251 5.866 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.440 8.219 3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.109 8.533 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.829 8.406 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.821 7.136 4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.204 6.832 5.227 1.00 0.00 H new ATOM 172 N THR A 15 -14.457 4.287 -1.347 1.00 0.00 N ATOM 173 CA THR A 15 -14.379 3.510 -2.577 1.00 0.00 C ATOM 174 C THR A 15 -13.015 2.845 -2.722 1.00 0.00 C ATOM 175 O THR A 15 -12.922 1.637 -2.942 1.00 0.00 O ATOM 176 CB THR A 15 -14.643 4.388 -3.815 1.00 0.00 C ATOM 177 OG1 THR A 15 -15.939 4.989 -3.722 1.00 0.00 O ATOM 178 CG2 THR A 15 -14.549 3.566 -5.092 1.00 0.00 C ATOM 0 H THR A 15 -14.587 5.289 -1.489 1.00 0.00 H new ATOM 0 HA THR A 15 -15.150 2.742 -2.514 1.00 0.00 H new ATOM 0 HB THR A 15 -13.883 5.169 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.922 5.700 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.739 4.208 -5.952 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.551 3.135 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 15 -15.289 2.766 -5.065 1.00 0.00 H new ATOM 186 N PHE A 16 -11.958 3.640 -2.596 1.00 0.00 N ATOM 187 CA PHE A 16 -10.597 3.128 -2.712 1.00 0.00 C ATOM 188 C PHE A 16 -10.277 2.171 -1.568 1.00 0.00 C ATOM 189 O PHE A 16 -9.556 1.191 -1.749 1.00 0.00 O ATOM 190 CB PHE A 16 -9.594 4.284 -2.722 1.00 0.00 C ATOM 191 CG PHE A 16 -8.164 3.836 -2.625 1.00 0.00 C ATOM 192 CD1 PHE A 16 -7.618 3.477 -1.403 1.00 0.00 C ATOM 193 CD2 PHE A 16 -7.365 3.775 -3.755 1.00 0.00 C ATOM 194 CE1 PHE A 16 -6.302 3.064 -1.310 1.00 0.00 C ATOM 195 CE2 PHE A 16 -6.048 3.363 -3.669 1.00 0.00 C ATOM 196 CZ PHE A 16 -5.516 3.008 -2.444 1.00 0.00 C ATOM 0 H PHE A 16 -12.017 4.642 -2.413 1.00 0.00 H new ATOM 0 HA PHE A 16 -10.519 2.581 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.725 4.860 -3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.814 4.953 -1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.228 3.520 -0.513 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.776 4.053 -4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.889 2.786 -0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.436 3.319 -4.558 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.487 2.687 -2.374 1.00 0.00 H new ATOM 206 N ASN A 17 -10.817 2.465 -0.390 1.00 0.00 N ATOM 207 CA ASN A 17 -10.588 1.632 0.785 1.00 0.00 C ATOM 208 C ASN A 17 -10.983 0.184 0.511 1.00 0.00 C ATOM 209 O ASN A 17 -10.503 -0.737 1.172 1.00 0.00 O ATOM 210 CB ASN A 17 -11.377 2.171 1.980 1.00 0.00 C ATOM 211 CG ASN A 17 -10.574 3.157 2.807 1.00 0.00 C ATOM 212 OD1 ASN A 17 -10.015 4.164 2.147 1.00 0.00 O flip ATOM 213 ND2 ASN A 17 -10.458 3.013 4.024 1.00 0.00 N flip ATOM 0 H ASN A 17 -11.416 3.274 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.524 1.661 1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.286 2.656 1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.687 1.339 2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.906 2.223 4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.914 3.683 4.567 1.00 0.00 H new ATOM 220 N SER A 18 -11.861 -0.008 -0.468 1.00 0.00 N ATOM 221 CA SER A 18 -12.324 -1.343 -0.828 1.00 0.00 C ATOM 222 C SER A 18 -11.419 -1.965 -1.886 1.00 0.00 C ATOM 223 O SER A 18 -11.032 -3.128 -1.781 1.00 0.00 O ATOM 224 CB SER A 18 -13.764 -1.285 -1.342 1.00 0.00 C ATOM 225 OG SER A 18 -14.628 -0.712 -0.376 1.00 0.00 O ATOM 0 H SER A 18 -12.266 0.744 -1.026 1.00 0.00 H new ATOM 0 HA SER A 18 -12.290 -1.966 0.066 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.802 -0.700 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.106 -2.290 -1.590 1.00 0.00 H new ATOM 0 HG SER A 18 -14.441 0.247 -0.298 1.00 0.00 H new ATOM 231 N GLU A 19 -11.085 -1.180 -2.906 1.00 0.00 N ATOM 232 CA GLU A 19 -10.226 -1.654 -3.985 1.00 0.00 C ATOM 233 C GLU A 19 -8.822 -1.957 -3.469 1.00 0.00 C ATOM 234 O GLU A 19 -8.154 -2.871 -3.953 1.00 0.00 O ATOM 235 CB GLU A 19 -10.157 -0.614 -5.105 1.00 0.00 C ATOM 236 CG GLU A 19 -11.514 -0.069 -5.515 1.00 0.00 C ATOM 237 CD GLU A 19 -12.397 -1.123 -6.155 1.00 0.00 C ATOM 238 OE1 GLU A 19 -11.968 -1.724 -7.163 1.00 0.00 O ATOM 239 OE2 GLU A 19 -13.516 -1.348 -5.649 1.00 0.00 O ATOM 0 H GLU A 19 -11.396 -0.214 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.655 -2.575 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.525 0.213 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.677 -1.061 -5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.018 0.338 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.374 0.756 -6.214 1.00 0.00 H new ATOM 246 N LEU A 20 -8.381 -1.182 -2.484 1.00 0.00 N ATOM 247 CA LEU A 20 -7.056 -1.366 -1.902 1.00 0.00 C ATOM 248 C LEU A 20 -6.912 -2.762 -1.305 1.00 0.00 C ATOM 249 O LEU A 20 -6.055 -3.542 -1.722 1.00 0.00 O ATOM 250 CB LEU A 20 -6.799 -0.310 -0.825 1.00 0.00 C ATOM 251 CG LEU A 20 -5.355 -0.184 -0.339 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.054 -1.238 0.715 1.00 0.00 C ATOM 253 CD2 LEU A 20 -4.386 -0.303 -1.506 1.00 0.00 C ATOM 0 H LEU A 20 -8.921 -0.421 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.319 -1.253 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.117 0.658 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.432 -0.534 0.034 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.229 0.800 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.022 -1.134 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.726 -1.106 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.198 -2.231 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.363 -0.211 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.513 -1.273 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.586 0.489 -2.227 1.00 0.00 H new ATOM 265 N TYR A 21 -7.758 -3.072 -0.329 1.00 0.00 N ATOM 266 CA TYR A 21 -7.725 -4.375 0.326 1.00 0.00 C ATOM 267 C TYR A 21 -8.277 -5.460 -0.593 1.00 0.00 C ATOM 268 O TYR A 21 -7.831 -6.607 -0.556 1.00 0.00 O ATOM 269 CB TYR A 21 -8.529 -4.335 1.627 1.00 0.00 C ATOM 270 CG TYR A 21 -7.857 -3.550 2.730 1.00 0.00 C ATOM 271 CD1 TYR A 21 -7.835 -2.161 2.706 1.00 0.00 C ATOM 272 CD2 TYR A 21 -7.242 -4.197 3.795 1.00 0.00 C ATOM 273 CE1 TYR A 21 -7.221 -1.439 3.712 1.00 0.00 C ATOM 274 CE2 TYR A 21 -6.628 -3.483 4.806 1.00 0.00 C ATOM 275 CZ TYR A 21 -6.620 -2.104 4.759 1.00 0.00 C ATOM 276 OH TYR A 21 -6.007 -1.390 5.763 1.00 0.00 O ATOM 0 H TYR A 21 -8.475 -2.439 0.026 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.686 -4.612 0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.508 -3.899 1.426 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.699 -5.355 1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.306 -1.637 1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.244 -5.276 3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.212 -0.360 3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.157 -4.001 5.628 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.634 -2.010 6.424 1.00 0.00 H new ATOM 286 N SER A 22 -9.251 -5.089 -1.419 1.00 0.00 N ATOM 287 CA SER A 22 -9.867 -6.030 -2.346 1.00 0.00 C ATOM 288 C SER A 22 -8.820 -6.959 -2.953 1.00 0.00 C ATOM 289 O SER A 22 -9.118 -8.099 -3.312 1.00 0.00 O ATOM 290 CB SER A 22 -10.603 -5.277 -3.457 1.00 0.00 C ATOM 291 OG SER A 22 -11.955 -5.043 -3.104 1.00 0.00 O ATOM 0 H SER A 22 -9.630 -4.143 -1.465 1.00 0.00 H new ATOM 0 HA SER A 22 -10.584 -6.633 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.104 -4.327 -3.649 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.559 -5.853 -4.382 1.00 0.00 H new ATOM 0 HG SER A 22 -11.995 -4.373 -2.390 1.00 0.00 H new ATOM 297 N LEU A 23 -7.593 -6.464 -3.065 1.00 0.00 N ATOM 298 CA LEU A 23 -6.500 -7.248 -3.628 1.00 0.00 C ATOM 299 C LEU A 23 -6.544 -8.687 -3.123 1.00 0.00 C ATOM 300 O LEU A 23 -6.275 -9.626 -3.870 1.00 0.00 O ATOM 301 CB LEU A 23 -5.154 -6.613 -3.274 1.00 0.00 C ATOM 302 CG LEU A 23 -4.705 -5.453 -4.162 1.00 0.00 C ATOM 303 CD1 LEU A 23 -3.431 -4.825 -3.618 1.00 0.00 C ATOM 304 CD2 LEU A 23 -4.498 -5.926 -5.594 1.00 0.00 C ATOM 0 H LEU A 23 -7.330 -5.523 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.616 -7.259 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.202 -6.259 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.389 -7.388 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.489 -4.696 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.127 -4.001 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.612 -4.449 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.640 -5.574 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.179 -5.087 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.734 -6.703 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.434 -6.328 -5.983 1.00 0.00 H new ATOM 316 N ASN A 24 -6.889 -8.851 -1.850 1.00 0.00 N ATOM 317 CA ASN A 24 -6.971 -10.175 -1.245 1.00 0.00 C ATOM 318 C ASN A 24 -7.647 -11.164 -2.190 1.00 0.00 C ATOM 319 O ASN A 24 -7.143 -12.264 -2.417 1.00 0.00 O ATOM 320 CB ASN A 24 -7.740 -10.108 0.076 1.00 0.00 C ATOM 321 CG ASN A 24 -6.855 -9.710 1.241 1.00 0.00 C ATOM 322 OD1 ASN A 24 -6.395 -10.559 2.005 1.00 0.00 O ATOM 323 ND2 ASN A 24 -6.612 -8.412 1.382 1.00 0.00 N ATOM 0 H ASN A 24 -7.116 -8.084 -1.218 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.956 -10.522 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.556 -9.392 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.190 -11.079 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.023 -8.084 2.147 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.014 -7.744 0.725 1.00 0.00 H new ATOM 330 N ASP A 25 -8.789 -10.764 -2.738 1.00 0.00 N ATOM 331 CA ASP A 25 -9.533 -11.614 -3.660 1.00 0.00 C ATOM 332 C ASP A 25 -8.601 -12.248 -4.687 1.00 0.00 C ATOM 333 O ASP A 25 -8.747 -13.422 -5.032 1.00 0.00 O ATOM 334 CB ASP A 25 -10.619 -10.804 -4.370 1.00 0.00 C ATOM 335 CG ASP A 25 -11.908 -10.742 -3.575 1.00 0.00 C ATOM 336 OD1 ASP A 25 -12.164 -11.677 -2.787 1.00 0.00 O ATOM 337 OD2 ASP A 25 -12.662 -9.760 -3.742 1.00 0.00 O ATOM 0 H ASP A 25 -9.220 -9.857 -2.560 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.003 -12.410 -3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.256 -9.792 -4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.818 -11.246 -5.346 1.00 0.00 H new ATOM 342 N TYR A 26 -7.644 -11.465 -5.173 1.00 0.00 N ATOM 343 CA TYR A 26 -6.690 -11.949 -6.164 1.00 0.00 C ATOM 344 C TYR A 26 -5.347 -12.270 -5.515 1.00 0.00 C ATOM 345 O TYR A 26 -4.895 -11.565 -4.613 1.00 0.00 O ATOM 346 CB TYR A 26 -6.500 -10.910 -7.270 1.00 0.00 C ATOM 347 CG TYR A 26 -7.762 -10.151 -7.611 1.00 0.00 C ATOM 348 CD1 TYR A 26 -8.230 -9.135 -6.786 1.00 0.00 C ATOM 349 CD2 TYR A 26 -8.486 -10.448 -8.759 1.00 0.00 C ATOM 350 CE1 TYR A 26 -9.383 -8.440 -7.094 1.00 0.00 C ATOM 351 CE2 TYR A 26 -9.640 -9.757 -9.075 1.00 0.00 C ATOM 352 CZ TYR A 26 -10.084 -8.754 -8.239 1.00 0.00 C ATOM 353 OH TYR A 26 -11.233 -8.062 -8.549 1.00 0.00 O ATOM 0 H TYR A 26 -7.508 -10.493 -4.897 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.090 -12.864 -6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.731 -10.201 -6.963 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.133 -11.409 -8.167 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.683 -8.885 -5.889 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.141 -11.233 -9.416 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.734 -7.654 -6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.191 -10.001 -9.971 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.605 -8.405 -9.388 1.00 0.00 H new ATOM 363 N LYS A 27 -4.712 -13.340 -5.983 1.00 0.00 N ATOM 364 CA LYS A 27 -3.419 -13.755 -5.452 1.00 0.00 C ATOM 365 C LYS A 27 -2.289 -13.348 -6.392 1.00 0.00 C ATOM 366 O LYS A 27 -2.382 -13.489 -7.612 1.00 0.00 O ATOM 367 CB LYS A 27 -3.397 -15.270 -5.237 1.00 0.00 C ATOM 368 CG LYS A 27 -4.568 -15.786 -4.419 1.00 0.00 C ATOM 369 CD LYS A 27 -4.384 -17.245 -4.039 1.00 0.00 C ATOM 370 CE LYS A 27 -5.210 -17.611 -2.816 1.00 0.00 C ATOM 371 NZ LYS A 27 -5.245 -19.083 -2.590 1.00 0.00 N ATOM 0 H LYS A 27 -5.072 -13.935 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.269 -13.255 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.396 -15.766 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.467 -15.544 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.675 -15.185 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.490 -15.671 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.672 -17.879 -4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.330 -17.440 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.795 -17.118 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.227 -17.238 -2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.818 -19.291 -1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.665 -19.552 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.277 -19.435 -2.446 1.00 0.00 H new ATOM 385 N PRO A 28 -1.194 -12.832 -5.814 1.00 0.00 N ATOM 386 CA PRO A 28 -0.024 -12.396 -6.581 1.00 0.00 C ATOM 387 C PRO A 28 0.418 -13.435 -7.606 1.00 0.00 C ATOM 388 O PRO A 28 0.504 -14.629 -7.317 1.00 0.00 O ATOM 389 CB PRO A 28 1.053 -12.209 -5.510 1.00 0.00 C ATOM 390 CG PRO A 28 0.298 -11.920 -4.259 1.00 0.00 C ATOM 391 CD PRO A 28 -1.015 -12.634 -4.366 1.00 0.00 C ATOM 0 HA PRO A 28 -0.229 -11.496 -7.160 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.666 -13.104 -5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.726 -11.390 -5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.853 -12.262 -3.386 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.145 -10.847 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.998 -13.584 -3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.826 -12.044 -3.940 1.00 0.00 H new ATOM 399 N PRO A 29 0.705 -12.974 -8.832 1.00 0.00 N ATOM 400 CA PRO A 29 0.605 -11.556 -9.188 1.00 0.00 C ATOM 401 C PRO A 29 -0.840 -11.071 -9.237 1.00 0.00 C ATOM 402 O PRO A 29 -1.773 -11.874 -9.273 1.00 0.00 O ATOM 403 CB PRO A 29 1.237 -11.494 -10.581 1.00 0.00 C ATOM 404 CG PRO A 29 1.060 -12.864 -11.138 1.00 0.00 C ATOM 405 CD PRO A 29 1.148 -13.802 -9.966 1.00 0.00 C ATOM 0 HA PRO A 29 1.095 -10.916 -8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.747 -10.747 -11.205 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.291 -11.222 -10.526 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.098 -12.959 -11.642 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.831 -13.088 -11.876 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.508 -14.674 -10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.164 -14.171 -9.822 1.00 0.00 H new ATOM 413 N ILE A 30 -1.018 -9.754 -9.238 1.00 0.00 N ATOM 414 CA ILE A 30 -2.350 -9.163 -9.285 1.00 0.00 C ATOM 415 C ILE A 30 -2.716 -8.745 -10.705 1.00 0.00 C ATOM 416 O ILE A 30 -1.946 -8.063 -11.380 1.00 0.00 O ATOM 417 CB ILE A 30 -2.455 -7.938 -8.357 1.00 0.00 C ATOM 418 CG1 ILE A 30 -2.161 -8.340 -6.910 1.00 0.00 C ATOM 419 CG2 ILE A 30 -3.834 -7.307 -8.468 1.00 0.00 C ATOM 420 CD1 ILE A 30 -3.125 -9.370 -6.362 1.00 0.00 C ATOM 0 H ILE A 30 -0.257 -9.076 -9.207 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.047 -9.928 -8.943 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.714 -7.201 -8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.147 -8.735 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.195 -7.451 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.893 -6.443 -7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.007 -6.989 -9.496 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.592 -8.036 -8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.857 -9.608 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.139 -8.971 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.075 -10.274 -6.968 1.00 0.00 H new ATOM 432 N SER A 31 -3.898 -9.158 -11.151 1.00 0.00 N ATOM 433 CA SER A 31 -4.367 -8.828 -12.491 1.00 0.00 C ATOM 434 C SER A 31 -4.059 -7.373 -12.832 1.00 0.00 C ATOM 435 O SER A 31 -4.472 -6.456 -12.122 1.00 0.00 O ATOM 436 CB SER A 31 -5.872 -9.082 -12.605 1.00 0.00 C ATOM 437 OG SER A 31 -6.139 -10.449 -12.867 1.00 0.00 O ATOM 0 H SER A 31 -4.548 -9.722 -10.604 1.00 0.00 H new ATOM 0 HA SER A 31 -3.842 -9.468 -13.200 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.366 -8.782 -11.681 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.289 -8.467 -13.403 1.00 0.00 H new ATOM 0 HG SER A 31 -7.107 -10.586 -12.934 1.00 0.00 H new ATOM 443 N LYS A 32 -3.330 -7.169 -13.924 1.00 0.00 N ATOM 444 CA LYS A 32 -2.966 -5.827 -14.362 1.00 0.00 C ATOM 445 C LYS A 32 -4.165 -4.887 -14.291 1.00 0.00 C ATOM 446 O LYS A 32 -4.055 -3.760 -13.810 1.00 0.00 O ATOM 447 CB LYS A 32 -2.417 -5.866 -15.790 1.00 0.00 C ATOM 448 CG LYS A 32 -1.631 -4.624 -16.173 1.00 0.00 C ATOM 449 CD LYS A 32 -0.212 -4.674 -15.631 1.00 0.00 C ATOM 450 CE LYS A 32 0.727 -5.389 -16.591 1.00 0.00 C ATOM 451 NZ LYS A 32 2.023 -5.735 -15.945 1.00 0.00 N ATOM 0 H LYS A 32 -2.979 -7.917 -14.522 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.193 -5.450 -13.693 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.775 -6.740 -15.900 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.247 -5.990 -16.486 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.604 -4.530 -17.259 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.137 -3.739 -15.789 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.148 -3.660 -15.456 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.207 -5.184 -14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.249 -6.298 -16.956 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.911 -4.755 -17.