USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 869 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 21 CYS SG : rot -47:sc= -1.25 USER MOD Set 1.2: A 23 GLN :FLIP amide:sc= 0.722 F(o=-0.1,f=1.5) USER MOD Set 1.3: A 125 SER OG : rot 69:sc= 1.99 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= -1.19 USER MOD Set 2.2: A 121 ASN : amide:sc= -2.69 K(o=-3.9,f=-6!) USER MOD Set 3.1: A 117 SER OG : rot -171:sc= -0.534 USER MOD Set 3.2: A 127 HIS :FLIP no HE2:sc= -10.8! C(o=-13!,f=-11!) USER MOD Set 4.1: A 94 CYS SG : rot 27:sc= -2.66! USER MOD Set 4.2: A 96 THR OG1 : rot 90:sc= -2.07 USER MOD Set 5.1: A 17 THR OG1 : rot -160:sc= 0.0028 USER MOD Set 5.2: A 47 HIS :FLIP no HD1:sc= -0.901 F(o=-3.9!,f=-1.9) USER MOD Set 5.3: A 48 ASN :FLIP amide:sc= 0 X(o=-2.2,f=-1.9) USER MOD Set 5.4: A 51 MET CE :methyl -150:sc= -1.05! (180deg=-3.76!) USER MOD Set 6.1: A 14 ASN : amide:sc= -1.15 K(o=-1.6,f=-2.8!) USER MOD Set 6.2: A 89 LYS NZ :NH3+ 151:sc= -0.428 (180deg=-1.44!) USER MOD Single : A 7 SER OG : rot 125:sc= -2.15 USER MOD Single : A 8 TYR OH : rot -164:sc= 0.299 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -145:sc= -3.23 USER MOD Single : A 38 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.31) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 53 MET CE :methyl 143:sc= -0.277 (180deg=-0.606) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 151:sc= -1.47! (180deg=-2.99!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -144:sc= -2.38 (180deg=-4.46!) USER MOD Single : A 72 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.11) USER MOD Single : A 79 CYS SG : rot 47:sc= -2.54 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 71:sc= 1.11 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.891 K(o=-0.89,f=-2.4!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.051) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 118 ASN : amide:sc= -2.32! C(o=-2.3!,f=-2.8!) USER MOD Single : A 120 THR OG1 : rot -172:sc= -0.96 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= -0.216 F(o=-1.5,f=-0.22) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.680 -8.500 -3.743 1.00 0.00 N ATOM 101 CA VAL A 6 3.069 -7.932 -2.548 1.00 0.00 C ATOM 102 C VAL A 6 3.121 -8.933 -1.395 1.00 0.00 C ATOM 103 O VAL A 6 3.028 -10.142 -1.609 1.00 0.00 O ATOM 104 CB VAL A 6 1.606 -7.480 -2.825 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.585 -8.324 -2.069 1.00 0.00 C ATOM 106 CG2 VAL A 6 1.431 -6.009 -2.491 1.00 0.00 C ATOM 0 HA VAL A 6 3.639 -7.048 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 6 1.421 -7.629 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.420 -7.969 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.679 -9.367 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.766 -8.241 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.402 -5.710 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.658 -5.846 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.107 -5.414 -3.105 1.00 0.00 H new ATOM 116 N SER A 7 3.276 -8.426 -0.177 1.00 0.00 N ATOM 117 CA SER A 7 3.347 -9.283 1.001 1.00 0.00 C ATOM 118 C SER A 7 1.962 -9.660 1.502 1.00 0.00 C ATOM 119 O SER A 7 1.619 -10.840 1.580 1.00 0.00 O ATOM 120 CB SER A 7 4.132 -8.592 2.118 1.00 0.00 C ATOM 121 OG SER A 7 4.700 -7.375 1.669 1.00 0.00 O ATOM 0 H SER A 7 3.355 -7.428 0.020 1.00 0.00 H new ATOM 0 HA SER A 7 3.863 -10.198 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.472 -8.398 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.921 -9.254 2.475 1.00 0.00 H new ATOM 0 HG SER A 7 4.407 -6.643 2.251 1.00 0.00 H new ATOM 127 N TYR A 8 1.173 -8.655 1.861 1.00 0.00 N ATOM 128 CA TYR A 8 -0.167 -8.896 2.376 1.00 0.00 C ATOM 129 C TYR A 8 -1.134 -7.789 1.973 1.00 0.00 C ATOM 130 O TYR A 8 -0.893 -6.617 2.244 1.00 0.00 O ATOM 131 CB TYR A 8 -0.122 -9.011 3.895 1.00 0.00 C ATOM 132 CG TYR A 8 1.040 -9.833 4.417 1.00 0.00 C ATOM 133 CD1 TYR A 8 0.980 -11.222 4.443 1.00 0.00 C ATOM 134 CD2 TYR A 8 2.194 -9.220 4.886 1.00 0.00 C ATOM 135 CE1 TYR A 8 2.038 -11.973 4.922 1.00 0.00 C ATOM 136 CE2 TYR A 8 3.255 -9.965 5.364 1.00 0.00 C ATOM 137 CZ TYR A 8 3.171 -11.340 5.381 1.00 0.00 C ATOM 138 OH TYR A 8 4.225 -12.086 5.860 1.00 0.00 O ATOM 0 H TYR A 8 1.437 -7.671 1.805 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.528 -9.829 1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.067 -8.010 4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.054 -9.456 4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.093 -11.722 4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.264 -8.142 4.877 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.976 -13.051 4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.146 -9.472 5.723 1.00 0.00 H new ATOM 0 HH TYR A 8 4.827 -11.509 6.376 1.00 0.00 H new ATOM 148 N VAL A 9 -2.240 -8.166 1.338 1.00 0.00 N ATOM 149 CA VAL A 9 -3.242 -7.179 0.927 1.00 0.00 C ATOM 150 C VAL A 9 -4.589 -7.470 1.576 1.00 0.00 C ATOM 151 O VAL A 9 -5.375 -8.264 1.060 1.00 0.00 O ATOM 152 CB VAL A 9 -3.429 -7.119 -0.601 1.00 0.00 C ATOM 153 CG1 VAL A 9 -4.038 -5.786 -1.007 1.00 0.00 C ATOM 154 CG2 VAL A 9 -2.108 -7.340 -1.313 1.00 0.00 C ATOM 0 H VAL A 9 -2.466 -9.131 1.098 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.865 -6.212 1.261 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.111 -7.917 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.164 -5.758 -2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.009 -5.668 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.378 -4.975 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.263 -7.294 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.400 -6.567 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.710 -8.319 -1.046 1.00 0.00 H new ATOM 164 N GLU A 10 -4.847 -6.836 2.715 1.00 0.00 N ATOM 165 CA GLU A 10 -6.095 -7.045 3.439 1.00 0.00 C ATOM 166 C GLU A 10 -7.091 -5.915 3.201 1.00 0.00 C ATOM 167 O GLU A 10 -6.850 -4.771 3.585 1.00 0.00 O ATOM 168 CB GLU A 10 -5.811 -7.165 4.938 1.00 0.00 C ATOM 169 CG GLU A 10 -6.693 -8.177 5.648 1.00 0.00 C ATOM 170 CD GLU A 10 -5.910 -9.083 6.579 1.00 0.00 C ATOM 171 OE1 GLU A 10 -5.109 -8.559 7.383 1.00 0.00 O ATOM 172 OE2 GLU A 10 -6.098 -10.314 6.508 1.00 0.00 O ATOM 0 H GLU A 10 -4.209 -6.174 3.156 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.540 -7.967 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.767 -7.444 5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.946 -6.189 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.458 -7.650 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.211 -8.785 4.906 1.00 0.00 H new ATOM 179 N VAL A 11 -8.227 -6.248 2.596 1.00 0.00 N ATOM 180 CA VAL A 11 -9.268 -5.259 2.348 1.00 0.00 C ATOM 181 C VAL A 11 -10.205 -5.210 3.547 1.00 0.00 C ATOM 182 O VAL A 11 -10.560 -6.246 4.104 1.00 0.00 O ATOM 183 CB VAL A 11 -10.067 -5.561 1.066 1.00 0.00 C ATOM 184 CG1 VAL A 11 -11.164 -4.528 0.858 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.138 -5.599 -0.136 1.00 0.00 C ATOM 0 H VAL A 11 -8.449 -7.189 2.271 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.786 -4.292 2.204 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.537 -6.538 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.715 -4.761 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.845 -4.544 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.719 -3.537 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.715 -5.813 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.643 -4.634 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.388 -6.377 0.008 1.00 0.00 H new ATOM 195 N ILE A 12 -10.566 -4.004 3.965 1.00 0.00 N ATOM 196 CA ILE A 12 -11.422 -3.834 5.132 1.00 0.00 C ATOM 197 C ILE A 12 -12.783 -3.242 4.779 1.00 0.00 C ATOM 198 O ILE A 12 -12.871 -2.127 4.288 1.00 0.00 O ATOM 199 CB ILE A 12 -10.737 -2.915 6.162 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.488 -3.587 6.730 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.692 -2.542 7.277 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.376 -3.745 5.720 1.00 0.00 C ATOM 0 H ILE A 12 -10.281 -3.133 3.516 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.582 -4.828 5.549 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.438 -1.999 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.122 -3.001 7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.758 -4.569 7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.183 -1.893 7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.552 -2.018 6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.029 -3.446 7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.521 -4.229 6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.725 -4.356 4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.078 -2.764 5.350 1.00 0.00 H new ATOM 214 N LYS A 13 -13.843 -3.989 5.060 1.00 0.00 N ATOM 215 CA LYS A 13 -15.193 -3.504 4.788 1.00 0.00 C ATOM 216 C LYS A 13 -15.896 -3.080 6.079 1.00 0.00 C ATOM 217 O LYS A 13 -16.292 -3.920 6.886 1.00 0.00 O ATOM 218 CB LYS A 13 -16.022 -4.581 4.080 1.00 0.00 C ATOM 219 CG LYS A 13 -17.478 -4.194 3.872 1.00 0.00 C ATOM 220 CD LYS A 13 -17.966 -4.575 2.483 1.00 0.00 C ATOM 221 CE LYS A 13 -18.879 -3.507 1.900 1.00 0.00 C ATOM 222 NZ LYS A 13 -19.916 -4.090 1.005 1.00 0.00 N ATOM 0 H LYS A 13 -13.798 -4.921 5.471 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.106 -2.635 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.571 -4.796 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.980 -5.501 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.096 -4.686 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.594 -3.120 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.111 -4.723 1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.499 -5.524 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.364 -2.962 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.283 -2.785 1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.517 -3.329 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.454 -4.588 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.502 -4.760 1.543 1.00 0.00 H new ATOM 236 N ASN A 14 -16.060 -1.771 6.256 1.00 0.00 N ATOM 237 CA ASN A 14 -16.732 -1.230 7.436 1.00 0.00 C ATOM 238 C ASN A 14 -15.987 -1.584 8.719 1.00 0.00 C ATOM 239 O ASN A 14 -16.605 -1.873 9.742 1.00 0.00 O ATOM 240 CB ASN A 14 -18.166 -1.754 7.510 1.00 0.00 C ATOM 241 CG ASN A 14 -19.144 -0.704 8.001 1.00 0.00 C ATOM 242 OD1 ASN A 14 -18.818 0.108 8.865 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.354 -0.720 7.454 1.00 0.00 N ATOM 0 H ASN A 14 -15.736 -1.064 5.596 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.744 -0.144 7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.474 -2.100 6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.200 -2.617 8.175 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -21.056 -0.040 7.748 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.582 -1.412 6.740 1.00 0.00 H new ATOM 250 N GLY A 15 -14.659 -1.572 8.658 1.00 0.00 N ATOM 251 CA GLY A 15 -13.869 -1.906 9.824 1.00 0.00 C ATOM 252 C GLY A 15 -13.812 -3.397 10.049 1.00 0.00 C ATOM 253 O GLY A 15 -13.623 -3.862 11.174 1.00 0.00 O ATOM 0 H GLY A 15 -14.120 -1.338 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.858 -1.517 9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.294 -1.421 10.703 1.00 0.00 H new ATOM 257 N GLU A 16 -13.971 -4.150 8.966 1.00 0.00 N ATOM 258 CA GLU A 16 -13.935 -5.600 9.032 1.00 0.00 C ATOM 259 C GLU A 16 -13.380 -6.166 7.734 1.00 0.00 C ATOM 260 O GLU A 16 -13.970 -5.997 6.667 1.00 0.00 O ATOM 261 CB GLU A 16 -15.330 -6.164 9.301 1.00 0.00 C ATOM 262 CG GLU A 16 -15.797 -5.971 10.735 1.00 0.00 C ATOM 263 CD GLU A 16 -14.957 -6.744 11.730 1.00 0.00 C ATOM 264 OE1 GLU A 16 -14.248 -6.102 12.533 1.00 0.00 O ATOM 265 OE2 GLU A 16 -15.007 -7.992 11.707 1.00 0.00 O ATOM 0 H GLU A 16 -14.126 -3.775 8.030 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.283 -5.893 9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.042 -5.686 8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.334 -7.228 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.764 -4.910 10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.837 -6.287 10.820 1.00 0.00 H new ATOM 272 N THR A 17 -12.232 -6.822 7.829 1.00 0.00 N ATOM 273 CA THR A 17 -11.579 -7.395 6.661 1.00 0.00 C ATOM 274 C THR A 17 -12.550 -8.181 5.785 1.00 0.00 C ATOM 275 O THR A 17 -13.244 -9.083 6.259 1.00 0.00 O ATOM 276 CB THR A 17 -10.431 -8.308 7.085 1.00 0.00 C ATOM 277 OG1 THR A 17 -9.569 -7.647 7.994 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.595 -8.792 5.922 1.00 0.00 C ATOM 0 H THR A 17 -11.733 -6.971 8.706 1.00 0.00 H new ATOM 0 HA THR A 17 -11.193 -6.561 6.075 1.00 0.00 H new ATOM 0 HB THR A 17 -10.905 -9.170 7.554 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.700 -8.100 8.009 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.797 -9.436 6.291 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.224 -9.353 5.231 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.161 -7.936 5.405 1.00 0.00 H new ATOM 286 N ILE A 18 -12.567 -7.854 4.498 1.00 0.00 N ATOM 287 CA ILE A 18 -13.419 -8.549 3.538 1.00 0.00 C ATOM 288 C ILE A 18 -12.587 -9.570 2.779 1.00 0.00 C ATOM 289 O ILE A 18 -13.015 -10.700 2.544 1.00 0.00 O ATOM 290 CB ILE A 18 -14.072 -7.602 2.499 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.535 -6.175 2.607 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.584 -7.609 2.648 1.00 0.00 C ATOM 293 CD1 ILE A 18 -13.970 -5.291 1.457 1.00 0.00 C ATOM 0 H ILE A 18 -11.999 -7.110 4.093 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.218 -9.016 4.114 1.00 0.00 H new ATOM 0 HB ILE A 18 -13.810 -7.977 1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.874 -5.735 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.446 -6.204 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.025 -6.939 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.960 -8.620 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.852 -7.274 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.557 -4.291 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.608 -5.711 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.058 -5.234 1.433 1.00 0.00 H new ATOM 305 N SER A 19 -11.391 -9.142 2.407 1.00 0.00 N ATOM 306 CA SER A 19 -10.458 -9.988 1.670 1.00 0.00 C ATOM 307 C SER A 19 -9.065 -9.920 2.290 1.00 0.00 C ATOM 308 O SER A 19 -8.840 -9.175 3.244 1.00 0.00 O ATOM 309 CB SER A 19 -10.395 -9.561 0.205 1.00 0.00 C ATOM 310 OG SER A 19 -9.818 -8.278 0.075 1.00 0.00 O ATOM 0 H SER A 19 -11.039 -8.205 2.604 1.00 0.00 H new ATOM 0 HA SER A 19 -10.816 -11.016 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.812 -10.285 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.399 -9.557 -0.220 1.00 0.00 H new ATOM 0 HG SER A 19 -10.247 -7.800 -0.665 1.00 0.00 H new ATOM 316 N SER A 20 -8.132 -10.696 1.744 1.00 0.00 N ATOM 317 CA SER A 20 -6.765 -10.713 2.258 1.00 0.00 C ATOM 318 C SER A 20 -5.830 -11.478 1.328 1.00 0.00 C ATOM 319 O SER A 20 -6.075 -12.637 0.994 1.00 0.00 O ATOM 320 CB SER A 20 -6.724 -11.332 3.658 1.00 0.00 C ATOM 321 OG SER A 20 -8.023 -11.465 4.207 1.00 0.00 O ATOM 0 H SER A 20 -8.295 -11.317 0.952 1.00 0.00 H new ATOM 0 HA SER A 20 -6.423 -9.679 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.247 -12.311 3.610 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.113 -10.711 4.313 1.00 0.00 H new ATOM 0 HG SER A 20 -7.961 -11.864 5.100 1.00 0.00 H new ATOM 327 N CYS A 21 -4.749 -10.820 0.925 1.00 0.00 N ATOM 328 CA CYS A 21 -3.757 -11.430 0.047 1.00 0.00 C ATOM 329 C CYS A 21 -2.492 -11.735 0.832 1.00 0.00 C ATOM 330 O CYS A 21 -1.460 -11.091 0.642 1.00 0.00 O ATOM 331 CB CYS A 21 -3.433 -10.498 -1.124 1.00 0.00 C ATOM 332 SG CYS A 21 -2.094 -11.077 -2.195 1.00 0.00 S ATOM 0 H CYS A 21 -4.537 -9.859 1.194 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.166 -12.359 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.332 -10.366 -1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.167 -9.518 -0.729 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.089 -11.459 -1.465 1.00 0.00 H new ATOM 338 N PHE A 22 -2.581 -12.711 1.724 1.00 0.00 N ATOM 339 CA PHE A 22 -1.448 -13.094 2.552 1.00 0.00 C ATOM 340 C PHE A 22 -0.866 -14.416 2.078 1.00 0.00 C ATOM 341 O PHE A 22 -1.216 -15.483 2.584 1.00 0.00 O ATOM 342 CB PHE A 22 -1.880 -13.176 4.019 1.00 0.00 C ATOM 343 CG PHE A 22 -2.332 -11.847 4.562 1.00 0.00 C ATOM 344 CD1 PHE A 22 -3.364 -11.155 3.949 1.00 0.00 C ATOM 345 CD2 PHE A 22 -1.710 -11.277 5.663 1.00 0.00 C ATOM 346 CE1 PHE A 22 -3.766 -9.923 4.417 1.00 0.00 C ATOM 347 CE2 PHE A 22 -2.115 -10.044 6.140 1.00 0.00 C ATOM 348 CZ PHE A 22 -3.140 -9.369 5.513 1.00 0.00 C ATOM 0 H PHE A 22 -3.429 -13.253 1.893 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.669 -12.336 2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.690 -13.899 4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.049 -13.546 4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.860 -11.587 3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.902 -11.801 6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.569 -9.393 3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.629 -9.611 7.002 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.454 -8.403 5.881 1.00 0.00 H new ATOM 358 N GLN A 23 0.015 -14.334 1.086 1.00 0.00 N ATOM 359 CA GLN A 23 0.642 -15.525 0.523 1.00 0.00 C ATOM 360 C GLN A 23 2.098 -15.657 0.969 1.00 0.00 C ATOM 361 O GLN A 23 2.811 -14.662 1.090 1.00 0.00 O ATOM 362 CB GLN A 23 0.567 -15.489 -1.006 1.00 0.00 C ATOM 363 CG GLN A 23 -0.606 -16.269 -1.575 1.00 0.00 C ATOM 364 CD GLN A 23 -1.660 -15.372 -2.192 1.00 0.00 C ATOM 365 OE1 GLN A 23 -2.092 -14.366 -1.444 1.00 0.00 O flip ATOM 366 NE2 GLN A 23 -2.082 -15.581 -3.331 1.00 0.00 N flip ATOM 0 H GLN A 23 0.310 -13.457 0.656 1.00 0.00 H new ATOM 0 HA GLN A 23 0.096 -16.393 0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.496 -14.452 -1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.493 -15.891 -1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.242 -16.967 -2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.060 -16.864 -0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.722 -16.367 -3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.791 -14.968 -3.733 1.00 0.00 H new ATOM 587 N ASN A 38 10.036 -13.796 9.024 1.00 0.00 N ATOM 588 CA ASN A 38 8.945 -12.863 8.755 1.00 0.00 C ATOM 589 C ASN A 38 7.827 -13.535 7.966 1.00 0.00 C ATOM 590 O ASN A 38 7.149 -12.891 7.165 1.00 0.00 O ATOM 591 CB ASN A 38 9.465 -11.645 7.990 1.00 0.00 C ATOM 592 CG ASN A 38 10.591 -10.939 8.722 1.00 0.00 C ATOM 593 OD1 ASN A 38 11.709 -11.449 8.801 1.00 0.00 O ATOM 594 ND2 ASN A 38 10.300 -9.761 9.259 1.00 0.00 N ATOM 0 HA ASN A 38 8.539 -12.538 9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.815 -11.959 7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.646 -10.945 7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.017 -9.239 9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.359 -9.378 9.168 1.00 0.00 H new ATOM 601 N GLU A 39 7.634 -14.829 8.198 1.00 0.00 N ATOM 602 CA GLU A 39 6.589 -15.578 7.507 1.00 0.00 C ATOM 603 C GLU A 39 5.764 -16.397 8.494 1.00 0.00 C ATOM 604 O GLU A 39 5.187 -17.425 8.138 1.00 0.00 O ATOM 605 CB GLU A 39 7.200 -16.488 6.439 1.00 0.00 C ATOM 606 CG GLU A 39 6.169 -17.165 5.552 1.00 0.00 C ATOM 607 CD GLU A 39 6.755 -17.648 4.241 1.00 0.00 C ATOM 608 OE1 GLU A 39 6.975 -18.869 4.102 1.00 0.00 O ATOM 609 OE2 GLU A 39 6.996 -16.804 3.351 1.00 0.00 O ATOM 0 H GLU A 39 8.185 -15.380 8.856 1.00 0.00 H new ATOM 0 HA GLU A 39 5.926 -14.864 7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.873 -15.900 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.804 -17.252 6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.736 -18.011 6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.357 -16.467 5.348 1.00 0.00 H new ATOM 616 N GLN A 40 5.699 -15.920 9.732 1.00 0.00 N ATOM 617 CA GLN A 40 4.930 -16.588 10.776 1.00 0.00 C ATOM 618 C GLN A 40 3.704 -15.754 11.128 1.00 0.00 C ATOM 619 O GLN A 40 2.627 -16.287 11.397 1.00 0.00 O ATOM 620 CB GLN A 40 5.794 -16.804 12.021 1.00 0.00 C ATOM 621 CG GLN A 40 6.263 -15.510 12.668 1.00 0.00 C ATOM 622 CD GLN A 40 7.275 -15.746 13.771 1.00 0.00 C ATOM 623 OE1 GLN A 40 6.934 -16.226 14.851 1.00 0.00 O ATOM 624 NE2 GLN A 40 8.531 -15.405 13.504 1.00 0.00 N ATOM 0 H GLN A 40 6.172 -15.070 10.038 1.00 0.00 H new ATOM 0 HA GLN A 40 4.607 -17.561 10.406 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.227 -17.381 12.751 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.665 -17.401 11.750 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.704 -14.866 11.907 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.403 -14.979 13.076 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.770 -15.010 12.594 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.256 -15.538 14.209 1.00 0.00 H new ATOM 633 N ILE A 41 3.883 -14.439 11.104 1.00 0.00 N ATOM 634 CA ILE A 41 2.811 -13.497 11.395 1.00 0.00 C ATOM 635 C ILE A 41 1.568 -13.816 10.562 1.00 0.00 C ATOM 636 O ILE A 41 1.602 -13.747 9.332 1.00 0.00 O ATOM 637 CB ILE A 41 3.287 -12.061 11.113 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.512 -11.735 11.985 1.00 0.00 C ATOM 639 CG2 ILE A 41 2.164 -11.054 11.328 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.421 -10.422 12.742 1.00 0.00 C ATOM 0 H ILE A 41 4.775 -13.996 10.882 1.00 0.00 H new ATOM 0 HA ILE A 41 2.546 -13.585 12.449 1.00 0.00 H new ATOM 0 HB ILE A 41 3.581 -11.990 10.066 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.656 -12.543 12.702 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.397 -11.712 11.350 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.532 -10.049 11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.336 -11.283 10.657 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.819 -11.108 12.361 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.328 -10.277 13.329 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.311 -9.601 12.034 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.558 -10.445 13.408 1.00 0.00 H new ATOM 652 N THR A 42 0.477 -14.172 11.236 1.00 0.00 N ATOM 653 CA THR A 42 -0.767 -14.509 10.557 1.00 0.00 C ATOM 654 C THR A 42 -1.498 -13.251 10.125 1.00 0.00 C ATOM 655 O THR A 42 -1.406 -12.218 10.789 1.00 0.00 O ATOM 656 CB THR A 42 -1.681 -15.324 11.482 1.00 0.00 C ATOM 657 OG1 THR A 42 -2.963 -15.489 10.900 1.00 0.00 O ATOM 658 CG2 THR A 42 -1.881 -14.691 12.841 1.00 0.00 C ATOM 0 H THR A 42 0.431 -14.234 12.253 1.00 0.00 H new ATOM 0 HA THR A 42 -0.517 -15.102 9.678 1.00 0.00 H new ATOM 0 HB THR A 42 -1.175 -16.280 11.614 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.531 -16.012 11.503 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.537 -15.320 13.442 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.918 -14.590 13.341 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.333 -13.706 12.721 1.00 0.00 H new ATOM 666 N PRO A 43 -2.261 -13.318 9.018 1.00 0.00 N ATOM 667 CA PRO A 43 -3.029 -12.175 8.538 1.00 0.00 C ATOM 668 C PRO A 43 -3.766 -11.487 9.686 1.00 0.00 C ATOM 669 O PRO A 43 -4.100 -10.311 9.608 1.00 0.00 O ATOM 670 CB PRO A 43 -4.023 -12.775 7.534 1.00 0.00 C ATOM 671 CG PRO A 43 -3.792 -14.255 7.535 1.00 0.00 C ATOM 672 CD PRO A 43 -2.453 -14.499 8.174 1.00 0.00 C ATOM 0 HA PRO A 43 -2.393 -11.412 8.089 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.049 -12.543 7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.867 -12.359 6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.580 -14.766 8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.810 -14.647 6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.449 -15.418 8.761 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.663 -14.593 7.429 1.00 0.00 H new ATOM 680 N VAL A 44 -3.987 -12.245 10.762 1.00 0.00 N ATOM 681 CA VAL A 44 -4.649 -11.749 11.956 1.00 0.00 C ATOM 682 C VAL A 44 -3.821 -10.660 12.623 1.00 0.00 C ATOM 683 O VAL A 44 -4.348 -9.612 12.974 1.00 0.00 O ATOM 684 CB VAL A 44 -4.851 -12.893 12.950 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.509 -12.412 14.228 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.649 -14.021 12.316 1.00 0.00 C ATOM 0 H VAL A 44 -3.708 -13.224 10.823 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.612 -11.334 11.660 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.867 -13.278 13.217 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.636 -13.252 14.910 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.881 -11.655 14.698 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.483 -11.982 13.996 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.781 -14.825 13.040 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.625 -13.647 12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.114 -14.401 11.446 1.00 0.00 H new ATOM 696 N ILE A 45 -2.520 -10.903 12.794 1.00 0.00 N ATOM 697 CA ILE A 45 -1.655 -9.905 13.412 1.00 0.00 C ATOM 698 C ILE A 45 -1.711 -8.617 12.602 1.00 0.00 C ATOM 699 O ILE A 45 -1.637 -7.518 13.149 1.00 0.00 O ATOM 700 CB ILE A 45 -0.202 -10.406 13.533 1.00 0.00 C ATOM 701 CG1 ILE A 45 -0.097 -11.430 14.663 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.768 -9.255 13.767 1.00 0.00 C ATOM 703 CD1 ILE A 45 0.108 -12.841 14.172 1.00 0.00 C ATOM 0 H ILE A 45 -2.052 -11.766 12.518 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.015 -9.717 14.423 1.00 0.00 H new ATOM 0 HB ILE A 45 0.072 -10.881 12.591 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.731 -11.156 15.316 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.005 -11.390 15.265 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.783 -9.645 13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.713 -8.557 12.932 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.504 -8.738 14.690 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.174 -13.517 15.025 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.732 -13.133 13.542 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.031 -12.895 13.594 1.00 0.00 H new ATOM 715 N PHE A 46 -1.883 -8.776 11.297 1.00 0.00 N ATOM 716 CA PHE A 46 -1.998 -7.646 10.401 1.00 0.00 C ATOM 717 C PHE A 46 -3.417 -7.105 10.453 1.00 0.00 C ATOM 718 O PHE A 46 -3.633 -5.897 10.511 1.00 0.00 O ATOM 719 CB PHE A 46 -1.674 -8.055 8.965 1.00 0.00 C ATOM 720 CG PHE A 46 -0.300 -8.625 8.781 1.00 0.00 C ATOM 721 CD1 PHE A 46 0.782 -7.791 8.576 1.00 0.00 C ATOM 722 CD2 PHE A 46 -0.095 -9.995 8.797 1.00 0.00 C ATOM 723 CE1 PHE A 46 2.045 -8.308 8.389 1.00 0.00 C ATOM 724 CE2 PHE A 46 1.168 -10.520 8.613 1.00 0.00 C ATOM 725 CZ PHE A 46 2.240 -9.677 8.407 1.00 0.00 C ATOM 0 H PHE A 46 -1.946 -9.685 10.838 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.289 -6.881 10.717 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.407 -8.791 8.635 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.783 -7.184 8.318 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.636 -6.721 8.562 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.932 -10.659 8.955 