USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 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 70 ASN : amide:sc= -1.87 K(o=-3.5,f=2.1) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= -1.66 USER MOD Set 2.1: A 48 GLN : amide:sc= -3.83! C(o=-6.5!,f=-3.9!) USER MOD Set 2.2: A 49 ASN : amide:sc= -2.64! C(o=-6.5!,f=-6.7!) USER MOD Set 3.1: A 27 SER OG : rot -91:sc= 0.701 USER MOD Set 3.2: A 75 ASN : amide:sc= -3.92! C(o=-3.2!,f=-22!) USER MOD Single : A 7 SER OG : rot 160:sc= -0.531! USER MOD Single : A 8 TYR OH : rot 179:sc= 0.303 USER MOD Single : A 13 THR OG1 : rot -1:sc= -0.621! USER MOD Single : A 14 MET CE :methyl 177:sc= -0.0729 (180deg=-0.0959) USER MOD Single : A 18 GLN : amide:sc= -0.791 K(o=-0.79,f=-2.8!) USER MOD Single : A 19 SER OG : rot 39:sc= -1.14! USER MOD Single : A 21 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.6!) USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= 1.08 (180deg=-1.06) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 31:sc= 0.43 USER MOD Single : A 30 CYS SG : rot 31:sc= 1.22 USER MOD Single : A 34 SER OG : rot 180:sc= -0.15 USER MOD Single : A 35 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -133:sc= 0.687 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -124:sc= 0.0661 USER MOD Single : A 53 HIS : no HD1:sc= -0.278 K(o=-0.28,f=-1.4) USER MOD Single : A 54 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.51) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.0422 K(o=0.042,f=-0.9) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.3!) USER MOD Single : A 83 SER OG : rot -150:sc= -0.294 USER MOD Single : A 86 MET CE :methyl 159:sc= -1.26 (180deg=-1.78) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 9.269 -8.371 5.438 1.00 0.00 N ATOM 89 CA SER A 7 10.421 -7.679 5.989 1.00 0.00 C ATOM 90 C SER A 7 11.555 -7.648 4.961 1.00 0.00 C ATOM 91 O SER A 7 11.408 -8.165 3.855 1.00 0.00 O ATOM 92 CB SER A 7 10.896 -8.342 7.283 1.00 0.00 C ATOM 93 OG SER A 7 12.212 -7.930 7.643 1.00 0.00 O ATOM 0 HA SER A 7 10.124 -6.657 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.206 -8.097 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.875 -9.425 7.164 1.00 0.00 H new ATOM 0 HG SER A 7 12.359 -8.102 8.597 1.00 0.00 H new ATOM 99 N TYR A 8 12.659 -7.038 5.364 1.00 0.00 N ATOM 100 CA TYR A 8 13.817 -6.934 4.492 1.00 0.00 C ATOM 101 C TYR A 8 14.628 -8.231 4.499 1.00 0.00 C ATOM 102 O TYR A 8 15.350 -8.521 3.547 1.00 0.00 O ATOM 103 CB TYR A 8 14.677 -5.805 5.065 1.00 0.00 C ATOM 104 CG TYR A 8 14.235 -4.406 4.633 1.00 0.00 C ATOM 105 CD1 TYR A 8 14.747 -3.845 3.481 1.00 0.00 C ATOM 106 CD2 TYR A 8 13.325 -3.703 5.397 1.00 0.00 C ATOM 107 CE1 TYR A 8 14.332 -2.528 3.075 1.00 0.00 C ATOM 108 CE2 TYR A 8 12.909 -2.385 4.990 1.00 0.00 C ATOM 109 CZ TYR A 8 13.433 -1.863 3.849 1.00 0.00 C ATOM 110 OH TYR A 8 13.041 -0.618 3.466 1.00 0.00 O ATOM 0 H TYR A 8 12.777 -6.611 6.283 1.00 0.00 H new ATOM 0 HA TYR A 8 13.507 -6.743 3.465 1.00 0.00 H new ATOM 0 HB2 TYR A 8 14.655 -5.862 6.153 1.00 0.00 H new ATOM 0 HB3 TYR A 8 15.712 -5.959 4.759 1.00 0.00 H new ATOM 0 HD1 TYR A 8 15.460 -4.394 