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.635 -6.221 -16.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.491 -4.866 -15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.850 -6.361 -15.133 1.00 0.00 H new ATOM 465 N ALA A 33 -5.310 -5.360 -14.774 1.00 0.00 N ATOM 466 CA ALA A 33 -6.530 -4.563 -14.762 1.00 0.00 C ATOM 467 C ALA A 33 -6.858 -4.081 -13.353 1.00 0.00 C ATOM 468 O ALA A 33 -7.421 -3.002 -13.169 1.00 0.00 O ATOM 469 CB ALA A 33 -7.691 -5.366 -15.331 1.00 0.00 C ATOM 0 H ALA A 33 -5.417 -6.290 -15.178 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.367 -3.686 -15.389 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.596 -4.758 -15.316 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.465 -5.655 -16.357 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.845 -6.261 -14.728 1.00 0.00 H new ATOM 475 N LYS A 34 -6.503 -4.889 -12.359 1.00 0.00 N ATOM 476 CA LYS A 34 -6.759 -4.546 -10.965 1.00 0.00 C ATOM 477 C LYS A 34 -6.055 -3.247 -10.587 1.00 0.00 C ATOM 478 O LYS A 34 -6.702 -2.237 -10.311 1.00 0.00 O ATOM 479 CB LYS A 34 -6.293 -5.678 -10.047 1.00 0.00 C ATOM 480 CG LYS A 34 -6.599 -5.435 -8.579 1.00 0.00 C ATOM 481 CD LYS A 34 -8.089 -5.538 -8.295 1.00 0.00 C ATOM 482 CE LYS A 34 -8.507 -4.607 -7.168 1.00 0.00 C ATOM 483 NZ LYS A 34 -8.968 -3.287 -7.680 1.00 0.00 N ATOM 0 H LYS A 34 -6.037 -5.786 -12.493 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.833 -4.405 -10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.769 -6.607 -10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.218 -5.814 -10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.061 -6.161 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.240 -4.447 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.650 -5.294 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.340 -6.565 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.306 -5.072 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.667 -4.460 -6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.179 -2.659 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.221 -2.862 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.826 -3.417 -8.253 1.00 0.00 H new ATOM 497 N MET A 35 -4.726 -3.281 -10.577 1.00 0.00 N ATOM 498 CA MET A 35 -3.935 -2.104 -10.235 1.00 0.00 C ATOM 499 C MET A 35 -4.575 -0.837 -10.793 1.00 0.00 C ATOM 500 O MET A 35 -4.427 0.247 -10.228 1.00 0.00 O ATOM 501 CB MET A 35 -2.509 -2.249 -10.770 1.00 0.00 C ATOM 502 CG MET A 35 -1.601 -3.069 -9.869 1.00 0.00 C ATOM 503 SD MET A 35 -1.367 -2.315 -8.248 1.00 0.00 S ATOM 504 CE MET A 35 -1.016 -3.760 -7.250 1.00 0.00 C ATOM 0 H MET A 35 -4.175 -4.109 -10.801 1.00 0.00 H new ATOM 0 HA MET A 35 -3.901 -2.023 -9.149 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.545 -2.714 -11.755 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.077 -1.257 -10.901 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.024 -4.066 -9.744 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.631 -3.192 -10.352 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.658 -3.447 -6.269 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.924 -4.351 -7.133 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.251 -4.363 -7.739 1.00 0.00 H new ATOM 514 N THR A 36 -5.286 -0.981 -11.907 1.00 0.00 N ATOM 515 CA THR A 36 -5.947 0.152 -12.543 1.00 0.00 C ATOM 516 C THR A 36 -7.224 0.531 -11.802 1.00 0.00 C ATOM 517 O THR A 36 -7.505 1.711 -11.595 1.00 0.00 O ATOM 518 CB THR A 36 -6.291 -0.151 -14.014 1.00 0.00 C ATOM 519 OG1 THR A 36 -5.089 -0.291 -14.779 1.00 0.00 O ATOM 520 CG2 THR A 36 -7.151 0.955 -14.607 1.00 0.00 C ATOM 0 H THR A 36 -5.419 -1.871 -12.387 1.00 0.00 H new ATOM 0 HA THR A 36 -5.247 0.987 -12.506 1.00 0.00 H new ATOM 0 HB THR A 36 -6.853 -1.084 -14.049 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.316 -0.485 -15.712 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.381 0.719 -15.646 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.078 1.039 -14.040 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.611 1.901 -14.561 1.00 0.00 H new ATOM 528 N GLN A 37 -7.992 -0.478 -11.404 1.00 0.00 N ATOM 529 CA GLN A 37 -9.240 -0.249 -10.685 1.00 0.00 C ATOM 530 C GLN A 37 -8.995 0.548 -9.408 1.00 0.00 C ATOM 531 O GLN A 37 -9.708 1.509 -9.118 1.00 0.00 O ATOM 532 CB GLN A 37 -9.910 -1.582 -10.347 1.00 0.00 C ATOM 533 CG GLN A 37 -10.401 -2.343 -11.568 1.00 0.00 C ATOM 534 CD GLN A 37 -11.719 -1.812 -12.096 1.00 0.00 C ATOM 535 OE1 GLN A 37 -11.664 -0.694 -12.810 1.00 0.00 O flip ATOM 536 NE2 GLN A 37 -12.776 -2.400 -11.864 1.00 0.00 N flip ATOM 0 H GLN A 37 -7.773 -1.461 -11.567 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.901 0.329 -11.331 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.203 -2.206 -9.800 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.753 -1.397 -9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.649 -2.284 -12.355 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.514 -3.397 -11.313 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.772 -3.257 -11.310 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.655 -2.030 -12.225 1.00 0.00 H new ATOM 545 N ILE A 38 -7.982 0.143 -8.649 1.00 0.00 N ATOM 546 CA ILE A 38 -7.643 0.820 -7.404 1.00 0.00 C ATOM 547 C ILE A 38 -7.203 2.258 -7.662 1.00 0.00 C ATOM 548 O ILE A 38 -7.785 3.203 -7.127 1.00 0.00 O ATOM 549 CB ILE A 38 -6.523 0.081 -6.648 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.814 -1.420 -6.601 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.375 0.641 -5.241 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.817 -2.204 -5.778 1.00 0.00 C ATOM 0 H ILE A 38 -7.382 -0.650 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.544 0.822 -6.791 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.584 0.234 -7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.812 -1.575 -6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.821 -1.812 -7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.580 0.109 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.127 1.701 -5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.312 0.515 -4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.086 -3.260 -5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.819 -2.079 -6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.826 -1.839 -4.751 1.00 0.00 H new ATOM 564 N THR A 39 -6.173 2.417 -8.487 1.00 0.00 N ATOM 565 CA THR A 39 -5.656 3.738 -8.818 1.00 0.00 C ATOM 566 C THR A 39 -6.787 4.705 -9.149 1.00 0.00 C ATOM 567 O THR A 39 -6.831 5.824 -8.638 1.00 0.00 O ATOM 568 CB THR A 39 -4.682 3.678 -10.009 1.00 0.00 C ATOM 569 OG1 THR A 39 -3.610 2.774 -9.721 1.00 0.00 O ATOM 570 CG2 THR A 39 -4.119 5.057 -10.318 1.00 0.00 C ATOM 0 H THR A 39 -5.680 1.646 -8.938 1.00 0.00 H new ATOM 0 HA THR A 39 -5.121 4.097 -7.939 1.00 0.00 H new ATOM 0 HB THR A 39 -5.232 3.323 -10.881 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.936 1.852 -9.777 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.434 4.989 -11.163 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.935 5.736 -10.566 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.584 5.435 -9.447 1.00 0.00 H new ATOM 578 N LYS A 40 -7.702 4.266 -10.007 1.00 0.00 N ATOM 579 CA LYS A 40 -8.836 5.091 -10.406 1.00 0.00 C ATOM 580 C LYS A 40 -9.579 5.622 -9.184 1.00 0.00 C ATOM 581 O LYS A 40 -10.006 6.776 -9.159 1.00 0.00 O ATOM 582 CB LYS A 40 -9.793 4.287 -11.288 1.00 0.00 C ATOM 583 CG LYS A 40 -9.255 4.018 -12.683 1.00 0.00 C ATOM 584 CD LYS A 40 -9.797 2.717 -13.249 1.00 0.00 C ATOM 585 CE LYS A 40 -11.232 2.872 -13.728 1.00 0.00 C ATOM 586 NZ LYS A 40 -12.207 2.743 -12.609 1.00 0.00 N ATOM 0 H LYS A 40 -7.680 3.343 -10.440 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.454 5.939 -10.974 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.009 3.336 -10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.737 4.825 -11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.524 4.843 -13.343 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.166 3.977 -12.652 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.169 2.390 -14.078 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.749 1.939 -12.487 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.353 3.845 -14.205 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.446 2.117 -14.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.106 2.368 -12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.827 2.094 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.369 3.677 -12.181 1.00 0.00 H new ATOM 600 N ALA A 41 -9.728 4.773 -8.173 1.00 0.00 N ATOM 601 CA ALA A 41 -10.416 5.158 -6.947 1.00 0.00 C ATOM 602 C ALA A 41 -9.580 6.141 -6.134 1.00 0.00 C ATOM 603 O ALA A 41 -10.089 7.151 -5.649 1.00 0.00 O ATOM 604 CB ALA A 41 -10.743 3.927 -6.115 1.00 0.00 C ATOM 0 H ALA A 41 -9.381 3.814 -8.179 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.347 5.654 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.257 4.230 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.386 3.260 -6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.821 3.407 -5.856 1.00 0.00 H new ATOM 610 N ALA A 42 -8.294 5.838 -5.988 1.00 0.00 N ATOM 611 CA ALA A 42 -7.387 6.695 -5.235 1.00 0.00 C ATOM 612 C ALA A 42 -7.365 8.108 -5.808 1.00 0.00 C ATOM 613 O ALA A 42 -7.783 9.061 -5.150 1.00 0.00 O ATOM 614 CB ALA A 42 -5.985 6.104 -5.228 1.00 0.00 C ATOM 0 H ALA A 42 -7.857 5.005 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.749 6.753 -4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.319 6.755 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.008 5.118 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.622 6.016 -6.252 1.00 0.00 H new ATOM 620 N ILE A 43 -6.874 8.236 -7.036 1.00 0.00 N ATOM 621 CA ILE A 43 -6.798 9.533 -7.697 1.00 0.00 C ATOM 622 C ILE A 43 -8.107 10.301 -7.552 1.00 0.00 C ATOM 623 O ILE A 43 -8.112 11.527 -7.438 1.00 0.00 O ATOM 624 CB ILE A 43 -6.466 9.384 -9.193 1.00 0.00 C ATOM 625 CG1 ILE A 43 -5.100 8.717 -9.371 1.00 0.00 C ATOM 626 CG2 ILE A 43 -6.491 10.741 -9.879 1.00 0.00 C ATOM 627 CD1 ILE A 43 -3.942 9.582 -8.924 1.00 0.00 C ATOM 0 H ILE A 43 -6.523 7.457 -7.593 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.997 10.089 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.222 8.750 -9.656 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.084 7.784 -8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.965 8.458 -10.421 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.254 10.619 -10.936 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.483 11.182 -9.778 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.754 11.397 -9.416 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.006 9.045 -9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.932 10.505 -9.504 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.053 9.820 -7.866 1.00 0.00 H new ATOM 639 N LYS A 44 -9.218 9.572 -7.556 1.00 0.00 N ATOM 640 CA LYS A 44 -10.535 10.183 -7.423 1.00 0.00 C ATOM 641 C LYS A 44 -10.731 10.752 -6.022 1.00 0.00 C ATOM 642 O LYS A 44 -11.417 11.758 -5.841 1.00 0.00 O ATOM 643 CB LYS A 44 -11.629 9.156 -7.725 1.00 0.00 C ATOM 644 CG LYS A 44 -11.991 9.068 -9.198 1.00 0.00 C ATOM 645 CD LYS A 44 -13.062 10.080 -9.570 1.00 0.00 C ATOM 646 CE LYS A 44 -14.448 9.595 -9.175 1.00 0.00 C ATOM 647 NZ LYS A 44 -14.933 8.511 -10.074 1.00 0.00 N ATOM 0 H LYS A 44 -9.232 8.556 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.603 11.000 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.300 8.175 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.522 9.411 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.101 9.240 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.344 8.063 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.854 11.030 -9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.032 10.265 -10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.427 9.232 -8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.147 10.431 -9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.953 8.371 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.756 8.776 -11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.429 7.628 -9.856 1.00 0.00 H new ATOM 661 N ALA A 45 -10.124 10.103 -5.034 1.00 0.00 N ATOM 662 CA ALA A 45 -10.229 10.548 -3.649 1.00 0.00 C ATOM 663 C ALA A 45 -9.066 11.460 -3.276 1.00 0.00 C ATOM 664 O ALA A 45 -8.744 11.621 -2.098 1.00 0.00 O ATOM 665 CB ALA A 45 -10.284 9.350 -2.713 1.00 0.00 C ATOM 0 H ALA A 45 -9.554 9.267 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.152 11.119 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.362 9.697 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.152 8.737 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.377 8.756 -2.828 1.00 0.00 H new ATOM 671 N ILE A 46 -8.439 12.055 -4.285 1.00 0.00 N ATOM 672 CA ILE A 46 -7.312 12.952 -4.062 1.00 0.00 C ATOM 673 C ILE A 46 -7.651 14.013 -3.020 1.00 0.00 C ATOM 674 O ILE A 46 -6.841 14.322 -2.146 1.00 0.00 O ATOM 675 CB ILE A 46 -6.879 13.649 -5.365 1.00 0.00 C ATOM 676 CG1 ILE A 46 -5.419 14.096 -5.270 1.00 0.00 C ATOM 677 CG2 ILE A 46 -7.785 14.836 -5.657 1.00 0.00 C ATOM 678 CD1 ILE A 46 -4.701 14.104 -6.602 1.00 0.00 C ATOM 0 H ILE A 46 -8.693 11.932 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.489 12.338 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.968 12.938 -6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.381 15.097 -4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.889 13.435 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.466 15.318 -6.581 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.813 14.491 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.725 15.550 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.671 14.431 -6.458 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.707 13.099 -7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.207 14.787 -7.284 1.00 0.00 H new ATOM 690 N LYS A 47 -8.855 14.566 -3.118 1.00 0.00 N ATOM 691 CA LYS A 47 -9.305 15.591 -2.183 1.00 0.00 C ATOM 692 C LYS A 47 -9.120 15.130 -0.741 1.00 0.00 C ATOM 693 O LYS A 47 -8.757 15.919 0.131 1.00 0.00 O ATOM 694 CB LYS A 47 -10.775 15.931 -2.437 1.00 0.00 C ATOM 695 CG LYS A 47 -11.673 14.711 -2.541 1.00 0.00 C ATOM 696 CD LYS A 47 -12.856 14.966 -3.459 1.00 0.00 C ATOM 697 CE LYS A 47 -13.749 13.740 -3.572 1.00 0.00 C ATOM 698 NZ LYS A 47 -14.761 13.888 -4.655 1.00 0.00 N ATOM 0 H LYS A 47 -9.537 14.322 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.700 16.484 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.136 16.569 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.852 16.508 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.097 13.865 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.033 14.438 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.437 15.807 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.496 15.247 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.135 12.860 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.256 13.571 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.350 13.032 -4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.363 14.712 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.278 14.023 -5.566 1.00 0.00 H new ATOM 712 N PHE A 48 -9.371 13.848 -0.498 1.00 0.00 N ATOM 713 CA PHE A 48 -9.232 13.282 0.839 1.00 0.00 C ATOM 714 C PHE A 48 -8.117 12.241 0.876 1.00 0.00 C ATOM 715 O PHE A 48 -8.022 11.450 1.815 1.00 0.00 O ATOM 716 CB PHE A 48 -10.551 12.650 1.289 1.00 0.00 C ATOM 717 CG PHE A 48 -11.765 13.381 0.793 1.00 0.00 C ATOM 718 CD1 PHE A 48 -11.829 14.764 0.849 1.00 0.00 C ATOM 719 CD2 PHE A 48 -12.844 12.685 0.270 1.00 0.00 C ATOM 720 CE1 PHE A 48 -12.946 15.439 0.394 1.00 0.00 C ATOM 721 CE2 PHE A 48 -13.963 13.355 -0.187 1.00 0.00 C ATOM 722 CZ PHE A 48 -14.014 14.733 -0.126 1.00 0.00 C ATOM 0 H PHE A 48 -9.672 13.181 -1.209 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.973 14.090 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.589 11.619 0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.576 12.617 2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.996 15.321 1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.810 11.607 0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.984 16.517 0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -14.797 12.801 -0.592 1.00 0.00 H new ATOM 0 HZ PHE A 48 -14.887 15.258 -0.484 1.00 0.00 H new ATOM 732 N TYR A 49 -7.276 12.247 -0.153 1.00 0.00 N ATOM 733 CA TYR A 49 -6.170 11.302 -0.241 1.00 0.00 C ATOM 734 C TYR A 49 -5.565 11.041 1.135 1.00 0.00 C ATOM 735 O TYR A 49 -5.130 9.928 1.435 1.00 0.00 O ATOM 736 CB TYR A 49 -5.094 11.831 -1.191 1.00 0.00 C ATOM 737 CG TYR A 49 -4.039 12.669 -0.504 1.00 0.00 C ATOM 738 CD1 TYR A 49 -4.342 13.929 -0.004 1.00 0.00 C ATOM 739 CD2 TYR A 49 -2.739 12.200 -0.356 1.00 0.00 C ATOM 740 CE1 TYR A 49 -3.381 14.699 0.623 1.00 0.00 C ATOM 741 CE2 TYR A 49 -1.773 12.962 0.272 1.00 0.00 C ATOM 742 CZ TYR A 49 -2.098 14.211 0.759 1.00 0.00 C ATOM 743 OH TYR A 49 -1.138 14.973 1.384 1.00 0.00 O ATOM 0 H TYR A 49 -7.340 12.896 -0.937 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.560 10.362 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.611 10.988 -1.685 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.570 12.427 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.346 14.314 -0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.480 11.224 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.633 15.677 1.004 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.768 12.582 0.381 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.332 15.923 1.244 1.00 0.00 H new ATOM 753 N LYS A 50 -5.542 12.074 1.970 1.00 0.00 N ATOM 754 CA LYS A 50 -4.994 11.959 3.316 1.00 0.00 C ATOM 755 C LYS A 50 -5.281 10.582 3.905 1.00 0.00 C ATOM 756 O LYS A 50 -4.444 10.006 4.600 1.00 0.00 O ATOM 757 CB LYS A 50 -5.579 13.045 4.222 1.00 0.00 C ATOM 758 CG LYS A 50 -5.753 14.386 3.530 1.00 0.00 C ATOM 759 CD LYS A 50 -5.558 15.542 4.497 1.00 0.00 C ATOM 760 CE LYS A 50 -4.096 15.953 4.587 1.00 0.00 C ATOM 761 NZ LYS A 50 -3.759 17.020 3.605 1.00 0.00 N ATOM 0 H LYS A 50 -5.897 13.002 1.738 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.914 12.090 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.546 12.711 4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.929 13.174 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.037 14.470 2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.748 14.443 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.157 16.393 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.918 15.256 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.879 16.306 5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.463 15.084 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.007 17.624 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.431 16.585 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.603 17.597 3.416 1.00 0.00 H new ATOM 775 N HIS A 51 -6.470 10.058 3.621 1.00 0.00 N ATOM 776 CA HIS A 51 -6.866 8.746 4.121 1.00 0.00 C ATOM 777 C HIS A 51 -6.289 7.635 3.249 1.00 0.00 C ATOM 778 O HIS A 51 -5.620 6.728 3.743 1.00 0.00 O ATOM 779 CB HIS A 51 -8.390 8.634 4.168 1.00 0.00 C ATOM 780 CG HIS A 51 -9.000 9.265 5.382 1.00 0.00 C ATOM 781 ND1 HIS A 51 -9.928 8.625 6.176 1.00 0.00 N ATOM 782 CD2 HIS A 51 -8.808 10.484 5.937 1.00 0.00 C ATOM 783 CE1 HIS A 51 -10.282 9.424 7.167 1.00 0.00 C ATOM 784 NE2 HIS A 51 -9.616 10.559 7.045 1.00 0.00 N ATOM 0 H HIS A 51 -7.175 10.522 3.048 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.469 8.634 5.130 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.808 9.102 3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.670 7.581 4.137 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.143 11.255 5.576 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.994 9.190 7.944 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.690 11.360 7.672 1.00 0.00 H new ATOM 792 N VAL A 52 -6.554 7.713 1.948 1.00 0.00 N ATOM 793 CA VAL A 52 -6.061 6.714 1.007 1.00 0.00 C ATOM 794 C VAL A 52 -4.632 6.301 1.342 1.00 0.00 C ATOM 795 O VAL A 52 -4.374 5.150 1.697 1.00 0.00 O ATOM 796 CB VAL A 52 -6.106 7.237 -0.441 1.00 0.00 C ATOM 797 CG1 VAL A 52 -5.431 6.253 -1.385 1.00 0.00 C ATOM 798 CG2 VAL A 52 -7.542 7.499 -0.868 1.00 0.00 C ATOM 0 H VAL A 52 -7.107 8.457 1.522 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.716 5.847 1.093 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.560 8.179 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.472 6.639 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.390 6.120 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.946 5.293 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.555 7.868 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.114 6.573 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.987 8.244 -0.209 1.00 0.00 H new ATOM 808 N VAL A 53 -3.706 7.247 1.229 1.00 0.00 N ATOM 809 CA VAL A 53 -2.302 6.983 1.521 1.00 0.00 C ATOM 810 C VAL A 53 -2.156 6.081 2.742 1.00 0.00 C ATOM 811 O VAL A 53 -1.490 5.047 2.685 1.00 0.00 O ATOM 812 CB VAL A 53 -1.524 8.289 1.766 1.00 0.00 C ATOM 813 CG1 VAL A 53 -0.144 7.991 2.333 1.00 0.00 C ATOM 814 CG2 VAL A 53 -1.418 9.094 0.480 1.00 0.00 C ATOM 0 H VAL A 53 -3.903 8.204 0.937 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.886 6.480 0.648 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.070 8.885 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.391 8.926 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.246 7.458 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.414 7.375 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.865 10.014 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.895 8.507 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.417 9.339 0.121 1.00 0.00 H new ATOM 824 N GLN A 54 -2.783 6.479 3.844 1.00 0.00 N ATOM 825 CA GLN A 54 -2.722 5.706 5.079 1.00 0.00 C ATOM 826 C GLN A 54 -3.148 4.262 4.838 1.00 0.00 C ATOM 827 O GLN A 54 -2.386 3.329 5.092 1.00 0.00 O ATOM 828 CB GLN A 54 -3.613 6.342 6.148 1.00 0.00 C ATOM 829 CG GLN A 54 -3.089 6.161 7.563 1.00 0.00 C ATOM 830 CD GLN A 54 -2.206 7.310 8.010 1.00 0.00 C ATOM 831 OE1 GLN A 54 -2.619 8.470 7.989 1.00 0.00 O ATOM 832 NE2 GLN A 54 -0.983 6.993 8.418 1.00 0.00 N ATOM 0 H GLN A 54 -3.339 7.332 3.907 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.690 5.708 5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.712 7.407 5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.611 5.910 6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.931 6.067 8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.525 5.230 7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.682 6.018 8.419 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.344 7.724 8.731 1.00 0.00 H new ATOM 841 N SER A 55 -4.371 4.085 4.348 1.00 0.00 N ATOM 842 CA SER A 55 -4.900 2.753 4.077 1.00 0.00 C ATOM 843 C SER A 55 -3.906 1.928 3.266 1.00 0.00 C ATOM 844 O SER A 55 -3.742 0.730 3.495 1.00 0.00 O ATOM 845 CB SER A 55 -6.230 2.852 3.328 1.00 0.00 C ATOM 846 OG SER A 55 -7.298 3.124 4.218 1.00 0.00 O ATOM 0 H SER A 55 -5.014 4.847 4.131 1.00 0.00 H new ATOM 0 HA SER A 55 -5.066 2.254 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.170 3.639 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.423 1.919 2.798 1.00 0.00 H new ATOM 0 HG SER A 55 -8.004 3.610 3.743 1.00 0.00 H new ATOM 852 N VAL A 56 -3.244 2.579 2.314 1.00 0.00 N ATOM 853 CA VAL A 56 -2.265 1.908 1.468 1.00 0.00 C ATOM 854 C VAL A 56 -1.084 1.400 2.289 1.00 0.00 C ATOM 855 O VAL A 56 -0.507 0.357 1.985 1.00 0.00 O ATOM 856 CB VAL A 56 -1.742 2.844 0.363 1.00 0.00 C ATOM 857 CG1 VAL A 56 -0.701 2.135 -0.490 1.00 0.00 C ATOM 858 CG2 VAL A 56 -2.892 3.349 -0.495 1.00 0.00 C ATOM 0 H VAL A 56 -3.368 3.571 2.110 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.774 1.062 1.007 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.266 3.703 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.343 2.812 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.136 1.828 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.148 1.256 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.504 4.009 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.399 2.503 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.598 3.897 0.129 1.00 0.00 H new ATOM 868 N GLU A 57 -0.732 2.146 3.331 1.00 0.00 N ATOM 869 CA GLU A 57 0.381 1.771 4.197 1.00 0.00 C ATOM 870 C GLU A 57 -0.035 0.674 5.173 1.00 0.00 C ATOM 871 O GLU A 57 0.724 -0.259 5.436 1.00 0.00 O ATOM 872 CB GLU A 57 0.889 2.991 4.969 1.00 0.00 C ATOM 873 CG GLU A 57 1.435 4.092 4.076 1.00 0.00 C ATOM 874 CD GLU A 57 1.581 5.414 4.805 1.00 0.00 C ATOM 875 OE1 GLU A 57 0.607 6.196 4.815 1.00 0.00 O ATOM 876 OE2 GLU A 57 2.668 5.667 5.364 1.00 0.00 O ATOM 0 H GLU A 57 -1.200 3.012 3.596 1.00 0.00 H new ATOM 0 HA GLU A 57 1.185 1.388 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.075 3.394 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.670 2.674 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.405 3.789 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.772 4.224 3.221 1.00 0.00 H new ATOM 883 N LYS A 58 -1.246 0.793 5.707 1.00 0.00 N ATOM 884 CA LYS A 58 -1.765 -0.187 6.653 1.00 0.00 C ATOM 885 C LYS A 58 -1.962 -1.541 5.980 1.00 0.00 C ATOM 886 O LYS A 58 -1.353 -2.536 6.373 1.00 0.00 O ATOM 887 CB LYS A 58 -3.089 0.298 7.246 1.00 0.00 C ATOM 888 CG LYS A 58 -3.024 1.706 7.811 1.00 0.00 C ATOM 889 CD LYS A 58 -2.106 1.780 9.020 1.00 0.00 C ATOM 890 CE LYS A 58 -1.706 3.215 9.329 1.00 0.00 C ATOM 891 NZ LYS A 58 -1.339 3.391 10.762 1.00 0.00 N ATOM 0 H LYS A 58 -1.887 1.559 5.500 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.036 -0.303 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.858 0.260 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.396 -0.387 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.670 2.392 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.025 2.033 8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.607 1.346 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.212 1.183 8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.863 3.501 8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.530 3.884 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.073 4.382 10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.152 3.143 11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.536 2.772 10.993 1.00 0.00 H new ATOM 905 N PHE A 59 -2.817 -1.572 4.963 1.00 0.00 N ATOM 906 CA PHE A 59 -3.094 -2.805 4.234 1.00 0.00 C ATOM 907 C PHE A 59 -1.813 -3.601 4.005 1.00 0.00 C ATOM 908 O PHE A 59 -1.837 -4.831 3.942 1.00 0.00 O ATOM 909 CB PHE A 59 -3.761 -2.491 2.893 1.00 0.00 C ATOM 910 CG PHE A 59 -3.569 -3.567 1.862 1.00 0.00 C ATOM 911 CD1 PHE A 59 -4.468 -4.617 1.763 1.00 0.00 C ATOM 912 CD2 PHE A 59 -2.491 -3.528 0.993 1.00 0.00 C ATOM 913 CE1 PHE A 59 -4.294 -5.608 0.816 1.00 0.00 C ATOM 914 CE2 PHE A 59 -2.312 -4.516 0.043 1.00 0.00 C ATOM 915 CZ PHE A 59 -3.216 -5.557 -0.046 1.00 0.00 C ATOM 0 H PHE A 59 -3.330 -0.758 4.625 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.773 -3.409 4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.828 -2.339 3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.360 -1.554 2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.314 -4.661 2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.782 -2.716 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.001 -6.422 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.467 -4.474 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.080 -6.330 -0.788 1.00 0.00 H new ATOM 925 N ILE A 60 -0.697 -2.891 3.880 1.00 0.00 N ATOM 926 CA ILE A 60 0.594 -3.531 3.657 1.00 0.00 C ATOM 927 C ILE A 60 1.054 -4.286 4.899 1.00 0.00 C ATOM 928 O ILE A 60 1.594 -5.388 4.802 1.00 0.00 O ATOM 929 CB ILE A 60 1.672 -2.502 3.267 1.00 0.00 C ATOM 930 CG1 ILE A 60 1.444 -2.010 1.836 1.00 0.00 C ATOM 931 CG2 ILE A 60 3.059 -3.110 3.410 1.00 0.00 C ATOM 932 CD1 ILE A 60 2.341 -0.857 1.444 1.00 0.00 C ATOM 0 H ILE A 60 -0.660 -1.873 3.929 1.00 0.00 H new ATOM 0 HA ILE A 60 0.460 -4.235 2.835 1.00 0.00 H new ATOM 0 HB ILE A 60 1.600 -1.648 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.607 -2.838 1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.404 -1.704 1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.811 -2.371 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.217 -3.416 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.144 -3.979 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.125 -0.560 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.162 -0.014 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.384 -1.165 1.520 1.00 0.00 H new ATOM 944 N GLN A 61 0.834 -3.687 6.065 1.00 0.00 N ATOM 945 CA GLN A 61 1.225 -4.305 7.327 1.00 0.00 C ATOM 946 C GLN A 61 0.205 -5.354 7.759 1.00 0.00 C ATOM 947 O GLN A 61 0.480 -6.181 8.628 1.00 0.00 O ATOM 948 CB GLN A 61 1.373 -3.241 8.416 1.00 0.00 C ATOM 949 CG GLN A 61 0.045 -2.722 8.943 1.00 0.00 C ATOM 950 CD GLN A 61 0.174 -2.066 10.304 1.00 0.00 C ATOM 951 OE1 GLN A 61 0.223 -0.841 10.413 1.00 0.00 O ATOM 952 NE2 GLN A 61 0.229 -2.881 11.351 1.00 0.00 N ATOM 0 H GLN A 61 0.387 -2.775 6.162 1.00 0.00 H new ATOM 0 HA GLN A 61 2.185 -4.799 7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.945 -3.658 9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.949 -2.405 8.020 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.367 -2.003 8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.664 -3.548 9.007 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.185 -3.891 11.214 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.315 -2.497 12.292 1.00 0.00 H new ATOM 961 N LYS A 62 -0.973 -5.313 7.146 1.00 0.00 N ATOM 962 CA LYS A 62 -2.035 -6.260 7.466 1.00 0.00 C ATOM 963 C LYS A 62 -2.030 -7.433 6.491 1.00 0.00 C ATOM 964 O LYS A 62 -2.352 -8.562 6.863 1.00 0.00 O ATOM 965 CB LYS A 62 -3.396 -5.561 7.433 1.00 0.00 C ATOM 966 CG LYS A 62 -3.415 -4.230 8.164 1.00 0.00 C ATOM 967 CD LYS A 62 -3.432 -4.421 9.671 1.00 0.00 C ATOM 968 CE LYS A 62 -4.853 -4.539 10.202 1.00 0.00 C ATOM 969 NZ LYS A 62 -4.916 -4.314 11.673 1.00 0.00 N ATOM 0 H LYS A 62 -1.217 -4.634 6.425 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.855 -6.644 8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.687 -5.400 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.144 -6.219 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.540 -3.646 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.292 -3.659 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.869 -5.318 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.932 -3.580 10.151 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.491 -3.814 9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.247 -5.528 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.901 -4.403 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.327 -5.021 12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.564 -3.361 11.894 1.00 0.00 H new ATOM 983 N CYS A 63 -1.663 -7.158 5.245 1.00 0.00 N ATOM 984 CA CYS A 63 -1.616 -8.192 4.217 1.00 0.00 C ATOM 985 C CYS A 63 -0.641 -9.299 4.604 1.00 0.00 C ATOM 986 O CYS A 63 -0.019 -9.252 5.665 1.00 0.00 O ATOM 987 CB CYS A 63 -1.209 -7.585 2.873 1.00 0.00 C ATOM 988 SG CYS A 63 0.558 -7.233 2.726 1.00 0.00 S ATOM 0 H CYS A 63 -1.394 -6.229 4.922 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.612 -8.625 4.126 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.500 -8.268 2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.766 -6.661 2.720 1.00 0.00 H new ATOM 0 HG CYS A 63 0.959 -6.577 3.775 1.00 0.00 H new ATOM 994 N LYS A 64 -0.514 -10.298 3.736 1.00 0.00 N ATOM 995 CA LYS A 64 0.384 -11.419 3.986 1.00 0.00 C ATOM 996 C LYS A 64 1.735 -11.194 3.315 1.00 0.00 C ATOM 997 O LYS A 64 1.861 -10.428 2.360 1.00 0.00 O ATOM 998 CB LYS A 64 -0.239 -12.721 3.478 1.00 0.00 C ATOM 999 CG LYS A 64 -1.579 -13.045 4.117 1.00 0.00 C ATOM 1000 CD LYS A 64 -2.732 -12.450 3.326 1.00 0.00 C ATOM 1001 CE LYS A 64 -4.013 -13.245 3.526 1.00 0.00 C ATOM 1002 NZ LYS A 64 -5.150 -12.667 2.756 1.00 0.00 N ATOM 0 H LYS A 64 -1.022 -10.354 2.853 1.00 0.00 H new ATOM 0 HA LYS A 64 0.541 -11.494 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.368 -12.655 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.452 -13.542 3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.700 -14.126 4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.599 -12.661 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.892 -11.417 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.476 -12.430 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.852 -14.277 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.266 -13.266 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.040 -13.104 3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.192 -11.640 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.013 -12.853 1.742 1.00 0.00 H new ATOM 1016 N PRO A 65 2.771 -11.877 3.825 1.00 0.00 N ATOM 1017 CA PRO A 65 4.131 -11.770 3.288 1.00 0.00 C ATOM 1018 C PRO A 65 4.167 -11.902 1.770 1.00 0.00 C ATOM 1019 O PRO A 65 5.133 -11.494 1.125 1.00 0.00 O ATOM 1020 CB PRO A 65 4.865 -12.942 3.945 1.00 0.00 C ATOM 1021 CG PRO A 65 4.120 -13.194 5.210 1.00 0.00 C ATOM 1022 CD PRO A 65 2.694 -12.808 4.963 1.00 0.00 C ATOM 0 HA PRO A 65 4.577 -10.798 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.862 -13.822 3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.908 -12.695 4.142 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.191 -14.243 5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.541 -12.610 6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.080 -13.677 4.727 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.251 -12.333 5.839 1.00 0.00 H new ATOM 1030 N GLU A 66 3.108 -12.473 1.204 1.00 0.00 N ATOM 1031 CA GLU A 66 3.021 -12.658 -0.240 1.00 0.00 C ATOM 1032 C GLU A 66 2.460 -11.410 -0.915 1.00 0.00 C ATOM 1033 O GLU A 66 2.777 -11.120 -2.069 1.00 0.00 O ATOM 1034 CB GLU A 66 2.143 -13.868 -0.569 1.00 0.00 C ATOM 1035 CG GLU A 66 0.692 -13.698 -0.152 1.00 0.00 C ATOM 1036 CD GLU A 66 -0.162 -14.900 -0.507 1.00 0.00 C ATOM 1037 OE1 GLU A 66 -0.688 -14.939 -1.639 1.00 0.00 O ATOM 1038 OE2 GLU A 66 -0.303 -15.801 0.346 1.00 0.00 O ATOM 0 H GLU A 66 2.299 -12.815 1.723 1.00 0.00 H new ATOM 0 HA GLU A 66 4.027 -12.834 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.184 -14.055 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.553 -14.749 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.645 -13.528 0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.281 -12.810 -0.633 1.00 0.00 H new ATOM 1045 N TYR A 67 1.625 -10.676 -0.189 1.00 0.00 N ATOM 1046 CA TYR A 67 1.017 -9.461 -0.718 1.00 0.00 C ATOM 1047 C TYR A 67 1.880 -8.241 -0.409 1.00 0.00 C ATOM 1048 O TYR A 67 1.375 -7.126 -0.275 1.00 0.00 O ATOM 1049 CB TYR A 67 -0.383 -9.270 -0.133 1.00 0.00 C ATOM 1050 CG TYR A 67 -1.424 -10.180 -0.745 1.00 0.00 C ATOM 1051 CD1 TYR A 67 -2.098 -9.818 -1.905 1.00 0.00 C ATOM 1052 CD2 TYR A 67 -1.733 -11.404 -0.163 1.00 0.00 C ATOM 1053 CE1 TYR A 67 -3.050 -10.646 -2.466 1.00 0.00 C ATOM 1054 CE2 TYR A 67 -2.683 -12.240 -0.719 1.00 0.00 C ATOM 1055 CZ TYR A 67 -3.339 -11.856 -1.870 1.00 0.00 C ATOM 1056 OH TYR A 67 -4.286 -12.685 -2.427 1.00 0.00 O ATOM 0 H TYR A 67 1.353 -10.901 0.768 1.00 0.00 H new ATOM 0 HA TYR A 67 0.940 -9.565 -1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.346 -9.446 0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.689 -8.234 -0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.873 -8.872 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.222 -11.707 0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.566 -10.348 -3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.910 -13.188 -0.255 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.879 -12.162 -3.006 1.00 0.00 H new ATOM 1066 N LYS A 68 3.185 -8.461 -0.298 1.00 0.00 N ATOM 1067 CA LYS A 68 4.122 -7.382 -0.007 1.00 0.00 C ATOM 1068 C LYS A 68 4.553 -6.676 -1.289 1.00 0.00 C ATOM 1069 O LYS A 68 4.999 -5.529 -1.257 1.00 0.00 O ATOM 1070 CB LYS A 68 5.350 -7.928 0.725 1.00 0.00 C ATOM 1071 CG LYS A 68 5.020 -8.615 2.038 1.00 0.00 C ATOM 1072 CD LYS A 68 4.167 -7.730 2.931 1.00 0.00 C ATOM 1073 CE LYS A 68 4.201 -8.200 4.378 1.00 0.00 C ATOM 1074 NZ LYS A 68 3.450 -7.281 5.277 1.00 0.00 N ATOM 0 H LYS A 68 3.619 -9.378 -0.405 1.00 0.00 H new ATOM 0 HA LYS A 68 3.617 -6.659 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.866 -8.634 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.042 -7.108 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.493 -9.548 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.943 -8.874 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.523 -6.702 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.138 -7.732 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.776 -9.201 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.236 -8.270 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.920 -7.837 5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.118 -6.653 5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.787 -6.710 4.715 1.00 0.00 H new ATOM 1088 N VAL A 69 4.415 -7.367 -2.415 1.00 0.00 N ATOM 1089 CA VAL A 69 4.788 -6.805 -3.708 1.00 0.00 C ATOM 1090 C VAL A 69 3.674 -5.926 -4.267 1.00 0.00 C ATOM 1091 O VAL A 69 3.903 -4.804 -4.717 1.00 0.00 O ATOM 1092 CB VAL A 69 5.115 -7.912 -4.728 1.00 0.00 C ATOM 1093 CG1 VAL A 69 4.758 -7.461 -6.137 1.00 0.00 C ATOM 1094 CG2 VAL A 69 6.583 -8.301 -4.639 1.00 0.00 C ATOM 0 H VAL A 69 4.047 -8.317 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 69 5.678 -6.198 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 69 4.515 -8.791 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.996 -8.255 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.693 -7.236 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.330 -6.568 -6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.797 -9.084 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.204 -7.430 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.802 -8.668 -3.636 1.00 0.00 H new ATOM 1104 N PRO A 70 2.439 -6.447 -4.237 1.00 0.00 N ATOM 1105 CA PRO A 70 1.264 -5.726 -4.736 1.00 0.00 C ATOM 1106 C PRO A 70 1.196 -4.296 -4.213 1.00 0.00 C ATOM 1107 O PRO A 70 1.226 -3.339 -4.986 1.00 0.00 O ATOM 1108 CB PRO A 70 0.089 -6.548 -4.200 1.00 0.00 C ATOM 1109 CG PRO A 70 0.636 -7.924 -4.029 1.00 0.00 C ATOM 1110 CD PRO A 70 2.093 -7.780 -3.714 1.00 0.00 C ATOM 0 HA PRO A 70 1.275 -5.631 -5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.276 -6.147 -3.255 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.750 -6.539 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.118 -8.448 -3.226 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.494 -8.511 -4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.279 -7.849 -2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.684 -8.562 -4.191 1.00 0.00 H new ATOM 1118 N GLY A 71 1.104 -4.157 -2.893 1.00 0.00 N ATOM 1119 CA GLY A 71 1.034 -2.839 -2.290 1.00 0.00 C ATOM 1120 C GLY A 71 1.928 -1.833 -2.987 1.00 0.00 C ATOM 1121 O GLY A 71 1.456 -0.807 -3.478 1.00 0.00 O ATOM 0 H GLY A 71 1.077 -4.933 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.004 -2.485 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.319 -2.908 -1.240 1.00 0.00 H new ATOM 1125 N LEU A 72 3.223 -2.126 -3.031 1.00 0.00 N ATOM 1126 CA LEU A 72 4.187 -1.238 -3.672 1.00 0.00 C ATOM 1127 C LEU A 72 3.644 -0.711 -4.997 1.00 0.00 C ATOM 1128 O LEU A 72 3.714 0.486 -5.276 1.00 0.00 O ATOM 1129 CB LEU A 72 5.509 -1.971 -3.904 1.00 0.00 C ATOM 1130 CG LEU A 72 6.758 -1.092 -3.991 1.00 0.00 C ATOM 1131 CD1 LEU A 72 6.578 -0.012 -5.045 1.00 0.00 C ATOM 1132 CD2 LEU A 72 7.068 -0.472 -2.636 1.00 0.00 C ATOM 0 H LEU A 72 3.630 -2.971 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 72 4.361 -0.390 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.650 -2.689 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.427 -2.543 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 72 7.601 -1.718 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.476 0.603 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.404 -0.476 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.724 0.613 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.959 0.150 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.226 0.141 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.241 -1.262 -1.905 1.00 0.00 H new ATOM 1144 N TYR A 73 3.102 -1.613 -5.808 1.00 0.00 N ATOM 1145 CA TYR A 73 2.548 -1.239 -7.104 1.00 0.00 C ATOM 1146 C TYR A 73 1.421 -0.223 -6.942 1.00 0.00 C ATOM 1147 O TYR A 73 1.328 0.744 -7.698 1.00 0.00 O ATOM 1148 CB TYR A 73 2.031 -2.478 -7.837 1.00 0.00 C ATOM 1149 CG TYR A 73 3.130 -3.367 -8.374 1.00 0.00 C ATOM 1150 CD1 TYR A 73 4.440 -3.228 -7.931 1.00 0.00 C ATOM 1151 CD2 TYR A 73 2.860 -4.344 -9.324 1.00 0.00 C ATOM 1152 CE1 TYR A 73 5.448 -4.038 -8.418 1.00 0.00 C ATOM 1153 CE2 TYR A 73 3.861 -5.158 -9.816 1.00 0.00 C ATOM 1154 CZ TYR A 73 5.154 -5.001 -9.360 1.00 0.00 C ATOM 1155 OH TYR A 73 6.154 -5.810 -9.849 1.00 0.00 O ATOM 0 H TYR A 73 3.035 -2.607 -5.591 1.00 0.00 H new ATOM 0 HA TYR A 73 3.343 -0.782 -7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.406 -3.057 -7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.395 -2.162 -8.664 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.674 -2.474 -7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.849 -4.469 -9.684 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.461 -3.917 -8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.633 -5.913 -10.554 1.00 0.00 H new ATOM 0 HH TYR A 73 5.778 -6.435 -10.504 1.00 0.00 H new ATOM 1165 N VAL A 74 0.567 -0.450 -5.949 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.553 0.445 -5.685 1.00 0.00 C ATOM 1167 C VAL A 74 -0.073 1.874 -5.457 1.00 0.00 C ATOM 1168 O VAL A 74 -0.709 2.831 -5.900 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.362 -0.015 -4.457 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -2.444 0.999 -4.119 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -1.966 -1.390 -4.702 1.00 0.00 C ATOM 0 H VAL A 74 0.630 -1.246 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.195 0.416 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.686 -0.086 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.005 0.657 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.984 1.962 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.120 1.106 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.534 -1.699 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.628 -1.348 -5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.169 -2.109 -4.890 1.00 0.00 H new ATOM 1181 N ILE A 75 1.052 2.010 -4.764 1.00 0.00 N ATOM 1182 CA ILE A 75 1.618 3.323 -4.479 1.00 0.00 C ATOM 1183 C ILE A 75 2.166 3.972 -5.745 1.00 0.00 C ATOM 1184 O ILE A 75 1.957 5.162 -5.985 1.00 0.00 O ATOM 1185 CB ILE A 75 2.745 3.235 -3.432 1.00 0.00 C ATOM 1186 CG1 ILE A 75 2.198 2.707 -2.104 1.00 0.00 C ATOM 1187 CG2 ILE A 75 3.397 4.596 -3.240 1.00 0.00 C ATOM 1188 CD1 ILE A 75 3.263 2.129 -1.199 1.00 0.00 C ATOM 0 H ILE A 75 1.589 1.228 -4.390 1.00 0.00 H new ATOM 0 HA ILE A 75 0.809 3.935 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 75 3.502 2.539 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.690 3.518 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.450 1.940 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.191 4.518 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.818 4.935 -4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.650 5.312 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.803 1.774 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.756 1.297 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.999 2.899 -0.965 1.00 0.00 H new ATOM 1200 N ASP A 76 2.865 3.183 -6.553 1.00 0.00 N ATOM 1201 CA ASP A 76 3.440 3.680 -7.798 1.00 0.00 C ATOM 1202 C ASP A 76 2.344 4.068 -8.786 1.00 0.00 C ATOM 1203 O ASP A 76 2.297 5.203 -9.261 1.00 0.00 O ATOM 1204 CB ASP A 76 4.354 2.624 -8.420 1.00 0.00 C ATOM 1205 CG ASP A 76 4.538 2.823 -9.911 1.00 0.00 C ATOM 1206 OD1 ASP A 76 3.569 2.588 -10.664 1.00 0.00 O ATOM 1207 OD2 ASP A 76 5.649 3.212 -10.326 1.00 0.00 O ATOM 0 H ASP A 76 3.047 2.197 -6.369 1.00 0.00 H new ATOM 0 HA ASP A 76 4.028 4.568 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 76 5.327 2.655 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.937 1.634 -8.237 1.00 0.00 H new ATOM 1212 N SER A 77 1.467 3.118 -9.092 1.00 0.00 N ATOM 1213 CA SER A 77 0.374 3.359 -10.027 1.00 0.00 C ATOM 1214 C SER