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.882 -7.645 8.228 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.317 -11.590 8.630 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.229 -10.085 8.260 1.00 0.00 H new ATOM 735 N HIS A 47 -4.383 -8.023 10.445 1.00 0.00 N ATOM 736 CA HIS A 47 -5.789 -7.647 10.495 1.00 0.00 C ATOM 737 C HIS A 47 -6.092 -6.932 11.804 1.00 0.00 C ATOM 738 O HIS A 47 -6.981 -6.090 11.868 1.00 0.00 O ATOM 739 CB HIS A 47 -6.679 -8.891 10.311 1.00 0.00 C ATOM 740 CG HIS A 47 -7.738 -9.073 11.356 1.00 0.00 C ATOM 741 ND1 HIS A 47 -7.641 -9.158 12.702 1.00 0.00 N flip ATOM 742 CD2 HIS A 47 -9.078 -9.205 11.061 1.00 0.00 C flip ATOM 743 CE1 HIS A 47 -8.910 -9.338 13.193 1.00 0.00 C flip ATOM 744 NE2 HIS A 47 -9.760 -9.361 12.182 1.00 0.00 N flip ATOM 0 H HIS A 47 -4.215 -9.028 10.404 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.007 -6.958 9.679 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.160 -8.834 9.334 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.043 -9.776 10.302 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.504 -9.184 10.069 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.171 -9.444 14.236 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.771 -9.479 12.254 1.00 0.00 H new ATOM 753 N ASN A 48 -5.328 -7.260 12.839 1.00 0.00 N ATOM 754 CA ASN A 48 -5.501 -6.637 14.142 1.00 0.00 C ATOM 755 C ASN A 48 -4.667 -5.371 14.202 1.00 0.00 C ATOM 756 O ASN A 48 -5.042 -4.396 14.850 1.00 0.00 O ATOM 757 CB ASN A 48 -5.104 -7.597 15.263 1.00 0.00 C ATOM 758 CG ASN A 48 -6.125 -7.631 16.384 1.00 0.00 C ATOM 759 OD1 ASN A 48 -7.272 -8.244 16.122 1.00 0.00 O flip ATOM 760 ND2 ASN A 48 -5.883 -7.111 17.473 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.582 -7.955 12.799 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.552 -6.386 14.281 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.985 -8.600 14.853 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.136 -7.300 15.666 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.987 -6.650 17.630 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.579 -7.141 18.218 1.00 0.00 H new ATOM 767 N LEU A 49 -3.551 -5.380 13.480 1.00 0.00 N ATOM 768 CA LEU A 49 -2.688 -4.217 13.401 1.00 0.00 C ATOM 769 C LEU A 49 -3.494 -3.098 12.779 1.00 0.00 C ATOM 770 O LEU A 49 -3.766 -2.071 13.394 1.00 0.00 O ATOM 771 CB LEU A 49 -1.478 -4.524 12.520 1.00 0.00 C ATOM 772 CG LEU A 49 -0.189 -4.831 13.268 1.00 0.00 C ATOM 773 CD1 LEU A 49 0.988 -4.809 12.311 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.009 -3.829 14.390 1.00 0.00 C ATOM 0 H LEU A 49 -3.227 -6.184 12.942 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.331 -3.938 14.392 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.720 -5.374 11.883 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.303 -3.673 11.862 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.256 -5.828 13.703 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.905 -5.030 12.857 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.839 -5.558 11.534 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.067 -3.823 11.854 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.934 -4.055 14.921 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.066 -2.823 13.974 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.831 -3.888 15.083 1.00 0.00 H new ATOM 786 N ILE A 50 -3.905 -3.365 11.556 1.00 0.00 N ATOM 787 CA ILE A 50 -4.741 -2.457 10.787 1.00 0.00 C ATOM 788 C ILE A 50 -5.939 -2.020 11.621 1.00 0.00 C ATOM 789 O ILE A 50 -6.137 -0.840 11.905 1.00 0.00 O ATOM 790 CB ILE A 50 -5.298 -3.169 9.537 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.196 -3.853 8.739 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.077 -2.208 8.652 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.653 -5.171 8.157 1.00 0.00 C ATOM 0 H ILE A 50 -3.668 -4.225 11.061 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.128 -1.602 10.502 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.983 -3.940 9.891 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.870 -3.195 7.934 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.333 -4.021 9.383 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.456 -2.742 7.780 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.913 -1.792 9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.421 -1.400 8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.836 -5.624 7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.954 -5.840 8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.499 -5.001 7.491 1.00 0.00 H new ATOM 805 N MET A 51 -6.736 -3.014 11.984 1.00 0.00 N ATOM 806 CA MET A 51 -7.947 -2.833 12.764 1.00 0.00 C ATOM 807 C MET A 51 -7.721 -2.024 14.044 1.00 0.00 C ATOM 808 O MET A 51 -8.536 -1.172 14.398 1.00 0.00 O ATOM 809 CB MET A 51 -8.506 -4.217 13.102 1.00 0.00 C ATOM 810 CG MET A 51 -9.971 -4.207 13.513 1.00 0.00 C ATOM 811 SD MET A 51 -10.945 -5.470 12.663 1.00 0.00 S ATOM 812 CE MET A 51 -10.202 -5.449 11.033 1.00 0.00 C ATOM 0 H MET A 51 -6.554 -3.987 11.739 1.00 0.00 H new ATOM 0 HA MET A 51 -8.655 -2.258 12.167 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.386 -4.868 12.236 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.915 -4.649 13.910 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.043 -4.363 14.589 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.396 -3.225 13.304 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.950 -5.722 10.289 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.824 -4.449 10.818 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.379 -6.163 10.999 1.00 0.00 H new ATOM 822 N ASP A 52 -6.639 -2.319 14.753 1.00 0.00 N ATOM 823 CA ASP A 52 -6.340 -1.643 16.016 1.00 0.00 C ATOM 824 C ASP A 52 -5.474 -0.391 15.852 1.00 0.00 C ATOM 825 O ASP A 52 -5.418 0.445 16.754 1.00 0.00 O ATOM 826 CB ASP A 52 -5.652 -2.615 16.975 1.00 0.00 C ATOM 827 CG ASP A 52 -6.506 -3.830 17.279 1.00 0.00 C ATOM 828 OD1 ASP A 52 -6.608 -4.203 18.466 1.00 0.00 O ATOM 829 OD2 ASP A 52 -7.075 -4.408 16.328 1.00 0.00 O ATOM 0 H ASP A 52 -5.952 -3.021 14.478 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.297 -1.313 16.420 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.705 -2.939 16.542 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.417 -2.098 17.905 1.00 0.00 H new ATOM 834 N MET A 53 -4.772 -0.267 14.730 1.00 0.00 N ATOM 835 CA MET A 53 -3.890 0.883 14.519 1.00 0.00 C ATOM 836 C MET A 53 -4.307 1.729 13.316 1.00 0.00 C ATOM 837 O MET A 53 -4.681 2.890 13.464 1.00 0.00 O ATOM 838 CB MET A 53 -2.448 0.411 14.337 1.00 0.00 C ATOM 839 CG MET A 53 -1.848 -0.208 15.588 1.00 0.00 C ATOM 840 SD MET A 53 -1.503 1.013 16.870 1.00 0.00 S ATOM 841 CE MET A 53 0.043 1.696 16.277 1.00 0.00 C ATOM 0 H MET A 53 -4.793 -0.937 13.961 1.00 0.00 H new ATOM 0 HA MET A 53 -3.970 1.512 15.406 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.413 -0.319 13.528 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.834 1.257 14.030 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.533 -0.959 15.982 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.925 -0.725 15.326 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.070 2.767 16.480 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.875 1.209 16.786 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.127 1.529 15.203 1.00 0.00 H new ATOM 851 N VAL A 54 -4.211 1.149 12.126 1.00 0.00 N ATOM 852 CA VAL A 54 -4.555 1.863 10.904 1.00 0.00 C ATOM 853 C VAL A 54 -5.998 2.360 10.925 1.00 0.00 C ATOM 854 O VAL A 54 -6.254 3.554 10.781 1.00 0.00 O ATOM 855 CB VAL A 54 -4.344 0.972 9.664 1.00 0.00 C ATOM 856 CG1 VAL A 54 -4.778 1.693 8.398 1.00 0.00 C ATOM 857 CG2 VAL A 54 -2.890 0.536 9.565 1.00 0.00 C ATOM 0 H VAL A 54 -3.899 0.189 11.982 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.891 2.725 10.848 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.964 0.082 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.619 1.044 7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.835 1.949 8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.191 2.604 8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.758 -0.092 8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.251 1.415 9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.618 -0.028 10.457 1.00 0.00 H new ATOM 867 N LEU A 55 -6.935 1.435 11.092 1.00 0.00 N ATOM 868 CA LEU A 55 -8.358 1.771 11.119 1.00 0.00 C ATOM 869 C LEU A 55 -8.635 2.997 11.982 1.00 0.00 C ATOM 870 O LEU A 55 -9.192 3.984 11.501 1.00 0.00 O ATOM 871 CB LEU A 55 -9.171 0.581 11.607 1.00 0.00 C ATOM 872 CG LEU A 55 -9.589 -0.385 10.502 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.800 0.141 9.754 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.440 -0.633 9.542 1.00 0.00 C ATOM 0 H LEU A 55 -6.737 0.442 11.211 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.660 2.015 10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.588 0.036 12.349 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.065 0.948 12.111 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.859 -1.333 10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.079 -0.565 8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.632 0.261 10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.560 1.105 9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.760 -1.324 8.762 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.135 0.310 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.598 -1.063 10.085 1.00 0.00 H new ATOM 886 N PRO A 56 -8.245 2.962 13.266 1.00 0.00 N ATOM 887 CA PRO A 56 -8.455 4.092 14.170 1.00 0.00 C ATOM 888 C PRO A 56 -7.639 5.321 13.767 1.00 0.00 C ATOM 889 O PRO A 56 -7.647 6.333 14.468 1.00 0.00 O ATOM 890 CB PRO A 56 -7.996 3.562 15.533 1.00 0.00 C ATOM 891 CG PRO A 56 -7.080 2.430 15.223 1.00 0.00 C ATOM 892 CD PRO A 56 -7.570 1.835 13.932 1.00 0.00 C ATOM 0 HA PRO A 56 -9.492 4.426 14.162 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.485 4.337 16.105 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.844 3.230 16.132 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.051 2.777 15.126 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.092 1.689 16.022 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.747 1.449 13.331 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.254 1.005 14.107 1.00 0.00 H new ATOM 900 N LYS A 57 -6.943 5.237 12.628 1.00 0.00 N ATOM 901 CA LYS A 57 -6.144 6.351 12.142 1.00 0.00 C ATOM 902 C LYS A 57 -6.166 6.385 10.617 1.00 0.00 C ATOM 903 O LYS A 57 -5.265 6.929 9.980 1.00 0.00 O ATOM 904 CB LYS A 57 -4.704 6.239 12.647 1.00 0.00 C ATOM 905 CG LYS A 57 -4.127 7.556 13.137 1.00 0.00 C ATOM 906 CD LYS A 57 -4.851 8.059 14.377 1.00 0.00 C ATOM 907 CE LYS A 57 -5.556 9.380 14.115 1.00 0.00 C ATOM 908 NZ LYS A 57 -6.156 9.945 15.357 1.00 0.00 N ATOM 0 H LYS A 57 -6.921 4.409 12.032 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.572 7.278 12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.668 5.512 13.458 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.075 5.853 11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.068 7.429 13.360 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.199 8.302 12.346 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.579 7.315 14.701 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.137 8.182 15.191 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.846 10.094 13.697 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.337 9.233 13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.627 10.845 15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.852 9.275 15.