2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 8 12.925 -4.141 6.300 1.00 0.00 H new ATOM 0 HE1 TYR A 8 14.726 -2.078 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 8 12.197 -1.824 5.578 1.00 0.00 H new ATOM 0 HH TYR A 8 12.384 -0.271 4.105 1.00 0.00 H new ATOM 120 N ILE A 9 14.480 -8.977 5.584 1.00 0.00 N ATOM 121 CA ILE A 9 15.190 -10.237 5.728 1.00 0.00 C ATOM 122 C ILE A 9 15.178 -10.980 4.391 1.00 0.00 C ATOM 123 O ILE A 9 16.169 -11.604 4.014 1.00 0.00 O ATOM 124 CB ILE A 9 14.610 -11.049 6.888 1.00 0.00 C ATOM 125 CG1 ILE A 9 13.179 -11.495 6.584 1.00 0.00 C ATOM 126 CG2 ILE A 9 14.701 -10.269 8.202 1.00 0.00 C ATOM 127 CD1 ILE A 9 13.170 -12.811 5.802 1.00 0.00 C ATOM 0 H ILE A 9 13.879 -8.733 6.371 1.00 0.00 H new ATOM 0 HA ILE A 9 16.234 -10.059 5.985 1.00 0.00 H new ATOM 0 HB ILE A 9 15.209 -11.952 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.627 -11.617 7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.668 -10.723 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.282 -10.868 9.011 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.745 -10.044 8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.141 -9.338 8.112 1.00 0.00 H new ATOM 0 HD11 ILE A 9 12.141 -13.106 5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 9 13.702 -12.678 4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.661 -13.587 6.390 1.00 0.00 H new ATOM 139 N ALA A 10 14.045 -10.888 3.710 1.00 0.00 N ATOM 140 CA ALA A 10 13.891 -11.544 2.423 1.00 0.00 C ATOM 141 C ALA A 10 14.910 -10.970 1.437 1.00 0.00 C ATOM 142 O ALA A 10 15.654 -11.716 0.802 1.00 0.00 O ATOM 143 CB ALA A 10 12.450 -11.378 1.934 1.00 0.00 C ATOM 0 H ALA A 10 13.225 -10.369 4.025 1.00 0.00 H new ATOM 0 HA ALA A 10 14.084 -12.613 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.334 -11.870 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.767 -11.828 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.221 -10.317 1.830 1.00 0.00 H new ATOM 149 N LEU A 11 14.912 -9.649 1.339 1.00 0.00 N ATOM 150 CA LEU A 11 15.828 -8.966 0.442 1.00 0.00 C ATOM 151 C LEU A 11 17.268 -9.293 0.843 1.00 0.00 C ATOM 152 O LEU A 11 18.146 -9.397 -0.012 1.00 0.00 O ATOM 153 CB LEU A 11 15.525 -7.466 0.406 1.00 0.00 C ATOM 154 CG LEU A 11 14.466 -7.019 -0.603 1.00 0.00 C ATOM 155 CD1 LEU A 11 14.101 -5.548 -0.400 1.00 0.00 C ATOM 156 CD2 LEU A 11 14.920 -7.305 -2.036 1.00 0.00 C ATOM 0 H LEU A 11 14.293 -9.033 1.866 1.00 0.00 H new ATOM 0 HA LEU A 11 15.694 -9.320 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.204 -7.157 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.451 -6.934 0.190 1.00 0.00 H new ATOM 0 HG LEU A 11 13.561 -7.601 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.346 -5.256 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.706 -5.407 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.990 -4.931 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.149 -6.978 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.846 -6.766 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.089 -8.375 -2.157 1.00 0.00 H new ATOM 168 N ILE A 12 17.465 -9.446 2.144 1.00 0.00 N ATOM 169 CA ILE