A 77 -0.389 4.626 -9.656 1.00 0.00 C ATOM 1215 O SER A 77 -0.852 5.363 -10.528 1.00 0.00 O ATOM 1216 CB SER A 77 -0.580 2.163 -10.048 1.00 0.00 C ATOM 1217 OG SER A 77 0.034 1.032 -10.642 1.00 0.00 O ATOM 0 H SER A 77 1.492 2.174 -8.706 1.00 0.00 H new ATOM 0 HA SER A 77 0.801 3.491 -11.021 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.888 1.921 -9.031 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.483 2.423 -10.601 1.00 0.00 H new ATOM 0 HG SER A 77 -0.529 0.242 -10.500 1.00 0.00 H new ATOM 1223 N ILE A 78 -0.517 4.874 -8.357 1.00 0.00 N ATOM 1224 CA ILE A 78 -1.223 6.052 -7.870 1.00 0.00 C ATOM 1225 C ILE A 78 -0.397 7.316 -8.085 1.00 0.00 C ATOM 1226 O ILE A 78 -0.763 8.183 -8.878 1.00 0.00 O ATOM 1227 CB ILE A 78 -1.566 5.925 -6.374 1.00 0.00 C ATOM 1228 CG1 ILE A 78 -2.701 4.919 -6.173 1.00 0.00 C ATOM 1229 CG2 ILE A 78 -1.946 7.282 -5.800 1.00 0.00 C ATOM 1230 CD1 ILE A 78 -2.783 4.373 -4.765 1.00 0.00 C ATOM 0 H ILE A 78 -0.141 4.274 -7.623 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.148 6.124 -8.442 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.685 5.562 -5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.648 5.397 -6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.568 4.090 -6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.186 7.175 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.111 7.973 -5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.814 7.671 -6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.610 3.666 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.851 3.866 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.947 5.193 -4.066 1.00 0.00 H new ATOM 1242 N VAL A 79 0.721 7.413 -7.373 1.00 0.00 N ATOM 1243 CA VAL A 79 1.602 8.569 -7.487 1.00 0.00 C ATOM 1244 C VAL A 79 1.846 8.932 -8.947 1.00 0.00 C ATOM 1245 O VAL A 79 1.709 10.090 -9.341 1.00 0.00 O ATOM 1246 CB VAL A 79 2.957 8.313 -6.800 1.00 0.00 C ATOM 1247 CG1 VAL A 79 3.908 9.474 -7.045 1.00 0.00 C ATOM 1248 CG2 VAL A 79 2.761 8.079 -5.309 1.00 0.00 C ATOM 0 H VAL A 79 1.038 6.705 -6.711 1.00 0.00 H new ATOM 0 HA VAL A 79 1.101 9.398 -6.988 1.00 0.00 H new ATOM 0 HB VAL A 79 3.400 7.415 -7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.860 9.275 -6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.072 9.590 -8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.475 10.390 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.728 7.900 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.297 8.957 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.118 7.212 -5.158 1.00 0.00 H new ATOM 1258 N ARG A 80 2.209 7.934 -9.746 1.00 0.00 N ATOM 1259 CA ARG A 80 2.473 8.148 -11.164 1.00 0.00 C ATOM 1260 C ARG A 80 1.334 8.924 -11.819 1.00 0.00 C ATOM 1261 O ARG A 80 1.565 9.795 -12.656 1.00 0.00 O ATOM 1262 CB ARG A 80 2.668 6.808 -11.876 1.00 0.00 C ATOM 1263 CG ARG A 80 4.027 6.176 -11.624 1.00 0.00 C ATOM 1264 CD ARG A 80 4.283 5.011 -12.568 1.00 0.00 C ATOM 1265 NE ARG A 80 4.472 5.455 -13.947 1.00 0.00 N ATOM 1266 CZ ARG A 80 4.336 4.658 -15.001 1.00 0.00 C ATOM 1267 NH1 ARG A 80 4.012 3.383 -14.834 1.00 0.00 N ATOM 1268 NH2 ARG A 80 4.524 5.136 -16.224 1.00 0.00 N ATOM 0 H ARG A 80 2.327 6.970 -9.436 1.00 0.00 H new ATOM 0 HA ARG A 80 3.387 8.735 -11.253 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.890 6.117 -11.551 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.538 6.954 -12.948 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.808 6.926 -11.750 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.082 5.829 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.167 4.465 -12.239 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.444 4.316 -12.523 1.00 0.00 H new ATOM 0 HE ARG A 80 4.722 6.430 -14.109 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.867 3.013 -13.895 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.908 2.773 -15.645 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.773 6.116 -16.356 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.419 4.523 -17.033 1.00 0.00 H new ATOM 1282 N GLN A 81 0.105 8.600 -11.430 1.00 0.00 N ATOM 1283 CA GLN A 81 -1.070 9.265 -11.980 1.00 0.00 C ATOM 1284 C GLN A 81 -1.185 10.692 -11.452 1.00 0.00 C ATOM 1285 O GLN A 81 -1.069 11.655 -12.209 1.00 0.00 O ATOM 1286 CB GLN A 81 -2.336 8.478 -11.636 1.00 0.00 C ATOM 1287 CG GLN A 81 -2.706 7.435 -12.679 1.00 0.00 C ATOM 1288 CD GLN A 81 -2.705 7.993 -14.088 1.00 0.00 C ATOM 1289 OE1 GLN A 81 -3.303 9.166 -14.261 1.00 0.00 O flip ATOM 1290 NE2 GLN A 81 -2.174 7.377 -15.012 1.00 0.00 N flip ATOM 0 H GLN A 81 -0.103 7.881 -10.736 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.959 9.305 -13.064 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.197 7.985 -10.674 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.166 9.174 -11.520 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.003 6.604 -12.621 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.694 7.034 -12.452 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.725 6.478 -14.834 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.183 7.765 -15.955 1.00 0.00 H new ATOM 1299 N SER A 82 -1.414 10.819 -10.149 1.00 0.00 N ATOM 1300 CA SER A 82 -1.548 12.128 -9.521 1.00 0.00 C ATOM 1301 C SER A 82 -0.473 13.085 -10.024 1.00 0.00 C ATOM 1302 O SER A 82 -0.775 14.176 -10.510 1.00 0.00 O ATOM 1303 CB SER A 82 -1.459 11.998 -7.999 1.00 0.00 C ATOM 1304 OG SER A 82 -0.325 11.239 -7.617 1.00 0.00 O ATOM 0 H SER A 82 -1.511 10.032 -9.508 1.00 0.00 H new ATOM 0 HA SER A 82 -2.524 12.533 -9.788 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.405 12.989 -7.549 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.363 11.523 -7.618 1.00 0.00 H new ATOM 0 HG SER A 82 -0.104 11.429 -6.681 1.00 0.00 H new ATOM 1310 N ARG A 83 0.784 12.670 -9.905 1.00 0.00 N ATOM 1311 CA ARG A 83 1.905 13.490 -10.347 1.00 0.00 C ATOM 1312 C ARG A 83 1.700 13.964 -11.783 1.00 0.00 C ATOM 1313 O ARG A 83 2.201 15.017 -12.178 1.00 0.00 O ATOM 1314 CB ARG A 83 3.213 12.704 -10.240 1.00 0.00 C ATOM 1315 CG ARG A 83 4.410 13.430 -10.831 1.00 0.00 C ATOM 1316 CD ARG A 83 5.484 12.455 -11.287 1.00 0.00 C ATOM 1317 NE ARG A 83 6.649 13.142 -11.839 1.00 0.00 N ATOM 1318 CZ ARG A 83 6.721 13.574 -13.093 1.00 0.00 C ATOM 1319 NH1 ARG A 83 5.701 13.391 -13.921 1.00 0.00 N ATOM 1320 NH2 ARG A 83 7.815 14.190 -13.522 1.00 0.00 N ATOM 0 H ARG A 83 1.051 11.770 -9.506 1.00 0.00 H new ATOM 0 HA ARG A 83 1.960 14.364 -9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.412 12.488 -9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.094 11.746 -10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.087 14.038 -11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.827 14.111 -10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.793 11.837 -10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.069 11.784 -12.039 1.00 0.00 H new ATOM 0 HE ARG A 83 7.451 13.298 -11.228 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.858 12.917 -13.595 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.759 13.724 -14.883 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.602 14.332 -12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.869 14.521 -14.485 1.00 0.00 H new ATOM 1334 N HIS A 84 0.959 13.179 -12.559 1.00 0.00 N ATOM 1335 CA HIS A 84 0.687 13.518 -13.952 1.00 0.00 C ATOM 1336 C HIS A 84 -0.635 14.267 -14.080 1.00 0.00 C ATOM 1337 O HIS A 84 -0.657 15.459 -14.385 1.00 0.00 O ATOM 1338 CB HIS A 84 0.656 12.253 -14.810 1.00 0.00 C ATOM 1339 CG HIS A 84 0.099 12.474 -16.183 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -1.176 12.645 -16.604 1.00 0.00 N flip ATOM 1341 CD2 HIS A 84 0.886 12.539 -17.313 1.00 0.00 C flip ATOM 1342 CE1 HIS A 84 -1.136 12.809 -17.967 1.00 0.00 C flip ATOM 1343 NE2 HIS A 84 0.120 12.741 -18.370 1.00 0.00 N flip ATOM 0 H HIS A 84 0.536 12.305 -12.247 1.00 0.00 H new ATOM 0 HA HIS A 84 1.488 14.168 -14.306 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.668 11.858 -14.897 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.060 11.494 -14.303 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.961 12.440 -17.331 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.992 12.968 -18.606 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.443 12.829 -19.333 1.00 0.00 H new ATOM 1351 N GLN A 85 -1.736 13.559 -13.846 1.00 0.00 N ATOM 1352 CA GLN A 85 -3.062 14.158 -13.938 1.00 0.00 C ATOM 1353 C GLN A 85 -3.059 15.577 -13.380 1.00 0.00 C ATOM 1354 O GLN A 85 -3.374 16.534 -14.088 1.00 0.00 O ATOM 1355 CB GLN A 85 -4.083 13.304 -13.184 1.00 0.00 C ATOM 1356 CG GLN A 85 -4.764 12.260 -14.054 1.00 0.00 C ATOM 1357 CD GLN A 85 -6.175 11.949 -13.596 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -6.321 10.895 -12.801 1.00 0.00 O flip ATOM 1359 NE2 GLN A 85 -7.124 12.647 -13.953 1.00 0.00 N flip ATOM 0 H GLN A 85 -1.736 12.571 -13.592 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.341 14.202 -14.991 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.584 12.804 -12.354 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.842 13.956 -12.753 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.790 12.613 -15.085 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.173 11.344 -14.046 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.966 13.448 -14.565 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.068 12.424 -13.637 1.00 0.00 H new ATOM 1449 N ASP A 91 0.932 16.823 -7.113 1.00 0.00 N ATOM 1450 CA ASP A 91 1.079 15.508 -6.501 1.00 0.00 C ATOM 1451 C ASP A 91 0.960 15.599 -4.983 1.00 0.00 C ATOM 1452 O ASP A 91 1.491 16.520 -4.362 1.00 0.00 O ATOM 1453 CB ASP A 91 2.425 14.891 -6.883 1.00 0.00 C ATOM 1454 CG ASP A 91 3.582 15.508 -6.122 1.00 0.00 C ATOM 1455 OD1 ASP A 91 3.457 16.676 -5.698 1.00 0.00 O ATOM 1456 OD2 ASP A 91 4.613 14.824 -5.952 1.00 0.00 O ATOM 0 HA ASP A 91 0.277 14.870 -6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.398 13.819 -6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.589 15.018 -7.953 1.00 0.00 H new ATOM 1461 N VAL A 92 0.259 14.637 -4.390 1.00 0.00 N ATOM 1462 CA VAL A 92 0.070 14.608 -2.945 1.00 0.00 C ATOM 1463 C VAL A 92 0.564 13.294 -2.352 1.00 0.00 C ATOM 1464 O VAL A 92 1.105 13.263 -1.247 1.00 0.00 O ATOM 1465 CB VAL A 92 -1.411 14.804 -2.568 1.00 0.00 C ATOM 1466 CG1 VAL A 92 -1.917 16.148 -3.072 1.00 0.00 C ATOM 1467 CG2 VAL A 92 -2.256 13.666 -3.121 1.00 0.00 C ATOM 0 H VAL A 92 -0.187 13.867 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 92 0.654 15.431 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.496 14.795 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.965 16.269 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.329 16.949 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.820 16.190 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.299 13.820 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.167 13.642 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.908 12.720 -2.707 1.00 0.00 H new ATOM 1477 N PHE A 93 0.374 12.208 -3.095 1.00 0.00 N ATOM 1478 CA PHE A 93 0.800 10.889 -2.643 1.00 0.00 C ATOM 1479 C PHE A 93 2.322 10.773 -2.659 1.00 0.00 C ATOM 1480 O PHE A 93 2.908 10.048 -1.856 1.00 0.00 O ATOM 1481 CB PHE A 93 0.186 9.801 -3.526 1.00 0.00 C ATOM 1482 CG PHE A 93 -1.312 9.870 -3.608 1.00 0.00 C ATOM 1483 CD1 PHE A 93 -1.931 10.743 -4.489 1.00 0.00 C ATOM 1484 CD2 PHE A 93 -2.102 9.063 -2.805 1.00 0.00 C ATOM 1485 CE1 PHE A 93 -3.310 10.810 -4.566 1.00 0.00 C ATOM 1486 CE2 PHE A 93 -3.481 9.125 -2.878 1.00 0.00 C ATOM 1487 CZ PHE A 93 -4.085 9.999 -3.760 1.00 0.00 C ATOM 0 H PHE A 93 -0.072 12.216 -4.012 1.00 0.00 H new ATOM 0 HA PHE A 93 0.454 10.755 -1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.601 9.882 -4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.476 8.824 -3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.329 11.378 -5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.635 8.377 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.780 11.495 -5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.085 8.491 -2.246 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.162 10.048 -3.820 1.00 0.00 H new ATOM 1497 N ALA A 94 2.954 11.494 -3.579 1.00 0.00 N ATOM 1498 CA ALA A 94 4.407 11.475 -3.699 1.00 0.00 C ATOM 1499 C ALA A 94 5.069 12.042 -2.448 1.00 0.00 C ATOM 1500 O ALA A 94 5.853 11.374 -1.774 1.00 0.00 O ATOM 1501 CB ALA A 94 4.845 12.254 -4.930 1.00 0.00 C ATOM 0 H ALA A 94 2.483 12.099 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 94 4.724 10.438 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.932 12.231 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.409 11.802 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.509 13.287 -4.845 1.00 0.00 H new ATOM 1507 N PRO A 95 4.748 13.305 -2.129 1.00 0.00 N ATOM 1508 CA PRO A 95 5.302 13.990 -0.957 1.00 0.00 C ATOM 1509 C PRO A 95 4.769 13.420 0.353 1.00 0.00 C ATOM 1510 O PRO A 95 5.417 13.522 1.395 1.00 0.00 O ATOM 1511 CB PRO A 95 4.836 15.437 -1.139 1.00 0.00 C ATOM 1512 CG PRO A 95 3.606 15.336 -1.974 1.00 0.00 C ATOM 1513 CD PRO A 95 3.820 14.161 -2.887 1.00 0.00 C ATOM 0 HA PRO A 95 6.385 13.881 -0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.625 15.909 -0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.600 16.040 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.723 15.191 -1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.446 16.250 -2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.885 13.646 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.245 14.467 -3.843 1.00 0.00 H new ATOM 1521 N ARG A 96 3.585 12.819 0.293 1.00 0.00 N ATOM 1522 CA ARG A 96 2.965 12.233 1.476 1.00 0.00 C ATOM 1523 C ARG A 96 3.575 10.871 1.791 1.00 0.00 C ATOM 1524 O ARG A 96 3.846 10.553 2.949 1.00 0.00 O ATOM 1525 CB ARG A 96 1.456 12.093 1.270 1.00 0.00 C ATOM 1526 CG ARG A 96 0.724 11.544 2.484 1.00 0.00 C ATOM 1527 CD ARG A 96 0.738 12.534 3.638 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.191 13.640 3.421 1.00 0.00 N ATOM 1529 CZ ARG A 96 -0.108 14.805 4.054 1.00 0.00 C ATOM 1530 NH1 ARG A 96 0.858 15.015 4.938 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -0.991 15.763 3.802 1.00 0.00 N ATOM 0 H ARG A 96 3.036 12.725 -0.562 1.00 0.00 H new ATOM 0 HA ARG A 96 3.149 12.898 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.040 13.068 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.273 11.437 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.306 11.312 2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.189 10.610 2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.477 12.018 4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.746 12.927 3.766 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.945 13.511 2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.539 14.281 5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.920 15.910 5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.734 15.605 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.926 16.657 4.289 1.00 0.00 H new ATOM 1545 N PHE A 97 3.788 10.069 0.753 1.00 0.00 N ATOM 1546 CA PHE A 97 4.365 8.740 0.919 1.00 0.00 C ATOM 1547 C PHE A 97 5.801 8.830 1.426 1.00 0.00 C ATOM 1548 O PHE A 97 6.244 7.998 2.218 1.00 0.00 O ATOM 1549 CB PHE A 97 4.327 7.976 -0.406 1.00 0.00 C ATOM 1550 CG PHE A 97 3.023 7.274 -0.656 1.00 0.00 C ATOM 1551 CD1 PHE A 97 2.440 6.494 0.331 1.00 0.00 C ATOM 1552 CD2 PHE A 97 2.379 7.394 -1.877 1.00 0.00 C ATOM 1553 CE1 PHE A 97 1.241 5.847 0.103 1.00 0.00 C ATOM 1554 CE2 PHE A 97 1.179 6.749 -2.111 1.00 0.00 C ATOM 1555 CZ PHE A 97 0.609 5.975 -1.119 1.00 0.00 C ATOM 0 H PHE A 97 3.570 10.316 -0.212 1.00 