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.408 10.109 16.060 1.00 0.00 H new ATOM 922 N VAL A 58 -7.208 5.790 10.043 1.00 0.00 N ATOM 923 CA VAL A 58 -7.365 5.735 8.599 1.00 0.00 C ATOM 924 C VAL A 58 -8.061 6.983 8.082 1.00 0.00 C ATOM 925 O VAL A 58 -8.644 7.751 8.848 1.00 0.00 O ATOM 926 CB VAL A 58 -8.182 4.496 8.177 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.664 4.705 8.455 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.966 4.173 6.708 1.00 0.00 C ATOM 0 H VAL A 58 -7.959 5.337 10.563 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.366 5.671 8.168 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.832 3.651 8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.220 3.819 8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.813 4.878 9.521 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.021 5.569 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.554 3.296 6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.279 5.021 6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.910 3.970 6.532 1.00 0.00 H new ATOM 938 N VAL A 59 -8.012 7.168 6.775 1.00 0.00 N ATOM 939 CA VAL A 59 -8.651 8.302 6.143 1.00 0.00 C ATOM 940 C VAL A 59 -9.390 7.855 4.892 1.00 0.00 C ATOM 941 O VAL A 59 -8.953 6.933 4.205 1.00 0.00 O ATOM 942 CB VAL A 59 -7.630 9.389 5.770 1.00 0.00 C ATOM 943 CG1 VAL A 59 -6.902 9.883 7.009 1.00 0.00 C ATOM 944 CG2 VAL A 59 -6.643 8.877 4.729 1.00 0.00 C ATOM 0 H VAL A 59 -7.532 6.541 6.129 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.356 8.724 6.859 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.171 10.228 5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.183 10.652 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.623 10.301 7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.377 9.051 7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.932 9.666 4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.107 8.016 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.183 8.582 3.829 1.00 0.00 H new ATOM 1052 N VAL A 66 -3.805 4.962 -0.741 1.00 0.00 N ATOM 1053 CA VAL A 66 -2.737 4.053 -0.331 1.00 0.00 C ATOM 1054 C VAL A 66 -1.674 4.794 0.471 1.00 0.00 C ATOM 1055 O VAL A 66 -0.504 4.833 0.087 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.074 3.383 -1.551 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.328 2.124 -1.131 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.112 3.066 -2.618 1.00 0.00 C ATOM 0 HA VAL A 66 -3.190 3.283 0.293 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.352 4.080 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.867 1.665 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.555 2.383 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.027 1.421 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.625 2.594 -3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.861 2.389 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.595 3.988 -2.941 1.00 0.00 H new ATOM 1068 N THR A 67 -2.088 5.387 1.585 1.00 0.00 N ATOM 1069 CA THR A 67 -1.173 6.133 2.439 1.00 0.00 C ATOM 1070 C THR A 67 -0.591 5.242 3.531 1.00 0.00 C ATOM 1071 O THR A 67 -1.308 4.470 4.165 1.00 0.00 O ATOM 1072 CB THR A 67 -1.889 7.327 3.065 1.00 0.00 C ATOM 1073 OG1 THR A 67 -2.336 8.225 2.066 1.00 0.00 O ATOM 1074 CG2 THR A 67 -1.029 8.108 4.035 1.00 0.00 C ATOM 0 H THR A 67 -3.052 5.365 1.918 1.00 0.00 H new ATOM 0 HA THR A 67 -0.352 6.493 1.819 1.00 0.00 H new ATOM 0 HB THR A 67 -2.727 6.900 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.794 8.982 2.488 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.603 8.941 4.441 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.713 7.455 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.151 8.491 3.515 1.00 0.00 H new ATOM 1082 N LYS A 68 0.715 5.360 3.747 1.00 0.00 N ATOM 1083 CA LYS A 68 1.393 4.569 4.766 1.00 0.00 C ATOM 1084 C LYS A 68 1.209 5.198 6.143 1.00 0.00 C ATOM 1085 O LYS A 68 1.466 6.388 6.331 1.00 0.00 O ATOM 1086 CB LYS A 68 2.883 4.445 4.444 1.00 0.00 C ATOM 1087 CG LYS A 68 3.483 3.106 4.842 1.00 0.00 C ATOM 1088 CD LYS A 68 4.994 3.197 5.004 1.00 0.00 C ATOM 1089 CE LYS A 68 5.671 3.616 3.709 1.00 0.00 C ATOM 1090 NZ LYS A 68 6.981 4.281 3.957 1.00 0.00 N ATOM 0 H LYS A 68 1.324 5.995 3.231 1.00 0.00 H new ATOM 0 HA LYS A 68 0.951 3.573 4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.029 4.595 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.424 5.242 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.036 2.769 5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.242 2.359 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.234 3.914 5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.385 2.231 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.822 2.740 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.017 4.294 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.410 4.551 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.834 5.131 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.614 3.625 4.458 1.00 0.00 H new ATOM 1104 N MET A 69 0.763 4.395 7.102 1.00 0.00 N ATOM 1105 CA MET A 69 0.545 4.872 8.462 1.00 0.00 C ATOM 1106 C MET A 69 1.790 5.565 9.010 1.00 0.00 C ATOM 1107 O MET A 69 1.700 6.413 9.897 1.00 0.00 O ATOM 1108 CB MET A 69 0.157 3.708 9.377 1.00 0.00 C ATOM 1109 CG MET A 69 -1.342 3.562 9.582 1.00 0.00 C ATOM 1110 SD MET A 69 -2.090 5.035 10.302 1.00 0.00 S ATOM 1111 CE MET A 69 -1.930 4.672 12.048 1.00 0.00 C ATOM 0 H MET A 69 0.545 3.408 6.962 1.00 0.00 H new ATOM 0 HA MET A 69 -0.269 5.597 8.435 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.549 2.782 8.957 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.635 3.845 10.347 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.817 3.349 8.624 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.535 2.707 10.230 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.847 5.604 12.607 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.808 4.122 12.387 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.037 4.069 12.214 1.00 0.00 H new ATOM 1121 N SER A 70 2.950 5.194 8.480 1.00 0.00 N ATOM 1122 CA SER A 70 4.213 5.776 8.921 1.00 0.00 C ATOM 1123 C SER A 70 4.368 5.647 10.432 1.00 0.00 C ATOM 1124 O SER A 70 5.071 6.436 11.066 1.00 0.00 O ATOM 1125 CB SER A 70 4.299 7.246 8.506 1.00 0.00 C ATOM 1126 OG SER A 70 4.866 7.378 7.214 1.00 0.00 O ATOM 0 H SER A 70 3.042 4.493 7.745 1.00 0.00 H new ATOM 0 HA SER A 70 5.025 5.229 8.442 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.303 7.689 8.517 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.901 7.797 9.229 1.00 0.00 H new ATOM 0 HG SER A 70 4.909 8.326 6.971 1.00 0.00 H new ATOM 1132 N MET A 71 3.709 4.645 10.997 1.00 0.00 N ATOM 1133 CA MET A 71 3.765 4.401 12.434 1.00 0.00 C ATOM 1134 C MET A 71 4.667 3.208 12.747 1.00 0.00 C ATOM 1135 O MET A 71 5.097 3.027 13.887 1.00 0.00 O ATOM 1136 CB MET A 71 2.359 4.156 12.983 1.00 0.00 C ATOM 1137 CG MET A 71 2.309 4.001 14.494 1.00 0.00 C ATOM 1138 SD MET A 71 2.448 5.578 15.359 1.00 0.00 S ATOM 1139 CE MET A 71 4.222 5.823 15.335 1.00 0.00 C ATOM 0 H MET A 71 3.127 3.985 10.481 1.00 0.00 H new ATOM 0 HA MET A 71 4.185 5.284 12.915 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.715 4.986 12.691 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.950 3.257 12.521 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.373 3.518 14.775 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.116 3.343 14.815 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.536 6.298 16.264 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.721 4.859 15.233 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.490 6.461 14.493 1.00 0.00 H new ATOM 1149 N ASN A 72 4.949 2.396 11.731 1.00 0.00 N ATOM 1150 CA ASN A 72 5.798 1.223 11.899 1.00 0.00 C ATOM 1151 C ASN A 72 5.129 0.197 12.808 1.00 0.00 C ATOM 1152 O ASN A 72 5.644 -0.131 13.879 1.00 0.00 O ATOM 1153 CB ASN A 72 7.161 1.623 12.471 1.00 0.00 C ATOM 1154 CG ASN A 72 8.145 0.470 12.481 1.00 0.00 C ATOM 1155 OD1 ASN A 72 8.755 0.169 13.507 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.303 -0.182 11.336 1.00 0.00 N ATOM 0 H ASN A 72 4.601 2.531 10.782 1.00 0.00 H new ATOM 0 HA ASN A 72 5.948 0.772 10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.572 2.443 11.882 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.030 1.994 13.487 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.951 -0.968 11.282 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.776 0.102 10.510 1.00 0.00 H new ATOM 1163 N LEU A 73 3.980 -0.308 12.373 1.00 0.00 N ATOM 1164 CA LEU A 73 3.241 -1.298 13.143 1.00 0.00 C ATOM 1165 C LEU A 73 4.020 -2.603 13.232 1.00 0.00 C ATOM 1166 O LEU A 73 4.243 -3.136 14.318 1.00 0.00 O ATOM 1167 CB LEU A 73 1.874 -1.545 12.508 1.00 0.00 C ATOM 1168 CG LEU A 73 0.859 -0.423 12.718 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.374 0.879 12.127 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.474 -0.800 12.103 1.00 0.00 C ATOM 0 H LEU A 73 3.541 -0.047 11.490 1.00 0.00 H new ATOM 0 HA LEU A 73 3.099 -0.912 14.152 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.009 -1.699 11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.462 -2.469 12.913 1.00 0.00 H new ATOM 0 HG LEU A 73 0.717 -0.278 13.789 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.638 1.667 12.286 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.310 1.154 12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.544 0.751 11.058 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.189 0.008 12.260 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.346 -0.969 11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.847 -1.710 12.573 1.00 0.00 H new ATOM 1182 N ILE A 74 4.428 -3.107 12.077 1.00 0.00 N ATOM 1183 CA ILE A 74 5.186 -4.349 12.004 1.00 0.00 C ATOM 1184 C ILE A 74 6.526 -4.129 11.309 1.00 0.00 C ATOM 1185 O ILE A 74 6.696 -3.171 10.555 1.00 0.00 O ATOM 1186 CB ILE A 74 4.378 -5.447 11.265 1.00 0.00 C ATOM 1187 CG1 ILE A 74 3.793 -6.444 12.267 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.227 -6.178 10.233 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.048 -7.588 11.614 1.00 0.00 C ATOM 0 H ILE A 74 4.246 -2.673 11.172 1.00 0.00 H new ATOM 0 HA ILE A 74 5.374 -4.683 13.024 1.00 0.00 H new ATOM 0 HB ILE A 74 3.565 -4.952 10.734 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.600 -6.848 12.879 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.116 -5.917 12.939 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.623 -6.939 9.738 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.592 -5.466 9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.074 -6.653 10.729 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.660 -8.256 12.383 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.220 -7.194 11.025 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.726 -8.140 10.963 1.00 0.00 H new ATOM 1201 N ASP A 75 7.469 -5.033 11.556 1.00 0.00 N ATOM 1202 CA ASP A 75 8.785 -4.945 10.942 1.00 0.00 C ATOM 1203 C ASP A 75 8.916 -5.964 9.817 1.00 0.00 C ATOM 1204 O ASP A 75 8.420 -7.085 9.920 1.00 0.00 O ATOM 1205 CB ASP A 75 9.881 -5.173 11.986 1.00 0.00 C ATOM 1206 CG ASP A 75 11.244 -4.721 11.500 1.00 0.00 C ATOM 1207 OD1 ASP A 75 12.245 -5.390 11.838 1.00 0.00 O ATOM 1208 OD2 ASP A 75 11.312 -3.702 10.782 1.00 0.00 O ATOM 0 H ASP A 75 7.345 -5.833 12.176 1.00 0.00 H new ATOM 0 HA ASP A 75 8.902 -3.945 10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.627 -4.635 12.899 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.922 -6.232 12.241 1.00 0.00 H new ATOM 1213 N GLY A 76 9.578 -5.560 8.742 1.00 0.00 N ATOM 1214 CA GLY A 76 9.752 -6.445 7.607 1.00 0.00 C ATOM 1215 C GLY A 76 8.949 -5.996 6.404 1.00 0.00 C ATOM 1216 O GLY A 76 9.384 -6.159 5.264 1.00 0.00 O ATOM 0 H GLY A 76 9.997 -4.636 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.808 -6.489 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.451 -7.455 7.886 1.00 0.00 H new ATOM 1220 N PHE A 77 7.773 -5.426 6.657 1.00 0.00 N ATOM 1221 CA PHE A 77 6.911 -4.949 5.579 1.00 0.00 C ATOM 1222 C PHE A 77 6.536 -3.483 5.800 1.00 0.00 C ATOM 1223 O PHE A 77 7.067 -2.827 6.697 1.00 0.00 O ATOM 1224 CB PHE A 77 5.643 -5.806 5.475 1.00 0.00 C ATOM 1225 CG PHE A 77 5.733 -7.135 6.183 1.00 0.00 C ATOM 1226 CD1 PHE A 77 6.472 -8.179 5.651 1.00 0.00 C ATOM 1227 CD2 PHE A 77 5.070 -7.333 7.380 1.00 0.00 C ATOM 1228 CE1 PHE A 77 6.543 -9.399 6.304 1.00 0.00 C ATOM 1229 CE2 PHE A 77 5.138 -8.547 8.036 1.00 0.00 C ATOM 1230 CZ PHE A 77 5.873 -9.579 7.500 1.00 0.00 C ATOM 0 H PHE A 77 7.397 -5.284 7.594 1.00 0.00 H new ATOM 0 HA PHE A 77 7.464 -5.033 4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.804 -5.244 5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.423 -5.982 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.998 -8.041 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.491 -6.528 7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.120 -10.207 5.880 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.614 -8.686 8.970 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.927 -10.528 8.013 1.00 0.00 H new ATOM 1240 N ASP A 78 5.618 -2.973 4.982 1.00 0.00 N ATOM 1241 CA ASP A 78 5.174 -1.584 5.095 1.00 0.00 C ATOM 1242 C ASP A 78 3.650 -1.507 5.173 1.00 0.00 C ATOM 1243 O ASP A 78 2.949 -2.066 4.332 1.00 0.00 O ATOM 1244 CB ASP A 78 5.681 -0.760 3.910 1.00 0.00 C ATOM 1245 CG ASP A 78 6.958 -0.010 4.231 1.00 0.00 C ATOM 1246 OD1 ASP A 78 7.825 0.097 3.339 1.00 0.00 O ATOM 1247 OD2 ASP A 78 7.092 0.472 5.376 1.00 0.00 O ATOM 0 H ASP A 78 5.167 -3.500 4.234 1.00 0.00 H new ATOM 0 HA ASP A 78 5.590 -1.170 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.855 -1.420 3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.911 -0.049 3.610 1.00 0.00 H new ATOM 1252 N CYS A 79 3.148 -0.818 6.193 1.00 0.00 N ATOM 1253 CA CYS A 79 1.705 -0.679 6.396 1.00 0.00 C ATOM 1254 C CYS A 79 1.103 0.436 5.542 1.00 0.00 C ATOM 1255 O CYS A 79 1.234 1.618 5.861 1.00 0.00 O ATOM 1256 CB CYS A 79 1.408 -0.410 7.874 1.00 0.00 C ATOM 1257 SG CYS A 79 2.368 0.948 8.584 1.00 0.00 S ATOM 0 H CYS A 79 3.718 -0.345 6.894 1.00 0.00 H new ATOM 0 HA CYS A 79 1.244 -1.617 6.086 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.347 -0.188 7.986 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.606 -1.318 8.444 1.00 0.00 H new ATOM 0 HG CYS A 79 2.339 1.967 7.778 1.00 0.00 H new ATOM 1263 N PHE A 80 0.428 0.049 4.463 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.217 1.007 3.564 1.00 0.00 C ATOM 1265 C PHE A 80 -1.734 0.815 3.578 1.00 0.00 C ATOM 1266 O PHE A 80 -2.219 -0.315 3.534 1.00 0.00 O ATOM 1267 CB PHE A 80 0.309 0.832 2.137 1.00 0.00 C ATOM 1268 CG PHE A 80 1.599 1.554 1.870 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.593 2.856 1.400 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.817 0.926 2.081 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.777 3.522 1.145 1.00 0.00 C ATOM 1272 CE2 PHE A 80 4.004 1.586 1.829 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.984 2.886 1.361 1.00 0.00 C ATOM 0 H PHE A 80 0.312 -0.926 4.187 1.00 0.00 H new ATOM 0 HA PHE A 80 0.017 2.013 3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.452 -0.231 1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.446 1.187 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.652 3.358 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.838 -0.090 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.758 4.537 0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.947 