A 12 18.783 -9.760 2.669 1.00 0.00 C ATOM 170 C ILE A 12 19.213 -11.140 2.167 1.00 0.00 C ATOM 171 O ILE A 12 20.225 -11.267 1.481 1.00 0.00 O ATOM 172 CB ILE A 12 18.798 -9.628 4.194 1.00 0.00 C ATOM 173 CG1 ILE A 12 18.332 -8.237 4.628 1.00 0.00 C ATOM 174 CG2 ILE A 12 20.176 -9.974 4.761 1.00 0.00 C ATOM 175 CD1 ILE A 12 19.013 -7.146 3.800 1.00 0.00 C ATOM 0 H ILE A 12 16.734 -9.358 2.850 1.00 0.00 H new ATOM 0 HA ILE A 12 19.519 -9.044 2.303 1.00 0.00 H new ATOM 0 HB ILE A 12 18.091 -10.348 4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 12 17.250 -8.161 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 12 18.555 -8.089 5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 12 20.159 -9.872 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 12 20.431 -11.000 4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 12 20.921 -9.296 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 12 18.663 -6.168 4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 12 20.093 -7.209 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 12 18.768 -7.283 2.747 1.00 0.00 H new ATOM 187 N THR A 13 18.421 -12.138 2.529 1.00 0.00 N ATOM 188 CA THR A 13 18.706 -13.504 2.124 1.00 0.00 C ATOM 189 C THR A 13 19.068 -13.555 0.638 1.00 0.00 C ATOM 190 O THR A 13 19.935 -14.328 0.233 1.00 0.00 O ATOM 191 CB THR A 13 17.495 -14.367 2.484 1.00 0.00 C ATOM 192 OG1 THR A 13 16.386 -13.646 1.955 1.00 0.00 O ATOM 193 CG2 THR A 13 17.231 -14.406 3.990 1.00 0.00 C ATOM 0 H THR A 13 17.582 -12.028 3.098 1.00 0.00 H new ATOM 0 HA THR A 13 19.574 -13.900 2.652 1.00 0.00 H new ATOM 0 HB THR A 13 17.650 -15.382 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.703 -12.819 1.536 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.361 -15.032 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.101 -14.819 4.501 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.042 -13.396 4.353 1.00 0.00 H new ATOM 201 N MET A 14 18.387 -12.721 -0.133 1.00 0.00 N ATOM 202 CA MET A 14 18.625 -12.661 -1.565 1.00 0.00 C ATOM 203 C MET A 14 19.878 -11.839 -1.878 1.00 0.00 C ATOM 204 O MET A 14 20.550 -12.083 -2.879 1.00 0.00 O ATOM 205 CB MET A 14 17.415 -12.032 -2.259 1.00 0.00 C ATOM 206 CG MET A 14 17.435 -12.319 -3.762 1.00 0.00 C ATOM 207 SD MET A 14 15.886 -11.824 -4.498 1.00 0.00 S ATOM 208 CE MET A 14 16.188 -10.078 -4.711 1.00 0.00 C ATOM 0 H MET A 14 17.670 -12.081 0.207 1.00 0.00 H new ATOM 0 HA MET A 14 18.777 -13.676 -1.932 1.00 0.00 H new ATOM 0 HB2 MET A 14 16.496 -12.424 -1.822 1.00 0.00 H new ATOM 0 HB3 MET A 14 17.414 -10.955 -2.091 1.00 0.00 H new ATOM 0 HG2 MET A 14 18.259 -11.782 -4.232 1.00 0.00 H new ATOM 0 HG3 MET A 14 17.607 -13.381 -3.936 1.00 0.00 H new ATOM 0 HE1 MET A 14 15.335 -9.620 -5.211 1.00 0.00 H new ATOM 0 HE2 MET A 14 16.330 -9.612 -3.736 1.00 0.00 H new ATOM 0 HE3 MET A 14 17.083 -9.935 -5.316 1.00 0.00 H new ATOM 218 N ALA A 15 20.153 -10.883 -1.004 1.00 0.00 N ATOM 219 CA ALA A 15 21.312 -10.024 -1.174 1.00 0.00 C ATOM 220 C ALA A 15 22.586 -10.851 -0.986 1.00 0.00 C ATOM 221 O ALA A 15 23.592 -10.607 -1.650 1.00 0.00 O ATOM 222 CB ALA A 15 21.228 -8.852 -0.194 1.00 0.00 