0.00 H new ATOM 0 HA PHE A 97 3.771 8.203 1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.518 8.672 -1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.133 7.242 -0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.929 6.391 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.820 7.999 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.798 5.241 0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.688 6.850 -3.068 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.329 5.471 -1.298 1.00 0.00 H new ATOM 1565 N SER A 98 6.523 9.845 0.964 1.00 0.00 N ATOM 1566 CA SER A 98 7.911 10.042 1.366 1.00 0.00 C ATOM 1567 C SER A 98 8.020 10.203 2.880 1.00 0.00 C ATOM 1568 O SER A 98 9.032 9.846 3.481 1.00 0.00 O ATOM 1569 CB SER A 98 8.497 11.271 0.669 1.00 0.00 C ATOM 1570 OG SER A 98 7.851 12.457 1.096 1.00 0.00 O ATOM 0 H SER A 98 6.170 10.544 0.311 1.00 0.00 H new ATOM 0 HA SER A 98 8.478 9.160 1.069 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.564 11.338 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.392 11.165 -0.411 1.00 0.00 H new ATOM 0 HG SER A 98 6.895 12.281 1.223 1.00 0.00 H new ATOM 1576 N ASN A 99 6.969 10.742 3.488 1.00 0.00 N ATOM 1577 CA ASN A 99 6.945 10.951 4.932 1.00 0.00 C ATOM 1578 C ASN A 99 7.481 9.727 5.667 1.00 0.00 C ATOM 1579 O ASN A 99 8.552 9.772 6.271 1.00 0.00 O ATOM 1580 CB ASN A 99 5.522 11.259 5.400 1.00 0.00 C ATOM 1581 CG ASN A 99 4.975 12.535 4.789 1.00 0.00 C ATOM 1582 OD1 ASN A 99 5.708 13.298 4.160 1.00 0.00 O ATOM 1583 ND2 ASN A 99 3.682 12.772 4.974 1.00 0.00 N ATOM 0 H ASN A 99 6.123 11.042 3.004 1.00 0.00 H new ATOM 0 HA ASN A 99 7.587 11.801 5.162 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.869 10.426 5.140 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.511 11.346 6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.258 13.615 4.588 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.113 12.111 5.503 1.00 0.00 H new ATOM 1590 N ASN A 100 6.728 8.633 5.611 1.00 0.00 N ATOM 1591 CA ASN A 100 7.127 7.395 6.272 1.00 0.00 C ATOM 1592 C ASN A 100 7.432 6.306 5.248 1.00 0.00 C ATOM 1593 O ASN A 100 7.421 5.117 5.570 1.00 0.00 O ATOM 1594 CB ASN A 100 6.026 6.923 7.223 1.00 0.00 C ATOM 1595 CG ASN A 100 5.283 8.078 7.867 1.00 0.00 C ATOM 1596 OD1 ASN A 100 4.296 8.574 7.324 1.00 0.00 O ATOM 1597 ND2 ASN A 100 5.757 8.512 9.029 1.00 0.00 N ATOM 0 H ASN A 100 5.838 8.578 5.115 1.00 0.00 H new ATOM 0 HA ASN A 100 8.032 7.593 6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.319 6.300 6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.465 6.298 8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.300 9.287 9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.578 8.070 9.442 1.00 0.00 H new ATOM 1604 N ILE A 101 7.704 6.720 4.015 1.00 0.00 N ATOM 1605 CA ILE A 101 8.013 5.779 2.945 1.00 0.00 C ATOM 1606 C ILE A 101 8.852 4.615 3.462 1.00 0.00 C ATOM 1607 O ILE A 101 8.627 3.463 3.090 1.00 0.00 O ATOM 1608 CB ILE A 101 8.767 6.467 1.791 1.00 0.00 C ATOM 1609 CG1 ILE A 101 9.081 5.458 0.685 1.00 0.00 C ATOM 1610 CG2 ILE A 101 10.045 7.114 2.305 1.00 0.00 C ATOM 1611 CD1 ILE A 101 8.002 5.363 -0.370 1.00 0.00 C ATOM 0 H ILE A 101 7.717 7.700 3.732 1.00 0.00 H new ATOM 0 HA ILE A 101 7.061 5.401 2.573 1.00 0.00 H new ATOM 0 HB ILE A 101 8.130 7.247 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.021 5.735 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.228 4.475 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.567 7.596 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 101 9.797 7.859 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.688 6.351 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.292 4.629 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.065 5.056 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.870 6.336 -0.844 1.00 0.00 H new ATOM 1623 N ILE A 102 9.816 4.924 4.322 1.00 0.00 N ATOM 1624 CA ILE A 102 10.686 3.902 4.892 1.00 0.00 C ATOM 1625 C ILE A 102 9.876 2.828 5.609 1.00 0.00 C ATOM 1626 O ILE A 102 9.941 1.650 5.260 1.00 0.00 O ATOM 1627 CB ILE A 102 11.698 4.512 5.880 1.00 0.00 C ATOM 1628 CG1 ILE A 102 12.524 5.601 5.192 1.00 0.00 C ATOM 1629 CG2 ILE A 102 12.605 3.429 6.446 1.00 0.00 C ATOM 1630 CD1 ILE A 102 13.473 5.066 4.142 1.00 0.00 C ATOM 0 H ILE A 102 10.015 5.873 4.639 1.00 0.00 H new ATOM 0 HA ILE A 102 11.228 3.450 4.062 1.00 0.00 H new ATOM 0 HB ILE A 102 11.149 4.966 6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.848 6.319 4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.096 6.142 5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 102 13.315 3.876 7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 102 12.002 2.686 6.969 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.149 2.948 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.026 5.893 3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.172 4.370 4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.905 4.549 3.368 1.00 0.00 H new ATOM 1642 N SER A 103 9.111 3.244 6.614 1.00 0.00 N ATOM 1643 CA SER A 103 8.288 2.317 7.383 1.00 0.00 C ATOM 1644 C SER A 103 7.371 1.515 6.465 1.00 0.00 C ATOM 1645 O SER A 103 7.108 0.336 6.705 1.00 0.00 O ATOM 1646 CB SER A 103 7.456 3.078 8.416 1.00 0.00 C ATOM 1647 OG SER A 103 7.207 2.278 9.560 1.00 0.00 O ATOM 0 H SER A 103 9.044 4.216 6.915 1.00 0.00 H new ATOM 0 HA SER A 103 8.951 1.624 7.901 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.980 3.987 8.711 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.510 3.386 7.970 1.00 0.00 H new ATOM 0 HG SER A 103 6.675 2.788 10.206 1.00 0.00 H new ATOM 1653 N THR A 104 6.886 2.163 5.410 1.00 0.00 N ATOM 1654 CA THR A 104 5.997 1.512 4.456 1.00 0.00 C ATOM 1655 C THR A 104 6.716 0.395 3.708 1.00 0.00 C ATOM 1656 O THR A 104 6.185 -0.705 3.557 1.00 0.00 O ATOM 1657 CB THR A 104 5.435 2.519 3.434 1.00 0.00 C ATOM 1658 OG1 THR A 104 4.608 3.481 4.099 1.00 0.00 O ATOM 1659 CG2 THR A 104 4.630 1.807 2.359 1.00 0.00 C ATOM 0 H THR A 104 7.094 3.138 5.195 1.00 0.00 H new ATOM 0 HA THR A 104 5.173 1.089 5.030 1.00 0.00 H new ATOM 0 HB THR A 104 6.274 3.028 2.959 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.517 4.279 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.244 2.539 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.270 1.097 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.798 1.274 2.820 1.00 0.00 H new ATOM 1667 N PHE A 105 7.927 0.684 3.243 1.00 0.00 N ATOM 1668 CA PHE A 105 8.719 -0.297 2.511 1.00 0.00 C ATOM 1669 C PHE A 105 9.141 -1.445 3.422 1.00 0.00 C ATOM 1670 O PHE A 105 9.142 -2.606 3.014 1.00 0.00 O ATOM 1671 CB PHE A 105 9.956 0.367 1.902 1.00 0.00 C ATOM 1672 CG PHE A 105 9.728 0.903 0.517 1.00 0.00 C ATOM 1673 CD1 PHE A 105 8.644 1.722 0.247 1.00 0.00 C ATOM 1674 CD2 PHE A 105 10.599 0.588 -0.513 1.00 0.00 C ATOM 1675 CE1 PHE A 105 8.432 2.217 -1.026 1.00 0.00 C ATOM 1676 CE2 PHE A 105 10.392 1.081 -1.788 1.00 0.00 C ATOM 1677 CZ PHE A 105 9.307 1.895 -2.045 1.00 0.00 C ATOM 0 H PHE A 105 8.381 1.590 3.360 1.00 0.00 H new ATOM 0 HA PHE A 105 8.100 -0.701 1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 105 10.277 1.182 2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.770 -0.357 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.957 1.977 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 105 11.449 -0.049 -0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.583 2.855 -1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.079 0.829 -2.583 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.143 2.279 -3.041 1.00 0.00 H new ATOM 1687 N GLN A 106 9.498 -1.111 4.658 1.00 0.00 N ATOM 1688 CA GLN A 106 9.924 -2.114 5.627 1.00 0.00 C ATOM 1689 C GLN A 106 8.945 -3.283 5.666 1.00 0.00 C ATOM 1690 O GLN A 106 9.351 -4.444 5.709 1.00 0.00 O ATOM 1691 CB GLN A 106 10.046 -1.490 7.018 1.00 0.00 C ATOM 1692 CG GLN A 106 11.144 -0.444 7.122 1.00 0.00 C ATOM 1693 CD GLN A 106 12.479 -1.038 7.529 1.00 0.00 C ATOM 1694 OE1 GLN A 106 12.537 -1.974 8.327 1.00 0.00 O ATOM 1695 NE2 GLN A 106 13.560 -0.496 6.981 1.00 0.00 N ATOM 0 H GLN A 106 9.501 -0.154 5.012 1.00 0.00 H new ATOM 0 HA GLN A 106 10.899 -2.490 5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.094 -1.033 7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.237 -2.279 7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.253 0.060 6.162 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.851 0.314 7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.465 0.279 6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.485 -0.854 7.217 1.00 0.00 H new ATOM 1704 N ASN A 107 7.654 -2.969 5.650 1.00 0.00 N ATOM 1705 CA ASN A 107 6.617 -3.994 5.684 1.00 0.00 C ATOM 1706 C ASN A 107 6.541 -4.735 4.353 1.00 0.00 C ATOM 1707 O ASN A 107 6.001 -5.839 4.274 1.00 0.00 O ATOM 1708 CB ASN A 107 5.260 -3.366 6.009 1.00 0.00 C ATOM 1709 CG ASN A 107 5.299 -2.529 7.273 1.00 0.00 C ATOM 1710 OD1 ASN A 107 6.306 -2.498 7.980 1.00 0.00 O ATOM 1711 ND2 ASN A 107 4.198 -1.845 7.563 1.00 0.00 N ATOM 0 H ASN A 107 7.301 -2.013 5.614 1.00 0.00 H new ATOM 0 HA ASN A 107 6.875 -4.710 6.464 1.00 0.00 H new ATOM 0 HB2 ASN A 107 4.941 -2.743 5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 107 4.515 -4.154 6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 107 4.164 -1.264 8.401 1.00 0.00 H new ATOM 0 HD22 ASN A 107 3.386 -1.900 6.948 1.00 0.00 H new ATOM 1718 N LEU A 108 7.086 -4.121 3.308 1.00 0.00 N ATOM 1719 CA LEU A 108 7.081 -4.722 1.979 1.00 0.00 C ATOM 1720 C LEU A 108 8.345 -5.544 1.748 1.00 0.00 C ATOM 1721 O LEU A 108 8.340 -6.509 0.984 1.00 0.00 O ATOM 1722 CB LEU A 108 6.962 -3.637 0.907 1.00 0.00 C ATOM 1723 CG LEU A 108 5.722 -2.746 0.990 1.00 0.00 C ATOM 1724 CD1 LEU A 108 5.859 -1.554 0.056 1.00 0.00 C ATOM 1725 CD2 LEU A 108 4.469 -3.543 0.660 1.00 0.00 C ATOM 0 H LEU A 108 7.537 -3.207 3.356 1.00 0.00 H new ATOM 0 HA LEU A 108 6.220 -5.387 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.846 -3.002 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.975 -4.118 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 108 5.633 -2.374 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 108 4.968 -0.931 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.734 -0.969 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.973 -1.906 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.597 -2.893 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.549 -3.945 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 108 4.363 -4.364 1.369 1.00 0.00 H new ATOM 1737 N TYR A 109 9.426 -5.156 2.416 1.00 0.00 N ATOM 1738 CA TYR A 109 10.698 -5.857 2.284 1.00 0.00 C ATOM 1739 C TYR A 109 10.737 -7.091 3.181 1.00 0.00 C ATOM 1740 O TYR A 109 11.768 -7.752 3.302 1.00 0.00 O ATOM 1741 CB TYR A 109 11.858 -4.922 2.634 1.00 0.00 C ATOM 1742 CG TYR A 109 12.183 -3.927 1.544 1.00 0.00 C ATOM 1743 CD1 TYR A 109 12.279 -4.326 0.216 1.00 0.00 C ATOM 1744 CD2 TYR A 109 12.393 -2.586 1.841 1.00 0.00 C ATOM 1745 CE1 TYR A 109 12.576 -3.420 -0.783 1.00 0.00 C ATOM 1746 CE2 TYR A 109 12.689 -1.672 0.848 1.00 0.00 C ATOM 1747 CZ TYR A 109 12.780 -2.094 -0.462 1.00 0.00 C ATOM 1748 OH TYR A 109 13.075 -1.187 -1.455 1.00 0.00 O ATOM 0 H TYR A 109 9.447 -4.360 3.054 1.00 0.00 H new ATOM 0 HA TYR A 109 10.799 -6.180 1.248 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.614 -4.380 3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.745 -5.520 2.845 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.118 -5.363 -0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.324 -2.252 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.648 -3.748 -1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.848 -0.633 1.096 1.00 0.00 H new ATOM 0 HH TYR A 109 14.006 -0.894 -1.364 1.00 0.00 H new ATOM 1758 N ARG A 110 9.604 -7.394 3.807 1.00 0.00 N ATOM 1759 CA ARG A 110 9.507 -8.547 4.694 1.00 0.00 C ATOM 1760 C ARG A 110 9.358 -9.838 3.892 1.00 0.00 C ATOM 1761 O ARG A 110 9.518 -10.935 4.429 1.00 0.00 O ATOM 1762 CB ARG A 110 8.321 -8.387 5.646 1.00 0.00 C ATOM 1763 CG ARG A 110 8.232 -7.008 6.281 1.00 0.00 C ATOM 1764 CD ARG A 110 7.599 -7.071 7.662 1.00 0.00 C ATOM 1765 NE ARG A 110 8.215 -8.095 8.501 1.00 0.00 N ATOM 1766 CZ ARG A 110 7.633 -8.611 9.577 1.00 0.00 C ATOM 1767 NH1 ARG A 110 6.426 -8.202 9.943 1.00 0.00 N ATOM 1768 NH2 ARG A 110 8.258 -9.540 10.290 1.00 0.00 N ATOM 0 H ARG A 110 8.741 -6.857 3.716 1.00 0.00 H new ATOM 0 HA ARG A 110 10.426 -8.604 5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 110 7.399 -8.587 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.395 -9.137 6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 110 9.230 -6.576 6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.646 -6.348 5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.693 -6.100 8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.533 -7.277 7.563 1.00 0.00 H new ATOM 0 HE ARG A 110 9.143 -8.432 8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.942 -7.489 9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.982 -8.600 10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.186 -9.858 10.011 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.810 -9.936 11.116 1.00 0.00 H new ATOM 1782 N CYS A 111 9.052 -9.698 2.608 1.00 0.00 N ATOM 1783 CA CYS A 111 8.880 -10.852 1.733 1.00 0.00 C ATOM 1784 C CYS A 111 10.051 -11.820 1.873 1.00 0.00 C ATOM 1785 O CYS A 111 11.146 -11.451 2.299 1.00 0.00 O ATOM 1786 CB CYS A 111 8.748 -10.400 0.278 1.00 0.00 C ATOM 1787 SG CYS A 111 10.288 -9.793 -0.449 1.00 0.00 S ATOM 0 H CYS A 111 8.918 -8.797 2.149 1.00 0.00 H new ATOM 0 HA CYS A 111 7.967 -11.369 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 111 8.381 -11.235 -0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.996 -9.613 0.220 1.00 0.00 H new ATOM 0 HG CYS A 111 10.038 -8.756 -1.193 1.00 0.00 H new ATOM 1793 N PRO A 112 9.817 -13.089 1.508 1.00 0.00 N ATOM 1794 CA PRO A 112 10.840 -14.136 1.586 1.00 0.00 C ATOM 1795 C PRO A 112 12.167 -13.697 0.976 1.00 0.00 C ATOM 1796 O PRO A 112 13.236 -14.023 1.491 1.00 0.00 O ATOM 1797 CB PRO A 112 10.233 -15.285 0.776 1.00 0.00 C ATOM 1798 CG PRO A 112 8.761 -15.075 0.865 1.00 0.00 C ATOM 1799 CD PRO A 112 8.536 -13.600 0.992 1.00 0.00 C ATOM 0 HA PRO A 112 11.075 -14.400 2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.574 -15.263 -0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.520 -16.253 1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.261 -15.466 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 112 8.347 -15.604 1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.284 -13.150 0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.714 -13.378 1.673 1.00 0.00 H new ATOM 1807 N GLY A 113 12.090 -12.955 -0.124 1.00 0.00 N ATOM 1808 CA GLY A 113 13.293 -12.483 -0.785 1.00 0.00 C ATOM 1809 C GLY A 113 13.163 -12.487 -2.296 1.00 0.00 C ATOM 1810 O GLY A 113 13.611 -11.556 -2.966 1.00 0.00 O ATOM 0 H GLY A 113 11.217 -12.672 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 113 13.518 -11.472 -0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 113 14.135 -13.112 -0.494 1.00 0.00 H new ATOM 1814 N ASP A 114 12.551 -13.537 -2.832 1.00 0.00 N ATOM 1815 CA ASP A 114 12.365 -13.658 -4.274 1.00 0.00 C ATOM 1816 C ASP A 114 11.353 -12.635 -4.779 1.00 0.00 C ATOM 1817 O ASP A 114 11.067 -12.569 -5.975 1.00 0.00 O ATOM 1818 CB ASP A 114 11.903 -15.072 -4.632 1.00 0.00 C ATOM 1819 CG ASP A 114 12.794 -16.142 -4.032 1.00 0.00 C ATOM 1820 OD1 ASP A 114 12.541 -16.546 -2.878 1.00 0.00 O ATOM 1821 OD2 ASP A 114 13.745 -16.575 -4.717 1.00 0.00 O ATOM 0 H ASP A 114 12.176 -14.316 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 