1.087 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.911 3.404 1.164 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.486 1.915 3.634 1.00 0.00 N ATOM 1284 CA TYR A 81 -3.947 1.831 3.651 1.00 0.00 C ATOM 1285 C TYR A 81 -4.583 2.770 2.625 1.00 0.00 C ATOM 1286 O TYR A 81 -4.135 3.902 2.439 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.495 2.124 5.051 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.131 3.491 5.594 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -3.013 3.662 6.400 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -4.909 4.607 5.307 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -2.680 4.905 6.905 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -4.582 5.853 5.809 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.468 5.996 6.606 1.00 0.00 C ATOM 1294 OH TYR A 81 -3.138 7.235 7.105 1.00 0.00 O ATOM 0 H TYR A 81 -2.113 2.864 3.668 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.213 0.810 3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.581 2.033 5.029 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.125 1.363 5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.393 2.810 6.636 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.783 4.499 4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.807 5.021 7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.197 6.710 5.577 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.794 7.896 6.800 1.00 0.00 H new ATOM 1304 N SER A 82 -5.633 2.279 1.968 1.00 0.00 N ATOM 1305 CA SER A 82 -6.353 3.052 0.957 1.00 0.00 C ATOM 1306 C SER A 82 -7.847 2.738 1.009 1.00 0.00 C ATOM 1307 O SER A 82 -8.242 1.583 0.879 1.00 0.00 O ATOM 1308 CB SER A 82 -5.819 2.728 -0.438 1.00 0.00 C ATOM 1309 OG SER A 82 -6.039 3.805 -1.330 1.00 0.00 O ATOM 0 H SER A 82 -6.006 1.342 2.120 1.00 0.00 H new ATOM 0 HA SER A 82 -6.201 4.111 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.752 2.511 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.307 1.831 -0.819 1.00 0.00 H new ATOM 0 HG SER A 82 -5.452 4.552 -1.092 1.00 0.00 H new ATOM 1315 N THR A 83 -8.679 3.761 1.194 1.00 0.00 N ATOM 1316 CA THR A 83 -10.122 3.546 1.250 1.00 0.00 C ATOM 1317 C THR A 83 -10.733 3.580 -0.146 1.00 0.00 C ATOM 1318 O THR A 83 -10.204 4.218 -1.056 1.00 0.00 O ATOM 1319 CB THR A 83 -10.805 4.581 2.146 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.712 5.880 1.587 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.232 4.637 3.544 1.00 0.00 C ATOM 0 H THR A 83 -8.385 4.731 1.306 1.00 0.00 H new ATOM 0 HA THR A 83 -10.287 2.558 1.680 1.00 0.00 H new ATOM 0 HB THR A 83 -11.844 4.258 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.157 6.523 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.763 5.392 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.345 3.664 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.174 4.895 3.494 1.00 0.00 H new ATOM 1329 N ASP A 84 -11.858 2.883 -0.305 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.554 2.821 -1.588 1.00 0.00 C ATOM 1331 C ASP A 84 -12.699 4.209 -2.205 1.00 0.00 C ATOM 1332 O ASP A 84 -12.632 5.220 -1.507 1.00 0.00 O ATOM 1333 CB ASP A 84 -13.932 2.182 -1.412 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.382 1.430 -2.648 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -13.857 1.718 -3.743 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -15.259 0.548 -2.520 1.00 0.00 O ATOM 0 H ASP A 84 -12.307 2.352 0.442 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.958 2.208 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.907 1.499 -0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.661 2.957 -1.176 1.00 0.00 H new ATOM 1341 N ASP A 85 -12.895 4.247 -3.517 1.00 0.00 N ATOM 1342 CA ASP A 85 -13.048 5.510 -4.229 1.00 0.00 C ATOM 1343 C ASP A 85 -14.485 6.024 -4.158 1.00 0.00 C ATOM 1344 O ASP A 85 -14.802 7.073 -4.719 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.628 5.347 -5.691 1.00 0.00 C ATOM 1346 CG ASP A 85 -12.171 6.653 -6.312 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -11.466 7.421 -5.626 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -12.517 6.907 -7.485 1.00 0.00 O ATOM 0 H ASP A 85 -12.952 3.419 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.402 6.242 -3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.822 4.616 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -13.465 4.949 -6.264 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.355 5.284 -3.471 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.753 5.686 -3.345 1.00 0.00 C ATOM 1355 C HIS A 86 -17.429 5.013 -2.152 1.00 0.00 C ATOM 1356 O HIS A 86 -18.656 4.908 -2.107 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.514 5.346 -4.629 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.617 3.875 -4.895 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -16.988 2.924 -4.120 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -18.281 3.193 -5.859 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -17.261 1.721 -4.594 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -18.045 1.858 -5.649 1.00 0.00 N ATOM 0 H HIS A 86 -15.119 4.412 -2.998 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.773 6.763 -3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.518 5.767 -4.568 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -17.018 5.825 -5.473 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -18.884 3.621 -6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.904 0.786 -4.188 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -18.415 1.095 -6.215 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.637 4.560 -1.183 1.00 0.00 N ATOM 1372 CA ASP A 87 -17.187 3.902 -0.004 1.00 0.00 C ATOM 1373 C ASP A 87 -16.184 3.898 1.149 1.00 0.00 C ATOM 1374 O ASP A 87 -15.258 3.086 1.170 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.597 2.468 -0.343 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.962 2.110 0.214 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.081 1.979 1.450 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.908 1.962 -0.587 1.00 0.00 O ATOM 0 H ASP A 87 -15.620 4.636 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.066 4.463 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.605 2.341 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -16.853 1.777 0.053 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.358 4.795 2.139 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.464 4.869 3.301 1.00 0.00 C ATOM 1385 C PRO A 88 -15.546 3.611 4.160 1.00 0.00 C ATOM 1386 O PRO A 88 -14.677 3.361 4.996 1.00 0.00 O ATOM 1387 CB PRO A 88 -15.977 6.086 4.076 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.393 6.249 3.644 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.441 5.794 2.214 1.00 0.00 C ATOM 0 HA PRO A 88 -14.417 4.953 3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.909 5.926 5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.390 6.976 3.848 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.062 5.654 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.712 7.287 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.408 5.358 1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.274 6.620 1.523 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.588 2.812 3.935 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.778 1.570 4.670 1.00 0.00 C ATOM 1399 C LYS A 89 -16.219 0.398 3.873 1.00 0.00 C ATOM 1400 O LYS A 89 -16.704 -0.727 3.972 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.262 1.344 4.967 1.00 0.00 C ATOM 1402 CG LYS A 89 -18.933 2.528 5.647 1.00 0.00 C ATOM 1403 CD LYS A 89 -18.392 2.742 7.052 1.00 0.00 C ATOM 1404 CE LYS A 89 -19.375 3.517 7.915 1.00 0.00 C ATOM 1405 NZ LYS A 89 -20.747 2.943 7.845 1.00 0.00 N ATOM 0 H LYS A 89 -17.314 3.007 3.246 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.242 1.642 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.782 1.129 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.367 0.464 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.774 3.428 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -20.009 2.362 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.183 1.777 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.447 3.282 7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.032 3.513 8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.400 4.558 7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.247 3.129 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.267 3.382 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.686 1.916 7.690 1.00 0.00 H new ATOM 1419 N THR A 90 -15.187 0.679 3.085 1.00 0.00 N ATOM 1420 CA THR A 90 -14.539 -0.331 2.264 1.00 0.00 C ATOM 1421 C THR A 90 -13.079 0.040 2.053 1.00 0.00 C ATOM 1422 O THR A 90 -12.674 0.454 0.969 1.00 0.00 O ATOM 1423 CB THR A 90 -15.260 -0.466 0.919 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.594 -0.899 1.109 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.596 -1.436 -0.034 1.00 0.00 C ATOM 0 H THR A 90 -14.779 1.610 2.999 1.00 0.00 H new ATOM 0 HA THR A 90 -14.588 -1.293 2.775 1.00 0.00 H new ATOM 0 HB THR A 90 -15.222 0.529 0.476 1.00 0.00 H new ATOM 0 HG1 THR A 90 -17.039 -0.978 0.240 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.163 -1.478 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.580 -1.102 -0.244 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.566 -2.427 0.418 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.304 -0.095 3.116 1.00 0.00 N ATOM 1434 CA VAL A 91 -10.890 0.233 3.085 1.00 0.00 C ATOM 1435 C VAL A 91 -10.090 -0.813 2.314 1.00 0.00 C ATOM 1436 O VAL A 91 -10.637 -1.805 1.836 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.304 0.384 4.507 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.260 1.493 4.542 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.407 0.653 5.521 1.00 0.00 C ATOM 0 H VAL A 91 -12.635 -0.433 4.019 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.807 1.191 2.571 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.818 -0.554 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.859 1.584 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.452 1.254 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.721 2.436 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.971 0.756 6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.928 1.573 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.113 -0.177 5.519 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.791 -0.571 2.202 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.885 -1.471 1.490 1.00 0.00 C ATOM 1451 C TYR A 92 -6.472 -1.348 2.052 1.00 0.00 C ATOM 1452 O TYR A 92 -5.650 -0.602 1.521 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.856 -1.150 -0.010 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.184 -1.281 -0.724 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -10.170 -0.310 -0.595 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -9.442 -2.371 -1.545 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -11.375 -0.424 -1.263 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -10.646 -2.494 -2.212 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.609 -1.520 -2.068 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.808 -1.639 -2.735 1.00 0.00 O ATOM 0 H TYR A 92 -8.334 0.250 2.599 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.251 -2.489 1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.491 -0.131 -0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.136 -1.811 -0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.992 0.547 0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.689 -3.136 -1.664 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -12.130 0.341 -1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.831 -3.350 -2.844 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.810 -2.467 -3.259 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.196 -2.072 3.129 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.881 -2.028 3.755 1.00 0.00 C ATOM 1472 C VAL A 93 -4.017 -3.207 3.319 1.00 0.00 C ATOM 1473 O VAL A 93 -4.466 -4.352 3.321 1.00 0.00 O ATOM 1474 CB VAL A 93 -5.005 -2.011 5.289 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.638 -1.940 5.949 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.877 -0.846 5.728 1.00 0.00 C ATOM 0 H VAL A 93 -6.862 -2.695 3.586 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.397 -1.108 3.428 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.476 -2.941 5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.757 -1.929 7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.048 -2.809 5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.127 -1.031 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.959 -0.842 6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.429 0.090 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.870 -0.949 5.290 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.779 -2.918 2.935 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.863 -3.959 2.484 1.00 0.00 C ATOM 1488 C CYS A 94 -0.447 -3.736 3.012 1.00 0.00 C ATOM 1489 O CYS A 94 0.108 -2.642 2.902 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.842 -4.012 0.955 1.00 0.00 C ATOM 1491 SG CYS A 94 -1.075 -2.573 0.171 1.00 0.00 S ATOM 0 H CYS A 94 -2.388 -1.976 2.927 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.223 -4.909 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -1.309 -4.909 0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.866 -4.106 0.592 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.211 -2.044 0.985 1.00 0.00 H new ATOM 1497 N PHE A 95 0.137 -4.794 3.567 1.00 0.00 N ATOM 1498 CA PHE A 95 1.494 -4.741 4.092 1.00 0.00 C ATOM 1499 C PHE A 95 2.494 -5.096 2.995 1.00 0.00 C ATOM 1500 O PHE A 95 2.815 -6.267 2.800 1.00 0.00 O ATOM 1501 CB PHE A 95 1.650 -5.720 5.255 1.00 0.00 C ATOM 1502 CG PHE A 95 1.070 -5.233 6.550 1.00 0.00 C ATOM 1503 CD1 PHE A 95 -0.300 -5.238 6.755 1.00 0.00 C ATOM 1504 CD2 PHE A 95 1.896 -4.782 7.567 1.00 0.00 C ATOM 1505 CE1 PHE A 95 -0.835 -4.802 7.951 1.00 0.00 C ATOM 1506 CE2 PHE A 95 1.366 -4.343 8.764 1.00 0.00 C ATOM 1507 CZ PHE A 95 -0.001 -4.354 8.956 1.00 0.00 C ATOM 0 H PHE A 95 -0.314 -5.704 3.664 1.00 0.00 H new ATOM 0 HA PHE A 95 1.688 -3.729 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.173 -6.663 4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.710 -5.929 5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.956 -5.586 5.971 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.966 -4.774 7.422 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.905 -4.811 8.100 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.020 -3.992 9.549 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.418 -4.012 9.892 1.00 0.00 H new ATOM 1517 N THR A 96 2.976 -4.088 2.275 1.00 0.00 N ATOM 1518 CA THR A 96 3.931 -4.318 1.196 1.00 0.00 C ATOM 1519 C THR A 96 5.360 -4.361 1.724 1.00 0.00 C ATOM 1520 O THR A 96 5.749 -3.549 2.560 1.00 0.00 O ATOM 1521 CB THR A 96 3.800 -3.240 0.118 1.00 0.00 C ATOM 1522 OG1 THR A 96 2.920 -2.212 0.539 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.281 -3.780 -1.195 1.00 0.00 C ATOM 0 H THR A 96 2.723 -3.110 2.417 1.00 0.00 H new ATOM 0 HA THR A 96 3.701 -5.287 0.753 1.00 0.00 H new ATOM 0 HB THR A 96 4.808 -2.854 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.428 -1.518 1.009 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.210 -2.969 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.964 -4.543 -1.570 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.295 -4.219 -1.044 1.00 0.00 H new ATOM 1531 N LEU A 97 6.136 -5.318 1.230 1.00 0.00 N ATOM 1532 CA LEU A 97 7.525 -5.481 1.648 1.00 0.00 C ATOM 1533 C LEU A 97 8.280 -4.154 1.611 1.00 0.00 C ATOM 1534 O LEU A 97 8.270 -3.451 0.600 1.00 0.00 O ATOM 1535 CB LEU A 97 8.214 -6.507 0.761 1.00 0.00 C ATOM 1536 CG LEU A 97 7.596 -7.900 0.822 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.232 -8.803 -0.211 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.740 -8.496 2.215 1.00 0.00 C ATOM 0 H LEU A 97 5.825 -5.997 0.535 1.00 0.00 H new ATOM 0 HA LEU A 97 7.530 -5.834 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.188 -6.155 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.263 -6.574 1.049 1.00 0.00 H new ATOM 0 HG LEU A 97 6.532 -7.813 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.781 -9.794 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.072 -8.387 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.302 -8.880 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.292 -9.489 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.797 -8.570 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.235 -7.856 2.938 1.00 0.00 H new ATOM 1550 N VAL A 98 8.926 -3.813 2.722 1.00 0.00 N ATOM 1551 CA VAL A 98 9.682 -2.565 2.822 1.00 0.00 C ATOM 1552 C VAL A 98 10.644 -2.403 1.650 1.00 0.00 C ATOM 1553 O VAL A 98 10.831 -1.302 1.136 1.00 0.00 O ATOM 1554 CB VAL A 98 10.476 -2.480 4.143 1.00 0.00 C ATOM 1555 CG1 VAL A 98 9.590 -1.962 5.264 1.00 0.00 C ATOM 1556 CG2 VAL A 98 11.071 -3.834 4.506 1.00 0.00 C ATOM 0 H VAL A 98 8.942 -4.383 3.568 1.00 0.00 H new ATOM 0 HA VAL A 98 8.949 -1.758 2.800 1.00 0.00 H new ATOM 0 HB VAL A 98 11.298 -1.778 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.166 -1.909 6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.222 -0.968 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.745 -2.637 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.626 -3.749 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.270 -4.563 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.744 -4.160 3.713 1.00 0.00 H new ATOM 1566 N ASP A 99 11.246 -3.509 1.227 1.00 0.00 N ATOM 1567 CA ASP A 99 12.181 -3.487 0.108 1.00 0.00 C ATOM 1568 C ASP A 99 11.504 -2.940 -1.146 1.00 0.00 C ATOM 1569 O ASP A 99 12.163 -2.406 -2.039 1.00 0.00 O ATOM 1570 CB ASP A 99 12.720 -4.893 -0.160 1.00 0.00 C ATOM 1571 CG ASP A 99 13.665 -5.367 0.928 1.00 0.00 C ATOM 1572 OD1 ASP A 99 13.872 -6.593 1.041 1.00 0.00 O ATOM 1573 OD2 ASP A 99 14.197 -4.512 1.666 1.00 0.00 O ATOM 0 H ASP A 99 11.104 -4.430 1.641 1.00 0.00 H new ATOM 0 HA ASP A 99 13.013 -2.833 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.886 -5.590 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.239 -4.904 -1.118 1.00 0.00 H new ATOM 1578 N ILE A 100 10.183 -3.077 -1.201 1.00 0.00 N ATOM 1579 CA ILE A 100 9.406 -2.596 -2.337 1.00 0.00 C ATOM 1580 C ILE A 100 9.164 -1.091 -2.233 1.00 0.00 C ATOM 1581 O ILE A 100 8.875 -0.575 -1.154 1.00 0.00 O ATOM 1582 CB ILE A 100 8.048 -3.327 -2.420 1.00 0.00 C ATOM 1583 CG1 ILE A 100 8.271 -4.834 -2.546 1.00 0.00 C ATOM 1584 CG2 ILE A 100 7.222 -2.810 -3.591 1.00 0.00 C ATOM 1585 CD1 ILE A 100 6.992 -5.639 -2.501 1.00 0.00 C ATOM 0 H ILE A 100 9.627 -3.519 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 100 9.980 -2.803 -3.240 1.00 0.00 H new ATOM 0 HB ILE A 100 7.493 -3.128 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.788 -5.040 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.928 -5.165 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.271 -3.341 -3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.038 -1.743 -3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.766 -2.976 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.226 -6.699 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.484 -5.463 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.342 -5.336 -3.322 1.00 0.00 H new ATOM 1597 N PRO A 101 9.279 -0.362 -3.357 1.00 0.00 N ATOM 1598 CA PRO A 101 9.068 1.090 -3.379 1.00 0.00 C ATOM 1599 C PRO A 101 7.654 1.470 -2.953 1.00 0.00 C ATOM 1600 O PRO A 101 6.820 0.602 -2.692 1.00 0.00 O ATOM 1601 CB PRO A 101 9.310 1.475 -4.844 1.00 0.00 C ATOM 1602 CG PRO A 101 9.155 0.207 -5.609 1.00 0.00 C ATOM 1603 CD PRO A 101 9.618 -0.887 -4.690 1.00 0.00 C ATOM 0 HA PRO A 101 9.728 1.606 -2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.594 2.227 -5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.305 1.899 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.117 0.054 -5.906 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.749 0.227 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.109 -1.829 -4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.687 -1.074 -4.791 1.00 0.00 H new ATOM 1611 N LYS A 102 7.393 2.769 -2.884 1.00 0.00 N ATOM 1612 CA LYS A 102 6.080 3.264 -2.488 1.00 0.00 C ATOM 1613 C LYS A 102 5.213 3.539 -3.713 1.00 0.00 C ATOM 1614 O LYS A 102 4.792 4.673 -3.946 1.00 0.00 O ATOM 1615 CB LYS A 102 6.222 4.536 -1.650 1.00 0.00 C ATOM 1616 CG LYS A 102 4.899 5.071 -1.131 1.00 0.00 C ATOM 1617 CD LYS A 102 5.104 6.030 0.031 1.00 0.00 C ATOM 1618 CE LYS A 102 5.265 7.466 -0.447 1.00 0.00 C ATOM 1619 NZ LYS A 102 4.226 8.362 0.128 1.00 0.00 N ATOM 0 H LYS A 102 8.073 3.499 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 102 5.594 2.496 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.879 4.333 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.705 5.306 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.370 5.581 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.269 4.240 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.254 5.966 0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.987 5.733 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.254 7.832 -0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.208 7.495 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.371 9.331 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.283 8.028 -0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.297 8.355 1.166 1.00 0.00 H new ATOM 1633 N ILE A 103 4.949 2.497 -4.494 1.00 0.00 N ATOM 1634 CA ILE A 103 4.130 2.634 -5.694 1.00 0.00 C ATOM 1635 C ILE A 103 3.355 1.355 -6.007 1.00 0.00 C ATOM 1636 O ILE A 103 2.238 1.417 -6.520 1.00 0.00 O ATOM 1637 CB ILE A 103 4.982 3.037 -6.918 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.089 3.275 -8.138 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.035 1.978 -7.217 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.345 4.591 -8.095 1.00 0.00 C ATOM 0 H ILE A 103 5.289 1.551 -4.319 1.00 0.00 H new ATOM 0 HA ILE A 103 3.413 3.428 -5.487 1.00 0.00 H new ATOM 0 HB ILE A 103 5.498 3.968 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.702 3.243 -9.039 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.368 2.461 -8.214 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.623 2.283 -8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.692 1.864 -6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.545 1.027 -7.428 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.732 4.692 -8.991 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.705 4.619 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.060 5.412 -8.050 1.00 0.00 H new ATOM 1652 N LEU A 104 3.933 0.195 -5.693 1.00 0.00 N ATOM 1653 CA LEU A 104 3.250 -1.066 -5.952 1.00 0.00 C ATOM 1654 C LEU A 104 1.950 -1.129 -5.158 1.00 0.00 C ATOM 1655 O LEU A 104 0.873 -1.192 -5.741 1.00 0.00 O ATOM 1656 CB LEU A 104 4.130 -2.278 -5.612 1.00 0.00 C ATOM 1657 CG LEU A 104 3.386 -3.625 -5.582 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.094 -4.112 -6.992 1.00 0.00 C ATOM 1659 CD2 LEU A 104 4.180 -4.671 -4.816 1.00 0.00 C ATOM 0 H LEU A 104 4.855 0.105 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 104 3.031 -1.106 -7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.937 -2.340 -6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.593 -2.112 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 104 2.439 -3.470 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.568 -5.065 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.474 -3.380 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.031 -4.241 -7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.631 -5.613 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.147 -4.818 -5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.332 -4.334 -3.791 1.00 0.00 H new ATOM 1671 N PRO A 105 2.027 -1.095 -3.815 1.00 0.00 N ATOM 1672 CA PRO A 105 0.841 -1.138 -2.961 1.00 0.00 C ATOM 1673 C PRO A 105 -0.205 -0.132 -3.415 1.00 0.00 C ATOM 1674 O PRO A 105 -1.406 -0.347 -3.249 1.00 0.00 O ATOM 1675 CB PRO A 105 1.371 -0.781 -1.561 1.00 0.00 C ATOM 1676 CG PRO A 105 2.779 -0.322 -1.766 1.00 0.00 C ATOM 1677 CD PRO A 105 3.259 -0.991 -3.021 1.00 0.00 C ATOM 0 HA PRO A 105 0.348 -2.110 -2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.767 0.002 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.333 -1.644 -0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.825 0.763 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.405 -0.594 -0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.021 -0.401 -3.530 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.695 -1.969 -2.818 1.00 0.00 H new ATOM 1685 N ILE A 106 0.265 0.960 -4.005 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.619 1.995 -4.508 1.00 0.00 C ATOM 1687 C ILE A 106 -1.323 1.509 -5.768 1.00 0.00 C ATOM 1688 O ILE A 106 -2.494 1.808 -5.998 1.00 0.00 O ATOM 1689 CB ILE A 106 0.160 3.294 -4.800 1.00 0.00 C ATOM 1690 CG1 ILE A 106 0.646 3.919 -3.492 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.688 4.285 -5.584 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.148 3.893 -3.340 1.00 0.00 C ATOM 0 H ILE A 106 1.257 1.149 -4.146 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.364 2.212 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 106 1.024 3.041 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.300 4.951 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.194 3.389 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.109 5.189 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.985 3.839 -6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.578 4.538 -5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.426 4.352 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.498 2.861 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.606 4.448 -4.159 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.597 0.735 -6.567 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.146 0.177 -7.796 1.00 0.00 C ATOM 1706 C ARG A 107 -1.957 -1.079 -7.485 1.00 0.00 C ATOM 1707 O ARG A 107 -2.885 -1.427 -8.214 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.022 -0.148 -8.783 1.00 0.00 C ATOM 1709 CG ARG A 107 -0.074 0.683 -10.056 1.00 0.00 C ATOM 1710 CD ARG A 107 -1.270 0.312 -10.917 1.00 0.00 C ATOM 1711 NE ARG A 107 -2.312 1.337 -10.876 1.00 0.00 N ATOM 1712 CZ ARG A 107 -2.268 2.465 -11.579 1.00 0.00 C ATOM 1713 NH1 ARG A 107 -1.239 2.719 -12.378 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -3.258 3.344 -11.485 1.00 0.00 N ATOM 0 H ARG A 107 0.374 0.480 -6.385 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.804 0.917 -8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.939 0.012 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.074 -1.205 -9.046 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.124 1.741 -9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.844 0.536 -10.625 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.944 