114 13.322 -13.463 -4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 114 10.881 -15.216 -4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.887 -15.182 -5.716 1.00 0.00 H new ATOM 1826 N ASP A 115 10.813 -11.841 -3.861 1.00 0.00 N ATOM 1827 CA ASP A 115 9.833 -10.821 -4.214 1.00 0.00 C ATOM 1828 C ASP A 115 10.468 -9.434 -4.215 1.00 0.00 C ATOM 1829 O ASP A 115 10.075 -8.560 -4.988 1.00 0.00 O ATOM 1830 CB ASP A 115 8.656 -10.856 -3.237 1.00 0.00 C ATOM 1831 CG ASP A 115 7.545 -11.777 -3.702 1.00 0.00 C ATOM 1832 OD1 ASP A 115 7.855 -12.802 -4.344 1.00 0.00 O ATOM 1833 OD2 ASP A 115 6.366 -11.473 -3.424 1.00 0.00 O ATOM 0 H ASP A 115 11.037 -11.884 -2.867 1.00 0.00 H new ATOM 0 HA ASP A 115 9.468 -11.034 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 115 9.009 -11.182 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 115 8.260 -9.848 -3.113 1.00 0.00 H new ATOM 1838 N LYS A 116 11.451 -9.238 -3.343 1.00 0.00 N ATOM 1839 CA LYS A 116 12.142 -7.958 -3.242 1.00 0.00 C ATOM 1840 C LYS A 116 12.387 -7.362 -4.625 1.00 0.00 C ATOM 1841 O LYS A 116 12.240 -6.157 -4.826 1.00 0.00 O ATOM 1842 CB LYS A 116 13.472 -8.130 -2.506 1.00 0.00 C ATOM 1843 CG LYS A 116 13.366 -7.931 -1.004 1.00 0.00 C ATOM 1844 CD LYS A 116 14.649 -8.334 -0.296 1.00 0.00 C ATOM 1845 CE LYS A 116 14.494 -8.275 1.216 1.00 0.00 C ATOM 1846 NZ LYS A 116 13.570 -9.328 1.720 1.00 0.00 N ATOM 0 H LYS A 116 11.787 -9.950 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 116 11.508 -7.274 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.861 -9.128 -2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.195 -7.420 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.144 -6.886 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.535 -8.520 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.929 -9.344 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.459 -7.674 -0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.470 -8.393 1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.118 -7.293 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.804 -8.885 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.166 -9.849 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.094 -9.987 2.331 1.00 0.00 H new ATOM 1860 N SER A 117 12.759 -8.214 -5.574 1.00 0.00 N ATOM 1861 CA SER A 117 13.027 -7.771 -6.937 1.00 0.00 C ATOM 1862 C SER A 117 11.886 -6.903 -7.460 1.00 0.00 C ATOM 1863 O SER A 117 12.114 -5.864 -8.079 1.00 0.00 O ATOM 1864 CB SER A 117 13.229 -8.976 -7.858 1.00 0.00 C ATOM 1865 OG SER A 117 13.437 -8.565 -9.198 1.00 0.00 O ATOM 0 H SER A 117 12.882 -9.215 -5.424 1.00 0.00 H new ATOM 0 HA SER A 117 13.939 -7.175 -6.926 1.00 0.00 H new ATOM 0 HB2 SER A 117 14.084 -9.559 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.357 -9.628 -7.806 1.00 0.00 H new ATOM 0 HG SER A 117 13.565 -9.353 -9.766 1.00 0.00 H new ATOM 1871 N LYS A 118 10.656 -7.338 -7.206 1.00 0.00 N ATOM 1872 CA LYS A 118 9.478 -6.603 -7.649 1.00 0.00 C ATOM 1873 C LYS A 118 9.357 -5.273 -6.911 1.00 0.00 C ATOM 1874 O LYS A 118 8.660 -4.364 -7.361 1.00 0.00 O ATOM 1875 CB LYS A 118 8.216 -7.439 -7.425 1.00 0.00 C ATOM 1876 CG LYS A 118 7.939 -8.433 -8.539 1.00 0.00 C ATOM 1877 CD LYS A 118 8.621 -9.766 -8.279 1.00 0.00 C ATOM 1878 CE LYS A 118 8.314 -10.773 -9.377 1.00 0.00 C ATOM 1879 NZ LYS A 118 9.236 -10.627 -10.537 1.00 0.00 N ATOM 0 H LYS A 118 10.450 -8.196 -6.695 1.00 0.00 H new ATOM 0 HA LYS A 118 9.587 -6.399 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 118 8.311 -7.979 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.361 -6.771 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.864 -8.586 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.287 -8.024 -9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.699 -9.617 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.293 -10.162 -7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.393 -11.783 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.285 -10.642 -9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.994 -11.331 -11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 9.143 -9.671 -10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.216 -10.777 -10.223 1.00 0.00 H new ATOM 1893 N ILE A 119 10.041 -5.167 -5.776 1.00 0.00 N ATOM 1894 CA ILE A 119 10.011 -3.948 -4.978 1.00 0.00 C ATOM 1895 C ILE A 119 11.122 -2.990 -5.396 1.00 0.00 C ATOM 1896 O ILE A 119 10.922 -1.777 -5.454 1.00 0.00 O ATOM 1897 CB ILE A 119 10.152 -4.255 -3.476 1.00 0.00 C ATOM 1898 CG1 ILE A 119 9.116 -5.295 -3.046 1.00 0.00 C ATOM 1899 CG2 ILE A 119 10.002 -2.981 -2.658 1.00 0.00 C ATOM 1900 CD1 ILE A 119 9.314 -5.798 -1.633 1.00 0.00 C ATOM 0 H ILE A 119 10.622 -5.911 -5.389 1.00 0.00 H new ATOM 0 HA ILE A 119 9.043 -3.478 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 119 11.146 -4.664 -3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.120 -4.861 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 119 9.155 -6.141 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.104 -3.215 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.774 -2.269 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.020 -2.545 -2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.544 -6.532 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 119 10.296 -6.262 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.245 -4.963 -0.936 1.00 0.00 H new ATOM 1912 N VAL A 120 12.295 -3.544 -5.689 1.00 0.00 N ATOM 1913 CA VAL A 120 13.437 -2.740 -6.105 1.00 0.00 C ATOM 1914 C VAL A 120 13.259 -2.229 -7.531 1.00 0.00 C ATOM 1915 O VAL A 120 13.814 -1.194 -7.903 1.00 0.00 O ATOM 1916 CB VAL A 120 14.749 -3.543 -6.020 1.00 0.00 C ATOM 1917 CG1 VAL A 120 14.851 -4.258 -4.681 1.00 0.00 C ATOM 1918 CG2 VAL A 120 14.844 -4.532 -7.171 1.00 0.00 C ATOM 0 H VAL A 120 12.478 -4.546 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 120 13.493 -1.892 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 120 15.586 -2.849 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 120 15.784 -4.820 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 120 14.832 -3.525 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 120 14.010 -4.942 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 120 15.777 -5.090 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.003 -5.224 -7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.821 -3.992 -8.118 1.00 0.00 H new ATOM 1928 N ARG A 121 12.483 -2.960 -8.323 1.00 0.00 N ATOM 1929 CA ARG A 121 12.232 -2.581 -9.708 1.00 0.00 C ATOM 1930 C ARG A 121 11.403 -1.302 -9.780 1.00 0.00 C ATOM 1931 O ARG A 121 11.514 -0.530 -10.734 1.00 0.00 O ATOM 1932 CB ARG A 121 11.511 -3.710 -10.447 1.00 0.00 C ATOM 1933 CG ARG A 121 10.038 -3.827 -10.091 1.00 0.00 C ATOM 1934 CD ARG A 121 9.241 -4.461 -11.221 1.00 0.00 C ATOM 1935 NE ARG A 121 9.620 -3.923 -12.526 1.00 0.00 N ATOM 1936 CZ ARG A 121 9.452 -4.581 -13.668 1.00 0.00 C ATOM 1937 NH1 ARG A 121 8.914 -5.793 -13.666 1.00 0.00 N ATOM 1938 NH2 ARG A 121 9.821 -4.025 -14.815 1.00 0.00 N ATOM 0 H ARG A 121 12.017 -3.818 -8.030 1.00 0.00 H new ATOM 0 HA ARG A 121 13.194 -2.399 -10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.605 -3.548 -11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.007 -4.655 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 121 9.927 -4.425 -9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 121 9.636 -2.838 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 121 9.397 -5.540 -11.214 1.00 0.00 H new ATOM 0 HD3 ARG A 121 8.177 -4.292 -11.054 1.00 0.00 H new ATOM 0 HE ARG A 121 10.036 -2.992 -12.562 1.00 0.00 H new ATOM 0 HH11 ARG A 121 8.628 -6.223 -12.786 1.00 0.00 H new ATOM 0 HH12 ARG A 121 8.786 -6.296 -14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 121 10.234 -3.092 -14.820 1.00 0.00 H new ATOM 0 HH22 ARG A 121 9.692 -4.530 -15.692 1.00 0.00 H new ATOM 1952 N VAL A 122 10.572 -1.083 -8.767 1.00 0.00 N ATOM 1953 CA VAL A 122 9.724 0.102 -8.714 1.00 0.00 C ATOM 1954 C VAL A 122 10.547 1.354 -8.431 1.00 0.00 C ATOM 1955 O VAL A 122 10.345 2.397 -9.053 1.00 0.00 O ATOM 1956 CB VAL A 122 8.632 -0.036 -7.637 1.00 0.00 C ATOM 1957 CG1 VAL A 122 7.622 1.095 -7.753 1.00 0.00 C ATOM 1958 CG2 VAL A 122 7.945 -1.389 -7.746 1.00 0.00 C ATOM 0 H VAL A 122 10.468 -1.712 -7.970 1.00 0.00 H new ATOM 0 HA VAL A 122 9.250 0.195 -9.691 1.00 0.00 H new ATOM 0 HB VAL A 122 9.103 0.029 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.858 0.981 -6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.129 2.051 -7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.154 1.065 -8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.176 -1.470 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.486 -1.486 -8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.680 -2.182 -7.609 1.00 0.00 H new ATOM 1968 N LEU A 123 11.476 1.243 -7.488 1.00 0.00 N ATOM 1969 CA LEU A 123 12.332 2.366 -7.121 1.00 0.00 C ATOM 1970 C LEU A 123 13.093 2.890 -8.335 1.00 0.00 C ATOM 1971 O LEU A 123 13.104 4.090 -8.603 1.00 0.00 O ATOM 1972 CB LEU A 123 13.317 1.947 -6.029 1.00 0.00 C ATOM 1973 CG LEU A 123 12.701 1.543 -4.689 1.00 0.00 C ATOM 1974 CD1 LEU A 123 13.781 1.085 -3.721 1.00 0.00 C ATOM 1975 CD2 LEU A 123 11.907 2.699 -4.097 1.00 0.00 C ATOM 0 H LEU A 123 11.656 0.387 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 123 11.697 3.166 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.907 1.110 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.008 2.772 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 123 12.019 0.710 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 123 13.324 0.802 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 123 14.306 0.227 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.488 1.897 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.476 2.394 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.568 3.552 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.108 2.981 -4.783 1.00 0.00 H new ATOM 1987 N ASN A 124 13.727 1.979 -9.067 1.00 0.00 N ATOM 1988 CA ASN A 124 14.490 2.349 -10.254 1.00 0.00 C ATOM 1989 C ASN A 124 13.630 3.152 -11.225 1.00 0.00 C ATOM 1990 O ASN A 124 14.112 4.080 -11.877 1.00 0.00 O ATOM 1991 CB ASN A 124 15.030 1.097 -10.949 1.00 0.00 C ATOM 1992 CG ASN A 124 16.353 0.638 -10.366 1.00 0.00 C ATOM 1993 OD1 ASN A 124 17.404 1.206 -10.660 1.00 0.00 O ATOM 1994 ND2 ASN A 124 16.305 -0.397 -9.535 1.00 0.00 N ATOM 0 H ASN A 124 13.727 0.980 -8.859 1.00 0.00 H new ATOM 0 HA ASN A 124 15.327 2.971 -9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 124 14.299 0.293 -10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 124 15.156 1.301 -12.012 1.00 0.00 H new ATOM 0 HD21 ASN A 124 17.163 -0.752 -9.112 1.00 0.00 H new ATOM 0 HD22 ASN A 124 15.410 -0.837 -9.320 1.00 0.00 H new ATOM 2001 N LEU A 125 12.355 2.791 -11.315 1.00 0.00 N ATOM 2002 CA LEU A 125 11.427 3.478 -12.206 1.00 0.00 C ATOM 2003 C LEU A 125 11.062 4.854 -11.657 1.00 0.00 C ATOM 2004 O LEU A 125 10.922 5.817 -12.410 1.00 0.00 O ATOM 2005 CB LEU A 125 10.161 2.642 -12.399 1.00 0.00 C ATOM 2006 CG LEU A 125 10.282 1.449 -13.349 1.00 0.00 C ATOM 2007 CD1 LEU A 125 9.207 0.417 -13.049 1.00 0.00 C ATOM 2008 CD2 LEU A 125 10.194 1.910 -14.797 1.00 0.00 C ATOM 0 H LEU A 125 11.940 2.027 -10.782 1.00 0.00 H new ATOM 0 HA LEU A 125 11.919 3.610 -13.170 1.00 0.00 H new ATOM 0 HB2 LEU A 125 9.841 2.274 -11.424 1.00 0.00 H new ATOM 0 HB3 LEU A 125 9.371 3.296 -12.768 1.00 0.00 H new ATOM 0 HG LEU A 125 11.256 0.983 -13.196 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.309 -0.424 -13.735 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.317 0.065 -12.023 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.223 0.870 -13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.282 1.049 -15.459 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.235 2.400 -14.965 1.00 0.00 H new ATOM 0 HD23 LEU A 125 11.002 2.612 -15.005 1.00 0.00 H new ATOM 2020 N TRP A 126 10.912 4.938 -10.340 1.00 0.00 N ATOM 2021 CA TRP A 126 10.566 6.197 -9.689 1.00 0.00 C ATOM 2022 C TRP A 126 11.640 7.250 -9.937 1.00 0.00 C ATOM 2023 O TRP A 126 11.341 8.363 -10.368 1.00 0.00 O ATOM 2024 CB TRP A 126 10.380 5.983 -8.186 1.00 0.00 C ATOM 2025 CG TRP A 126 9.030 5.442 -7.826 1.00 0.00 C ATOM 2026 CD1 TRP A 126 7.956 5.298 -8.657 1.00 0.00 C ATOM 2027 CD2 TRP A 126 8.609 4.975 -6.539 1.00 0.00 C ATOM 2028 NE1 TRP A 126 6.893 4.769 -7.965 1.00 0.00 N ATOM 2029 CE2 TRP A 126 7.268 4.561 -6.664 1.00 0.00 C ATOM 2030 CE3 TRP A 126 9.235 4.864 -5.295 1.00 0.00 C ATOM 2031 CZ2 TRP A 126 6.545 4.047 -5.591 1.00 0.00 C ATOM 2032 CZ3 TRP A 126 8.516 4.354 -4.231 1.00 0.00 C ATOM 2033 CH2 TRP A 126 7.183 3.950 -4.384 1.00 0.00 C ATOM 0 H TRP A 126 11.024 4.150 -9.702 1.00 0.00 H new ATOM 0 HA TRP A 126 9.629 6.554 -10.116 1.00 0.00 H new ATOM 0 HB2 TRP A 126 11.146 5.296 -7.826 1.00 0.00 H new ATOM 0 HB3 TRP A 126 10.533 6.931 -7.670 1.00 0.00 H new ATOM 0 HD1 TRP A 126 7.944 5.561 -9.704 1.00 0.00 H new ATOM 0 HE1 TRP A 126 5.974 4.564 -8.357 1.00 0.00 H new ATOM 0 HE3 TRP A 126 10.262 5.171 -5.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 5.517 3.736 -5.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 8.990 4.265 -3.264 1.00 0.00 H new ATOM 0 HH2 TRP A 126 6.649 3.554 -3.533 1.00 0.00 H new ATOM 2044 N GLN A 127 12.890 6.892 -9.660 1.00 0.00 N ATOM 2045 CA GLN A 127 14.007 7.808 -9.853 1.00 0.00 C ATOM 2046 C GLN A 127 14.113 8.239 -11.312 1.00 0.00 C ATOM 2047 O GLN A 127 14.624 9.317 -11.617 1.00 0.00 O ATOM 2048 CB GLN A 127 15.315 7.152 -9.407 1.00 0.00 C ATOM 2049 CG GLN A 127 16.343 8.141 -8.880 1.00 0.00 C ATOM 2050 CD GLN A 127 17.755 7.591 -8.920 1.00 0.00 C ATOM 2051 OE1 GLN A 127 18.273 7.255 -9.985 1.00 0.00 O ATOM 2052 NE2 GLN A 127 18.388 7.498 -7.756 1.00 0.00 N ATOM 0 H GLN A 127 13.154 5.974 -9.301 1.00 0.00 H new ATOM 0 HA GLN A 127 13.826 8.694 -9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 127 15.098 6.418 -8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 127 15.744 6.608 -10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 127 16.297 9.056 -9.470 1.00 0.00 H new ATOM 0 HG3 GLN A 127 16.091 8.410 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.921 7.788 -6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 127 19.341 7.137 -7.721 1.00 0.00 H new ATOM 2061 N LYS A 128 13.626 7.390 -12.211 1.00 0.00 N ATOM 2062 CA LYS A 128 13.664 7.682 -13.639 1.00 0.00 C ATOM 2063 C LYS A 128 12.545 8.643 -14.028 1.00 0.00 C ATOM 2064 O LYS A 128 12.795 9.700 -14.606 1.00 0.00 O ATOM 2065 CB LYS A 128 13.544 6.389 -14.448 1.00 0.00 C ATOM 2066 CG LYS A 128 13.158 6.613 -15.900 1.00 0.00 C ATOM 2067 CD LYS A 128 13.263 5.332 -16.710 1.00 0.00 C ATOM 2068 CE LYS A 128 12.900 5.563 -18.168 1.00 0.00 C ATOM 2069 NZ LYS A 128 13.978 6.282 -18.902 1.00 0.00 N ATOM 0 H LYS A 128 13.200 6.494 -11.975 1.00 0.00 H new ATOM 0 HA LYS A 128 14.620 8.156 -13.862 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.495 5.858 -14.412 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.801 5.744 -13.979 1.00 0.00 H new ATOM 0 HG2 LYS A 128 12.138 6.994 -15.951 1.00 0.00 H new ATOM 0 HG3 LYS A 128 13.805 7.374 -16.336 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.278 4.941 -16.644 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.602 4.576 -16.285 1.00 0.00 H new ATOM 0 HE2 LYS A 128 12.709 4.605 -18.651 1.00 0.00 H new ATOM 0 HE3 LYS A 128 11.976 6.138 -18.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 13.699 6.405 -19.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.131 7.214 -18.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.858 5.730 -18.855 1.00 0.00 H new ATOM 2083 N ASN A 129 11.312 8.270 -13.704 1.00 0.00 N ATOM 2084 CA ASN A 129 10.155 9.100 -14.019 1.00 0.00 C ATOM 2085 C ASN A 129 10.164 10.383 -13.193 1.00 0.00 C ATOM 2086 O ASN A 129 9.332 11.267 -13.391 1.00 0.00 O ATOM 2087 CB ASN A 129 8.860 8.325 -13.763 1.00 0.00 C ATOM 2088 CG ASN A 129 8.891 6.933 -14.364 1.00 0.00 C ATOM 2089 OD1 ASN A 129 8.599 5.947 -13.688 1.00 0.00 O ATOM 2090 ND2 ASN A 129 9.247 6.847 -15.640 1.00 0.00 N ATOM 0 H ASN A 129 11.088 7.399 -13.224 1.00 0.00 H new ATOM 0 HA ASN A 129 10.208 9.368 -15.074 1.00 0.00 H new ATOM 0 HB2 ASN A 129 8.691 8.250 -12.689 1.00 0.00 H new ATOM 0 HB3 ASN A 129 8.019 8.879 -14.180 1.00 0.00 H new ATOM 0 HD21 ASN A 129 9.287 5.937 -16.098 1.00 0.00 H new ATOM 0 HD22 ASN A 129 9.481 7.691 -16.162 1.00 0.00 H new ATOM 2097 N ASN A 130 11.113 10.476 -12.267 1.00 0.00 N ATOM 2098 CA ASN A 130 11.232 11.651 -11.410 1.00 0.00 C ATOM 2099 C ASN A 130 10.093 11.702 -10.396 1.00 0.00 C ATOM 2100 O ASN A 130 9.583 12.775 -10.072 1.00 0.00 O ATOM 2101 CB ASN A 130 11.234 12.926 -12.256 1.00 0.00 C ATOM 2102 CG ASN A 130 12.094 12.795 -13.498 1.00 0.00 C ATOM 2103 OD1 ASN A 130 13.060 12.032 -13.520 1.00 0.00 O ATOM 2104 ND2 ASN A 130 11.746 13.541 -14.540 1.00 0.00 N ATOM 0 H ASN A 130 11.810 9.753 -12.091 1.00 0.00 H new ATOM 0 HA ASN A 130 12.175 11.581 -10.868 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.212 13.166 -12.549 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.596 13.758 -11.653 1.00 0.00 H new ATOM 0 HD21 ASN A 130 12.287 13.495 -15.403 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.937 14.160 -14.477 1.00 0.00 H new ATOM 2111 N VAL A 131 9.699 10.534 -9.898 1.00 0.00 N ATOM 2112 CA VAL A 131 8.622 10.445 -8.919 1.00 0.00 C ATOM 2113 C VAL A 131 9.112 10.827 -7.527 1.00 0.00 C ATOM 2114 O VAL A 131 8.442 11.561 -6.801 1.00 0.00 O ATOM 2115 CB VAL A 131 8.024 9.026 -8.870 1.00 0.00 C ATOM 2116 CG1 VAL A 131 6.730 9.019 -8.070 1.00 0.00 C ATOM 2117 CG2 VAL A 131 7.794 8.496 -10.277 1.00 0.00 C ATOM 0 H VAL A 131 10.109 9.637 -10.156 1.00 0.00 H new ATOM 0 HA VAL A 131 7.849 11.146 -9.234 1.00 0.00 H new ATOM 0 HB VAL A 131 8.735 8.368 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 131 6.322 8.008 -8.046 1.00 0.00 H new ATOM 0 HG12 VAL A 131 6.930 9.354 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 131 6.009 9.690 -8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 131 7.371 7.493 -10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.103 9.153 -10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 131 8.743 8.462 -10.813 1.00 0.00 H new ATOM 2127 N PHE A 132 10.286 10.324 -7.160 1.00 0.00 N ATOM 2128 CA PHE A 132 10.867 10.612 -5.854 1.00 0.00 C ATOM 2129 C PHE A 132 12.327 11.032 -5.988 1.00 0.00 C ATOM 2130 O PHE A 132 13.029 10.598 -6.902 1.00 0.00 O ATOM 2131 CB PHE A 132 10.759 9.387 -4.943 1.00 0.00 C ATOM 2132 CG PHE A 132 9.343 8.996 -4.629 1.00 0.00 C ATOM 2133 CD1 PHE A 132 8.606 8.234 -5.522 1.00 0.00 C ATOM 2134 CD2 PHE A 132 8.749 9.390 -3.441 1.00 0.00 C ATOM 2135 CE1 PHE A 132 7.303 7.874 -5.236 1.00 0.00 C ATOM 2136 CE2 PHE A 132 7.446 9.032 -3.149 1.00 0.00 C ATOM 2137 CZ PHE A 132 6.723 8.272 -4.047 1.00 0.00 C ATOM 0 H PHE A 132 10.854 9.715 -7.749 1.00 0.00 H new ATOM 0 HA PHE A 132 10.309 11.437 -5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 132 11.263 8.545 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 132 11.287 9.590 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 132 9.055 7.918 -6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 132 9.310 9.984 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 132 6.739 7.282 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 132 6.994 9.346 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 132 5.706 7.989 -3.820 1.00 0.00 H new ATOM 2147 N LYS A 133 12.779 11.882 -5.072 1.00 0.00 N ATOM 2148 CA LYS A 133 14.155 12.362 -5.086 1.00 0.00 C ATOM 2149 C LYS A 133 15.128 11.235 -4.757 1.00 0.00 C ATOM 2150 O LYS A 133 14.784 10.294 -4.041 1.00 0.00 O ATOM 2151 CB LYS A 133 14.327 13.507 -4.085 1.00 0.00 C ATOM 2152 CG LYS A 133 14.520 13.040 -2.653 1.00 0.00 C ATOM 2153 CD LYS A 133 14.623 14.213 -1.692 1.00 0.00 C ATOM 2154 CE LYS A 133 13.555 15.258 -1.973 1.00 0.00 C ATOM 2155 NZ LYS A 133 13.514 16.307 -0.916 1.00 0.00 N ATOM 0 H LYS A 133 12.211 12.253 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 133 14.376 12.727 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 133 15.185 14.110 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.451 14.154 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.685 12.402 -2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 133 15.423 12.433 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 133 14.523 13.855 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.610 14.668 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 133 13.748 15.724 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 133 12.581 14.773 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 12.773 17.001 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.305 15.866 0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.435 16.787 -0.868 1.00 0.00 H new ATOM 2169 N SER A 134 16.345 11.337 -5.282 1.00 0.00 N ATOM 2170 CA SER A 134 17.367 10.324 -5.046 1.00 0.00 C ATOM 2171 C SER A 134 17.676 10.201 -3.557 1.00 0.00 C ATOM 2172 O SER A 134 18.077 9.140 -3.082 1.00 0.00 O ATOM 2173 CB SER A 134 18.644 10.668 -5.816 1.00 0.00 C ATOM 2174 OG SER A 134 19.044 12.005 -5.569 1.00 0.00 O ATOM 0 H SER A 134 16.647 12.111 -5.874 1.00 0.00 H new ATOM 0 HA SER A 134 16.984 9.367 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 134 19.443 9.986 -5.524 1.00 0.00 H new ATOM 0 HB3 SER A 134 18.478 10.526 -6.884 1.00 0.00 H new ATOM 0 HG SER A 134 19.863 12.199 -6.071 1.00 0.00 H new ATOM 2180 N GLU A 135 17.486 11.296 -2.827 1.00 0.00 N ATOM 2181 CA GLU A 135 17.744 11.311 -1.392 1.00 0.00 C ATOM 2182 C GLU A 135 16.710 10.476 -0.644 1.00 0.00 C ATOM 2183 O GLU A 135 16.915 10.105 0.512 1.00 0.00 O ATOM 2184 CB GLU A 135 17.735 12.747 -0.865 1.00 0.00 C ATOM 2185 CG GLU A 135 17.319 12.858 0.592 1.00 0.00 C ATOM 2186 CD GLU A 135 17.746 14.169 1.223 1.00 0.00 C ATOM 2187 OE1 GLU A 135 17.347 15.234 0.708 1.00 0.00 O ATOM 2188 OE2 GLU A 135 18.479 14.129 2.234 1.00 0.00 O ATOM 0 H GLU A 135 17.155 12.183 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 135 18.728 10.875 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 135 18.731 13.175 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 135 17.057 13.344 -1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 135 16.236 12.760 0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.753 12.031 1.154 1.00 0.00 H new ATOM 2195 N ILE A 136 15.598 10.185 -1.311 1.00 0.00 N ATOM 2196 CA ILE A 136 14.532 9.394 -0.710 1.00 0.00 C ATOM 2197 C ILE A 136 14.578 7.949 -1.196 1.00 0.00 C ATOM 2198 O ILE A 136 14.293 7.020 -0.439 1.00 0.00 O ATOM 2199 CB ILE A 136 13.145 9.985 -1.026 1.00 0.00 C ATOM 2200 CG1 ILE A 136 12.914 11.262 -0.215 1.00 0.00 C ATOM 2201 CG2 ILE A 136 12.055 8.964 -0.738 1.00 0.00 C ATOM 2202 CD1 ILE A 136 11.876 12.182 -0.819 1.00 0.00 C ATOM 0 H ILE A 136 15.412 10.485 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 136 14.692 9.418 0.368 1.00 0.00 H new ATOM 0 HB ILE A 136 13.107 10.238 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 136 12.604 10.991 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 136 13.857 11.801 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 136 11.081 9.397 -0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 136 12.213 8.080 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 136 12.089 8.683 0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 136 11.764 13.066 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 136 12.194 12.483 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 136 10.921 11.660 -0.884 1.00 0.00 H new ATOM 2214 N ILE A 137 14.941 7.768 -2.461 1.00 0.00 N ATOM 2215 CA ILE A 137 15.028 6.436 -3.047 1.00 0.00 C ATOM 2216 C ILE A 137 16.365 5.778 -2.721 1.00 0.00 C ATOM 2217 O ILE A 137 16.436 4.568 -2.508 1.00 0.00 O ATOM 2218 CB ILE A 137 14.849 6.480 -4.576 1.00 0.00 C ATOM 2219 CG1 ILE A 137 13.519 7.145 -4.937 1.00 0.00 C ATOM 2220 CG2 ILE A 137 14.921 5.077 -5.158 1.00 0.00 C ATOM 2221 CD1 ILE A 137 13.071 6.869 -6.355 1.00 0.00 C ATOM 0 H ILE A 137 15.180 8.527 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 137 14.220 5.847 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 137 15.658 7.072 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 137 12.750 6.798 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.611 8.222 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 137 14.793 5.125 -6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.891 4.636 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 137 14.131 4.463 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 137 12.122 7.371 -6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.821 7.241 -7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 137 12.947 5.795 -6.495 1.00 0.00 H new ATOM 2233 N GLN A 138 17.421 6.584 -2.684 1.00 0.00 N ATOM 2234 CA GLN A 138 18.755 6.081 -2.383 1.00 0.00 C ATOM 2235 C GLN A 138 18.703 5.023 -1.285 1.00 0.00 C ATOM 2236 O GLN A 138 19.207 3.910 -1.437 1.00 0.00 O ATOM 2237 CB GLN A 138 19.673 7.229 -1.959 1.00 0.00 C ATOM 2238 CG GLN A 138 20.850 6.783 -1.106 1.00 0.00 C ATOM 2239 CD GLN A 138 21.897 6.031 -1.904 1.00 0.00 C ATOM 2240 OE1 GLN A 138 22.863 6.618 -2.391 1.00 0.00 O ATOM 2241 NE2 GLN A 138 21.710 4.723 -2.041 1.00 0.00 N ATOM 0 H GLN A 138 17.378 7.588 -2.859 1.00 0.00 H new ATOM 0 HA GLN A 138 19.155 5.621 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 138 20.050 7.730 -2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 138 19.090 7.963 -1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 138 21.310 7.656 -0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 138 20.488 6.147 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 138 20.895 4.278 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 138 22.382 4.164 -2.567 1.00 0.00 H new ATOM 2250 N PRO A 139 18.080 5.377 -0.151 1.00 0.00 N ATOM 2251 CA PRO A 139 17.948 4.472 0.995 1.00 0.00 C ATOM 2252 C PRO A 139 16.992 3.318 0.714 1.00 0.00 C ATOM 2253 O PRO A 139 17.260 2.173 1.082 1.00 0.00 O ATOM 2254 CB PRO A 139 17.387 5.375 2.097 1.00 0.00 C ATOM 2255 CG PRO A 139 16.681 6.467 1.369 1.00 0.00 C ATOM 2256 CD PRO A 139 17.457 6.687 0.100 1.00 0.00 C ATOM 0 HA PRO A 139 18.896 4.000 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 139 16.705 4.828 2.748 1.00 0.00 H new ATOM 0 HB3 PRO A 139 18.183 5.770 2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 139 15.650 6.189 1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 139 16.647 7.377 1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 139 16.807 6.987 -0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 139 18.205 7.472 0.217 1.00 0.00 H new ATOM 2264 N LEU A 140 15.876 3.625 0.061 1.00 0.00 N ATOM 2265 CA LEU A 140 14.880 2.612 -0.269 1.00 0.00 C ATOM 2266 C LEU A 140 15.493 1.502 -1.117 1.00 0.00 C ATOM 2267 O LEU A 140 15.036 0.358 -1.085 1.00 0.00 O ATOM 2268 CB LEU A 140 13.705 3.248 -1.014 1.00 0.00 C ATOM 2269 CG LEU A 140 12.884 4.269 -0.226 1.00 0.00 C ATOM 2270 CD1 LEU A 140 11.826 4.904 -1.114 1.00 0.00 C ATOM 2271 CD2 LEU A 140 12.241 3.614 0.988 1.00 0.00 C ATOM 0 H LEU A 140 15.639 4.567 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 140 14.519 2.176 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.090 3.735 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 140 13.037 2.453 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 140 13.555 5.054 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.252 5.628 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 140 12.309 5.409 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 140 11.158 4.131 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.661 4.356 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 140 11.584 2.808 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 140 13.017 3.208 1.637 1.00 0.00 H new ATOM 2283 N LEU A 141 16.530 1.845 -1.872 1.00 0.00 N ATOM 2284 CA LEU A 141 17.208 0.877 -2.727 1.00 0.00 C ATOM 2285 C LEU A 141 18.083 -0.061 -1.901 1.00 0.00 C ATOM 2286 O LEU A 141 18.311 -1.209 -2.281 1.00 0.00 O ATOM 2287 CB LEU A 141 18.060 1.598 -3.773 1.00 0.00 C ATOM 2288 CG LEU A 141 17.301 2.214 -4.948 1.00 0.00 C ATOM 2289 CD1 LEU A 141 18.162 3.248 -5.657 1.00 0.00 C ATOM 2290 CD2 LEU A 141 16.855 1.132 -5.921 1.00 0.00 C ATOM 0 H LEU A 141 16.920 2.787 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 141 16.448 0.283 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 141 18.620 2.389 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 141 18.790 0.891 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 141 16.414 2.714 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 141 17.605 3.676 -6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 141 18.431 4.039 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 141 19.068 2.772 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 141 16.316 1.589 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 141 17.728 0.603 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 141 16.200 0.428 -5.407 1.00 0.00 H new ATOM 2302 N ASP A 142 18.568 0.436 -0.768 1.00 0.00 N ATOM 2303 CA ASP A 142 19.415 -0.358 0.114 1.00 0.00 C ATOM 2304 C ASP A 142 18.570 -1.219 1.048 1.00 0.00 C ATOM 2305 O ASP A 142 18.847 -2.403 1.237 1.00 0.00 O ATOM 2306 CB ASP A 142 20.333 0.553 0.931 1.00 0.00 C ATOM 2307 CG ASP A 142 21.653 -0.110 1.270 1.00 0.00 C ATOM 2308 OD1 ASP A 142 21.668 -1.346 1.452 1.00 0.00 O ATOM 2309 OD2 ASP A 142 22.672 0.607 1.353 1.00 0.00 O ATOM 0 H ASP A 142 18.389 1.385 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 142 20.026 -1.016 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 142 20.523 1.469 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.827 0.842 1.852 1.00 0.00 H new ATOM 2314 N MET A 143 17.539 -0.615 1.631 1.00 0.00 N ATOM 2315 CA MET A 143 16.654 -1.327 2.545 1.00 0.00 C ATOM 2316 C MET A 143 16.359 -2.733 2.032 1.00 0.00 C ATOM 2317 O MET A 143 16.311 -3.689 2.805 1.00 0.00 O ATOM 2318 CB MET A 143 15.347 -0.554 2.729 1.00 0.00 C ATOM 2319 CG MET A 143 15.545 0.860 3.251 1.00 0.00 C ATOM 2320 SD MET A 143 14.174 1.420 4.279 1.00 0.00 S ATOM 2321 CE MET A 143 12.778 1.001 3.238 1.00 0.00 C ATOM 0 H MET A 143 17.296 0.365 1.487 1.00 0.00 H new ATOM 0 HA MET A 143 17.158 -1.409 3.508 1.00 0.00 H new ATOM 0 HB2 MET A 143 14.823 -0.510 1.774 1.00 0.00 H new ATOM 0 HB3 MET A 143 14.705 -1.101 3.420 1.00 0.00 H new ATOM 0 HG2 MET A 143 16.468 0.904 3.829 1.00 0.00 H new ATOM 0 HG3 MET A 143 15.664 1.541 2.408 1.00 0.00 H new ATOM 0 HE1 MET A 143 11.970 1.712 3.410 1.00 0.00 H new ATOM 0 HE2 MET A 143 13.080 1.041 2.191 1.00 0.00 H new ATOM 0 HE3 MET A 143 12.434 -0.005 3.478 1.00 0.00 H new ATOM 2331 N ALA A 144 16.162 -2.851 0.723 1.00 0.00 N ATOM 2332 CA ALA A 144 15.873 -4.140 0.107 1.00 0.00 C ATOM 2333 C ALA A 144 16.992 -5.140 0.377 1.00 0.00 C ATOM 2334 O ALA A 144 16.738 -6.316 0.635 1.00 0.00 O ATOM 2335 CB ALA A 144 15.661 -3.974 -1.391 1.00 0.00 C ATOM 0 H ALA A 144 16.197 -2.069 0.069 1.00 0.00 H new ATOM 0 HA ALA A 144 14.957 -4.530 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 144 15.446 -4.945 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.823 -3.300 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.562 -3.558 -1.842 1.00 0.00 H new