0.167 -11.947 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.682 -0.638 -10.576 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.119 1.178 -10.273 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.476 2.047 -12.456 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.212 3.586 -12.914 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.052 3.154 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.225 4.209 -12.024 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.607 -1.747 -6.386 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.305 -2.953 -5.964 1.00 0.00 C ATOM 1730 C ILE A 108 -3.666 -2.598 -5.387 1.00 0.00 C ATOM 1731 O ILE A 108 -4.687 -3.147 -5.800 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.497 -3.741 -4.912 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.091 -4.039 -5.434 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.210 -5.033 -4.545 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -0.065 -5.074 -6.533 1.00 0.00 C ATOM 0 H ILE A 108 -0.841 -1.469 -5.772 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.428 -3.583 -6.845 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.413 -3.128 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.354 -3.116 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.530 -4.383 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.624 -5.574 -3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.193 -4.802 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.325 -5.651 -5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.963 -5.236 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.480 -6.010 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.659 -4.724 -7.377 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.678 -1.662 -4.445 1.00 0.00 N ATOM 1748 CA LEU A 109 -4.922 -1.220 -3.830 1.00 0.00 C ATOM 1749 C LEU A 109 -5.768 -0.488 -4.858 1.00 0.00 C ATOM 1750 O LEU A 109 -6.897 -0.887 -5.144 1.00 0.00 O ATOM 1751 CB LEU A 109 -4.638 -0.319 -2.622 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.672 -1.011 -1.249 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.714 -2.527 -1.393 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.476 -0.592 -0.411 1.00 0.00 C ATOM 0 H LEU A 109 -2.842 -1.196 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.471 -2.092 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.656 0.136 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.367 0.491 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.584 -0.697 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.737 -2.986 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.607 -2.815 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.828 -2.866 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.517 -1.092 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.556 -0.871 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.496 0.488 -0.263 1.00 0.00 H new ATOM 1766 N SER A 110 -5.203 0.564 -5.439 1.00 0.00 N ATOM 1767 CA SER A 110 -5.906 1.317 -6.468 1.00 0.00 C ATOM 1768 C SER A 110 -6.245 0.386 -7.626 1.00 0.00 C ATOM 1769 O SER A 110 -7.212 0.603 -8.355 1.00 0.00 O ATOM 1770 CB SER A 110 -5.051 2.486 -6.960 1.00 0.00 C ATOM 1771 OG SER A 110 -5.779 3.309 -7.855 1.00 0.00 O ATOM 0 H SER A 110 -4.270 0.911 -5.218 1.00 0.00 H new ATOM 0 HA SER A 110 -6.825 1.725 -6.048 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.714 3.078 -6.109 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.159 2.104 -7.456 1.00 0.00 H new ATOM 0 HG SER A 110 -5.211 4.050 -8.154 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.445 -0.671 -7.768 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.675 -1.644 -8.811 1.00 0.00 C ATOM 1779 C GLY A 111 -6.865 -2.523 -8.488 1.00 0.00 C ATOM 1780 O GLY A 111 -7.725 -2.745 -9.337 1.00 0.00 O ATOM 0 H GLY A 111 -4.640 -0.866 -7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.844 -1.132 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.786 -2.263 -8.937 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.928 -3.011 -7.248 1.00 0.00 N ATOM 1785 CA LEU A 112 -8.046 -3.846 -6.821 1.00 0.00 C ATOM 1786 C LEU A 112 -9.350 -3.098 -7.073 1.00 0.00 C ATOM 1787 O LEU A 112 -10.400 -3.704 -7.286 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.931 -4.214 -5.333 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.754 -5.125 -4.958 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.296 -4.848 -3.533 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -7.132 -6.593 -5.106 1.00 0.00 C ATOM 0 H LEU A 112 -6.224 -2.843 -6.529 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.030 -4.773 -7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.851 -3.293 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.856 -4.703 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.933 -4.909 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.461 -5.503 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.979 -3.809 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.120 -5.033 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.281 -7.217 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.973 -6.820 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.414 -6.794 -6.140 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.259 -1.768 -7.067 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.416 -0.923 -7.314 1.00 0.00 C ATOM 1805 C GLN A 113 -10.823 -0.993 -8.783 1.00 0.00 C ATOM 1806 O GLN A 113 -11.954 -0.659 -9.136 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.112 0.524 -6.923 1.00 0.00 C ATOM 1808 CG GLN A 113 -10.426 0.840 -5.470 1.00 0.00 C ATOM 1809 CD GLN A 113 -9.323 1.628 -4.790 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -8.649 1.125 -3.892 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -9.137 2.872 -5.218 1.00 0.00 N ATOM 0 H GLN A 113 -8.393 -1.257 -6.893 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.243 -1.286 -6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.058 0.729 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.686 1.193 -7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.356 1.406 -5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.589 -0.091 -4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.721 3.247 -5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -8.411 3.452 -4.799 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.903 -1.442 -9.640 1.00 0.00 N ATOM 1821 CA GLU A 114 -10.194 -1.564 -11.058 1.00 0.00 C ATOM 1822 C GLU A 114 -11.145 -2.728 -11.295 1.00 0.00 C ATOM 1823 O GLU A 114 -11.834 -2.785 -12.314 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.906 -1.761 -11.861 1.00 0.00 C ATOM 1825 CG GLU A 114 -8.003 -0.540 -11.871 1.00 0.00 C ATOM 1826 CD GLU A 114 -6.550 -0.892 -12.126 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -5.671 -0.092 -11.742 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -6.292 -1.966 -12.707 1.00 0.00 O ATOM 0 H GLU A 114 -8.960 -1.723 -9.373 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.669 -0.642 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.356 -2.606 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.164 -2.020 -12.888 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.345 0.154 -12.639 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.086 -0.024 -10.915 1.00 0.00 H new ATOM 1835 N TYR A 115 -11.183 -3.657 -10.339 1.00 0.00 N ATOM 1836 CA TYR A 115 -12.052 -4.811 -10.443 1.00 0.00 C ATOM 1837 C TYR A 115 -13.387 -4.539 -9.750 1.00 0.00 C ATOM 1838 O TYR A 115 -13.670 -3.405 -9.363 1.00 0.00 O ATOM 1839 CB TYR A 115 -11.374 -6.040 -9.835 1.00 0.00 C ATOM 1840 CG TYR A 115 -10.110 -6.448 -10.558 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -10.012 -7.687 -11.177 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -9.015 -5.593 -10.623 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -8.859 -8.064 -11.843 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -7.860 -5.963 -11.285 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.786 -7.199 -11.892 1.00 0.00 C ATOM 1846 OH TYR A 115 -6.637 -7.570 -12.552 1.00 0.00 O ATOM 0 H TYR A 115 -10.620 -3.626 -9.489 1.00 0.00 H new ATOM 0 HA TYR A 115 -12.246 -5.007 -11.498 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -11.137 -5.836 -8.791 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -12.075 -6.875 -9.845 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -10.849 -8.368 -11.138 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -9.068 -4.624 -10.148 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.800 -9.030 -12.322 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -7.019 -5.287 -11.327 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.978 -6.847 -12.493 1.00 0.00 H new ATOM 1856 N GLU A 116 -14.202 -5.575 -9.604 1.00 0.00 N ATOM 1857 CA GLU A 116 -15.508 -5.432 -8.965 1.00 0.00 C ATOM 1858 C GLU A 116 -15.695 -6.436 -7.832 1.00 0.00 C ATOM 1859 O GLU A 116 -16.760 -6.497 -7.218 1.00 0.00 O ATOM 1860 CB GLU A 116 -16.617 -5.618 -9.997 1.00 0.00 C ATOM 1861 CG GLU A 116 -16.298 -5.008 -11.351 1.00 0.00 C ATOM 1862 CD GLU A 116 -17.543 -4.603 -12.117 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -17.755 -5.135 -13.227 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -18.304 -3.756 -11.606 1.00 0.00 O ATOM 0 H GLU A 116 -13.985 -6.521 -9.917 1.00 0.00 H new ATOM 0 HA GLU A 116 -15.559 -4.429 -8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.808 -6.684 -10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.536 -5.173 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -15.662 -4.134 -11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.729 -5.725 -11.943 1.00 0.00 H new ATOM 1871 N SER A 117 -14.666 -7.231 -7.565 1.00 0.00 N ATOM 1872 CA SER A 117 -14.738 -8.239 -6.510 1.00 0.00 C ATOM 1873 C SER A 117 -13.765 -7.937 -5.373 1.00 0.00 C ATOM 1874 O SER A 117 -14.103 -7.202 -4.445 1.00 0.00 O ATOM 1875 CB SER A 117 -14.476 -9.631 -7.091 1.00 0.00 C ATOM 1876 OG SER A 117 -13.572 -9.567 -8.180 1.00 0.00 O ATOM 0 H SER A 117 -13.775 -7.199 -8.061 1.00 0.00 H new ATOM 0 HA SER A 117 -15.744 -8.214 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.071 -10.282 -6.316 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.416 -10.074 -7.420 1.00 0.00 H new ATOM 0 HG SER A 117 -13.530 -10.441 -8.622 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.563 -8.514 -5.439 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.548 -8.315 -4.399 1.00 0.00 C ATOM 1884 C ASN A 118 -12.181 -8.347 -3.011 1.00 0.00 C ATOM 1885 O ASN A 118 -11.735 -7.649 -2.100 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.818 -6.986 -4.612 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.771 -5.816 -4.768 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -12.049 -5.371 -5.881 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -12.276 -5.311 -3.648 1.00 0.00 N ATOM 0 H ASN A 118 -12.268 -9.123 -6.202 1.00 0.00 H new ATOM 0 HA ASN A 118 -10.827 -9.129 -4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.155 -6.800 -3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -10.190 -7.059 -5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.922 -4.523 -3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -12.018 -5.712 -2.746 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.243 -9.137 -2.867 1.00 0.00 N ATOM 1897 CA ALA A 119 -13.955 -9.224 -1.597 1.00 0.00 C ATOM 1898 C ALA A 119 -13.840 -10.594 -0.928 1.00 0.00 C ATOM 1899 O ALA A 119 -14.784 -11.043 -0.277 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.417 -8.876 -1.818 1.00 0.00 C ATOM 0 H ALA A 119 -13.626 -9.722 -3.610 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.487 -8.511 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -15.953 -8.940 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.494 -7.862 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.854 -9.576 -2.530 1.00 0.00 H new ATOM 1906 N THR A 120 -12.692 -11.257 -1.059 1.00 0.00 N ATOM 1907 CA THR A 120 -12.512 -12.559 -0.422 1.00 0.00 C ATOM 1908 C THR A 120 -11.044 -12.788 -0.088 1.00 0.00 C ATOM 1909 O THR A 120 -10.155 -12.290 -0.778 1.00 0.00 O ATOM 1910 CB THR A 120 -13.053 -13.692 -1.309 1.00 0.00 C ATOM 1911 OG1 THR A 120 -12.004 -14.501 -1.808 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.861 -13.207 -2.497 1.00 0.00 C ATOM 0 H THR A 120 -11.888 -10.922 -1.589 1.00 0.00 H new ATOM 0 HA THR A 120 -13.084 -12.564 0.506 1.00 0.00 H new ATOM 0 HB THR A 120 -13.711 -14.262 -0.653 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.363 -15.132 -2.466 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.208 -14.063 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.719 -12.635 -2.144 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.237 -12.573 -3.127 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.788 -13.547 0.972 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.421 -13.837 1.396 1.00 0.00 C ATOM 1922 C ASN A 121 -8.708 -14.755 0.414 1.00 0.00 C ATOM 1923 O ASN A 121 -7.800 -15.498 0.789 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.417 -14.459 2.795 1.00 0.00 C ATOM 1925 CG ASN A 121 -8.047 -14.424 3.442 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -7.034 -14.234 2.771 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -8.011 -14.604 4.757 1.00 0.00 N ATOM 0 H ASN A 121 -11.509 -13.973 1.554 1.00 0.00 H new ATOM 0 HA ASN A 121 -8.879 -12.892 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -10.128 -13.927 3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -9.759 -15.492 2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -7.118 -14.588 5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -8.876 -14.759 5.274 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.106 -14.691 -0.849 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.494 -15.499 -1.880 1.00 0.00 C ATOM 1936 C GLU A 122 -8.976 -15.037 -3.244 1.00 0.00 C ATOM 1937 O GLU A 122 -9.021 -15.817 -4.196 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.822 -16.979 -1.674 1.00 0.00 C ATOM 1939 CG GLU A 122 -10.304 -17.295 -1.787 1.00 0.00 C ATOM 1940 CD GLU A 122 -10.574 -18.558 -2.579 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -11.394 -19.383 -2.123 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -9.966 -18.723 -3.657 1.00 0.00 O ATOM 0 H GLU A 122 -9.855 -14.082 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.412 -15.381 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.276 -17.569 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.467 -17.288 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -10.726 -17.401 -0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.815 -16.457 -2.262 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.345 -13.761 -3.333 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.833 -13.204 -4.572 1.00 0.00 C ATOM 1951 C LEU A 123 -9.131 -11.888 -4.848 1.00 0.00 C ATOM 1952 O LEU A 123 -8.598 -11.670 -5.935 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.337 -13.012 -4.479 1.00 0.00 C ATOM 1954 CG LEU A 123 -12.023 -12.689 -5.790 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.526 -12.792 -5.620 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.617 -11.305 -6.252 1.00 0.00 C ATOM 0 H LEU A 123 -9.312 -13.101 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.621 -13.884 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.779 -13.920 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.543 -12.209 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.717 -13.406 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -14.016 -12.559 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.789 -13.805 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.855 -12.086 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -12.113 -11.076 -7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -11.909 -10.571 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.537 -11.271 -6.392 1.00 0.00 H new ATOM 1968 N LEU A 124 -9.107 -11.018 -3.847 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.431 -9.739 -3.979 1.00 0.00 C ATOM 1970 C LEU A 124 -6.991 -9.987 -4.406 1.00 0.00 C ATOM 1971 O LEU A 124 -6.481 -9.348 -5.324 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.502 -8.969 -2.662 1.00 0.00 C ATOM 1973 CG LEU A 124 -7.178 -8.780 -1.921 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -7.097 -7.384 -1.353 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -7.030 -9.821 -0.824 1.00 0.00 C ATOM 0 H LEU A 124 -9.546 -11.175 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.921 -9.130 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.927 -7.985 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.195 -9.486 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.357 -8.913 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.150 -7.259 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.160 -6.657 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.922 -7.226 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.082 -9.672 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.851 -9.720 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.051 -10.818 -1.264 1.00 0.00 H new ATOM 1987 N SER A 125 -6.351 -10.945 -3.736 1.00 0.00 N ATOM 1988 CA SER A 125 -4.974 -11.309 -4.054 1.00 0.00 C ATOM 1989 C SER A 125 -4.808 -11.495 -5.561 1.00 0.00 C ATOM 1990 O SER A 125 -3.732 -11.263 -6.120 1.00 0.00 O ATOM 1991 CB SER A 125 -4.591 -12.602 -3.332 1.00 0.00 C ATOM 1992 OG SER A 125 -3.372 -13.125 -3.833 1.00 0.00 O ATOM 0 H SER A 125 -6.764 -11.480 -2.972 1.00 0.00 H new ATOM 0 HA SER A 125 -4.319 -10.504 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 125 -4.496 -12.411 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.384 -13.339 -3.455 1.00 0.00 H new ATOM 0 HG SER A 125 -2.632 -12.537 -3.573 1.00 0.00 H new ATOM 1998 N SER A 126 -5.889 -11.911 -6.212 1.00 0.00 N ATOM 1999 CA SER A 126 -5.880 -12.129 -7.650 1.00 0.00 C ATOM 2000 C SER A 126 -5.520 -10.859 -8.389 1.00 0.00 C ATOM 2001 O SER A 126 -4.551 -10.818 -9.148 1.00 0.00 O ATOM 2002 CB SER A 126 -7.253 -12.606 -8.108 1.00 0.00 C ATOM 2003 OG SER A 126 -7.151 -13.516 -9.189 1.00 0.00 O ATOM 0 H SER A 126 -6.784 -12.104 -5.763 1.00 0.00 H new ATOM 0 HA SER A 126 -5.130 -12.887 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.770 -13.084 -7.276 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.856 -11.749 -8.408 1.00 0.00 H new ATOM 0 HG SER A 126 -8.048 -13.805 -9.459 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.305 -9.822 -8.160 1.00 0.00 N ATOM 2010 CA HIS A 127 -6.067 -8.547 -8.805 1.00 0.00 C ATOM 2011 C HIS A 127 -4.663 -8.068 -8.484 1.00 0.00 C ATOM 2012 O HIS A 127 -3.987 -7.492 -9.328 1.00 0.00 O ATOM 2013 CB HIS A 127 -7.105 -7.515 -8.361 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.503 -8.047 -8.306 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -9.034 -9.200 -8.782 1.00 0.00 N flip ATOM 2016 CD2 HIS A 127 -9.542 -7.368 -7.707 1.00 0.00 C flip ATOM 2017 CE1 HIS A 127 -10.369 -9.194 -8.464 1.00 0.00 C flip ATOM 2018 NE2 HIS A 127 -10.651 -8.079 -7.816 1.00 0.00 N flip ATOM 0 H HIS A 127 -7.110 -9.839 -7.534 1.00 0.00 H new ATOM 0 HA HIS A 127 -6.161 -8.672 -9.884 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -6.831 -7.139 -7.375 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -7.076 -6.667 -9.045 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -8.535 -9.935 -9.283 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -9.463 -6.405 -7.224 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -11.075 -9.975 -8.705 1.00 0.00 H new ATOM 2027 N VAL A 128 -4.216 -8.329 -7.264 1.00 0.00 N ATOM 2028 CA VAL A 128 -2.876 -7.933 -6.857 1.00 0.00 C ATOM 2029 C VAL A 128 -1.851 -8.429 -7.868 1.00 0.00 C ATOM 2030 O VAL A 128 -0.996 -7.667 -8.320 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.514 -8.475 -5.462 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -1.143 -7.964 -5.024 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.585 -8.093 -4.451 1.00 0.00 C ATOM 0 H VAL A 128 -4.756 -8.809 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.862 -6.844 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.466 -9.563 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -0.906 -8.359 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.387 -8.293 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.156 -6.875 -4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.315 -8.483 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.666 -7.007 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.542 -8.514 -4.758 1.00 0.00 H new ATOM 2043 N GLY A 129 -1.950 -9.707 -8.233 1.00 0.00 N ATOM 2044 CA GLY A 129 -1.018 -10.262 -9.198 1.00 0.00 C ATOM 2045 C GLY A 129 -1.271 -9.758 -10.608 1.00 0.00 C ATOM 2046 O GLY A 129 -0.348 -9.316 -11.292 1.00 0.00 O ATOM 0 H GLY A 129 -2.651 -10.360 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.000 -10.008 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.092 -11.349 -9.186 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.526 -9.817 -11.041 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.897 -9.356 -12.375 1.00 0.00 C ATOM 2052 C GLN A 130 -2.655 -7.855 -12.514 1.00 0.00 C ATOM 2053 O GLN A 130 -2.515 -7.340 -13.625 1.00 0.00 O ATOM 2054 CB GLN A 130 -4.366 -9.677 -12.659 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.578 -11.038 -13.301 1.00 0.00 C ATOM 2056 CD GLN A 130 -4.263 -12.182 -12.357 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -2.978 -12.394 -12.092 1.00 0.00 O flip ATOM 2058 NE2 GLN A 130 -5.163 -12.868 -11.869 1.00 0.00 N flip ATOM 0 H GLN A 130 -3.303 -10.179 -10.488 1.00 0.00 H new ATOM 0 HA GLN A 130 -2.273 -9.877 -13.101 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.926 -9.634 -11.725 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.777 -8.908 -13.313 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -5.612 -11.121 -13.635 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -3.949 -11.120 -14.188 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -6.137 -12.671 -12.099 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -4.934 -13.633 -11.235 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.584 -7.166 -11.380 1.00 0.00 N ATOM 2068 CA ILE A 131 -2.333 -5.733 -11.367 1.00 0.00 C ATOM 2069 C ILE A 131 -0.833 -5.493 -11.278 1.00 0.00 C ATOM 2070 O ILE A 131 -0.313 -4.491 -11.771 1.00 0.00 O ATOM 2071 CB ILE A 131 -3.077 -5.057 -10.196 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.581 -5.174 -10.416 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.692 -3.589 -10.048 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -5.381 -4.949 -9.161 1.00 0.00 C ATOM 0 H ILE A 131 -2.698 -7.581 -10.455 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.710 -5.289 -12.288 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.790 -5.568 -9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.889 -4.450 -11.171 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.808 -6.164 -10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.239 -3.152 -9.212 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.621 -3.511 -9.862 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.941 -3.053 -10.964 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.443 -5.046 -9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.099 -5.689 -8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -5.181 -3.949 -8.776 1.00 0.00 H new ATOM 2086 N LEU A 132 -0.142 -6.452 -10.665 1.00 0.00 N ATOM 2087 CA LEU A 132 1.304 -6.400 -10.522 1.00 0.00 C ATOM 2088 C LEU A 132 1.964 -6.389 -11.895 1.00 0.00 C ATOM 2089 O LEU A 132 2.900 -5.630 -12.145 1.00 0.00 O ATOM 2090 CB LEU A 132 1.796 -7.611 -9.726 1.00 0.00 C ATOM 2091 CG LEU A 132 1.890 -7.403 -8.217 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.529 -8.680 -7.475 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.287 -6.943 -7.841 1.00 0.00 C ATOM 0 H LEU A 132 -0.571 -7.282 -10.256 1.00 0.00 H new ATOM 0 HA LEU A 132 1.571 -5.488 -9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.127 -8.449 -9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.780 -7.896 -10.099 1.00 0.00 H new ATOM 0 HG LEU A 132 1.177 -6.631 -7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.602 -8.510 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.509 -8.972 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 132 2.216 -9.475 -7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.344 -6.797 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.013 -7.698 -8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 132 3.509 -6.003 -8.346 1.00 0.00 H new ATOM 2105 N ASP A 133 1.464 -7.242 -12.784 1.00 0.00 N ATOM 2106 CA ASP A 133 1.997 -7.334 -14.136 1.00 0.00 C ATOM 2107 C ASP A 133 1.854 -6.000 -14.862 1.00 0.00 C ATOM 2108 O ASP A 133 2.671 -5.655 -15.716 1.00 0.00 O ATOM 2109 CB ASP A 133 1.279 -8.437 -14.919 1.00 0.00 C ATOM 2110 CG ASP A 133 2.240 -9.292 -15.722 1.00 0.00 C ATOM 2111 OD1 ASP A 133 3.408 -9.431 -15.302 1.00 0.00 O ATOM 2112 OD2 ASP A 133 1.823 -9.823 -16.773 1.00 0.00 O ATOM 0 H ASP A 133 0.691 -7.879 -12.591 1.00 0.00 H new ATOM 0 HA ASP A 133 3.056 -7.582 -14.069 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.725 -9.070 -14.226 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.549 -7.986 -15.591 1.00 0.00 H new ATOM 2117 N SER A 134 0.809 -5.255 -14.514 1.00 0.00 N ATOM 2118 CA SER A 134 0.557 -3.957 -15.128 1.00 0.00 C ATOM 2119 C SER A 134 0.959 -2.817 -14.193 1.00 0.00 C ATOM 2120 O SER A 134 0.556 -1.671 -14.393 1.00 0.00 O ATOM 2121 CB SER A 134 -0.919 -3.828 -15.501 1.00 0.00 C ATOM 2122 OG SER A 134 -1.078 -3.132 -16.725 1.00 0.00 O ATOM 0 H SER A 134 0.123 -5.529 -13.810 1.00 0.00 H new ATOM 0 HA SER A 134 1.164 -3.888 -16.031 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.364 -4.819 -15.583 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.453 -3.303 -14.709 1.00 0.00 H new ATOM 0 HG SER A 134 -2.031 -3.065 -16.942 1.00 0.00 H new ATOM 2128 N PHE A 135 1.755 -3.134 -13.176 1.00 0.00 N ATOM 2129 CA PHE A 135 2.207 -2.130 -12.218 1.00 0.00 C ATOM 2130 C PHE A 135 3.501 -1.477 -12.700 1.00 0.00 C ATOM 2131 O PHE A 135 3.659 -0.258 -12.624 1.00 0.00 O ATOM 2132 CB PHE A 135 2.402 -2.770 -10.835 1.00 0.00 C ATOM 2133 CG PHE A 135 3.478 -2.130 -10.000 1.00 0.00 C ATOM 2134 CD1 PHE A 135 4.532 -2.885 -9.509 1.00 0.00 C ATOM 2135 CD2 PHE A 135 3.434 -0.777 -9.707 1.00 0.00 C ATOM 2136 CE1 PHE A 135 5.522 -2.301 -8.743 1.00 0.00 C ATOM 2137 CE2 PHE A 135 4.423 -0.186 -8.941 1.00 0.00 C ATOM 2138 CZ PHE A 135 5.468 -0.950 -8.459 1.00 0.00 C ATOM 0 H PHE A 135 2.100 -4.077 -12.994 1.00 0.00 H new ATOM 0 HA PHE A 135 1.446 -1.354 -12.136 1.00 0.00 H new ATOM 0 HB2 PHE A 135 1.459 -2.722 -10.290 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.641 -3.825 -10.967 1.00 0.00 H new ATOM 0 HD1 PHE A 135 4.580 -3.942 -9.728 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.618 -0.176 -10.081 1.00 0.00 H new ATOM 0 HE1 PHE A 135 6.338 -2.900 -8.366 1.00 0.00 H new ATOM 0 HE2 PHE A 135 4.378 0.870 -8.720 1.00 0.00 H new ATOM 0 HZ PHE A 135 6.242 -0.492 -7.861 1.00 0.00 H new