C ATOM 0 H ALA A 15 19.593 -10.684 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 15 21.335 -9.606 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 15 22.098 -8.208 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 15 20.321 -8.280 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 15 21.205 -9.233 0.827 1.00 0.00 H new ATOM 228 N ILE A 16 22.501 -11.811 -0.078 1.00 0.00 N ATOM 229 CA ILE A 16 23.634 -12.675 0.206 1.00 0.00 C ATOM 230 C ILE A 16 23.667 -13.817 -0.812 1.00 0.00 C ATOM 231 O ILE A 16 24.713 -14.107 -1.390 1.00 0.00 O ATOM 232 CB ILE A 16 23.596 -13.149 1.661 1.00 0.00 C ATOM 233 CG1 ILE A 16 24.141 -12.073 2.602 1.00 0.00 C ATOM 234 CG2 ILE A 16 24.333 -14.480 1.823 1.00 0.00 C ATOM 235 CD1 ILE A 16 23.257 -10.824 2.578 1.00 0.00 C ATOM 0 H ILE A 16 21.665 -12.010 0.471 1.00 0.00 H new ATOM 0 HA ILE A 16 24.569 -12.124 0.099 1.00 0.00 H new ATOM 0 HB ILE A 16 22.556 -13.322 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 16 24.194 -12.466 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 16 25.157 -11.809 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 16 24.291 -14.794 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 16 23.860 -15.236 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.374 -14.359 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 16 23.667 -10.075 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 16 23.226 -10.420 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.248 -11.086 2.895 1.00 0.00 H new ATOM 247 N LEU A 17 22.510 -14.433 -0.999 1.00 0.00 N ATOM 248 CA LEU A 17 22.393 -15.537 -1.937 1.00 0.00 C ATOM 249 C LEU A 17 22.862 -15.078 -3.319 1.00 0.00 C ATOM 250 O LEU A 17 23.696 -15.731 -3.944 1.00 0.00 O ATOM 251 CB LEU A 17 20.970 -16.100 -1.927 1.00 0.00 C ATOM 252 CG LEU A 17 20.709 -17.243 -0.944 1.00 0.00 C ATOM 253 CD1 LEU A 17 21.400 -18.529 -1.400 1.00 0.00 C ATOM 254 CD2 LEU A 17 21.115 -16.847 0.477 1.00 0.00 C ATOM 0 H LEU A 17 21.645 -14.189 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 17 23.040 -16.361 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.280 -15.287 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 17 20.731 -16.449 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 17 19.637 -17.442 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 17 21.198 -19.325 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 17 21.020 -18.818 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 17 22.475 -18.362 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 17 20.919 -17.677 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 17 22.177 -16.604 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 17 20.538 -15.977 0.791 1.00 0.00 H new ATOM 266 N GLN A 18 22.307 -13.957 -3.756 1.00 0.00 N ATOM 267 CA GLN A 18 22.658 -13.403 -5.052 1.00 0.00 C ATOM 268 C GLN A 18 24.179 -13.371 -5.221 1.00 0.00 C ATOM 269 O GLN A 18 24.684 -13.453 -6.340 1.00 0.00 O ATOM 270 CB GLN A 18 22.057 -12.008 -5.233 1.00 0.00 C ATOM 271 CG GLN A 18 22.767 -10.985 -4.343 1.00 0.00 C ATOM 272 CD GLN A 18 23.780 -10.167 -5.148 1.00 0.00 C ATOM 273 OE1 GLN A 18 24.424 -10.655 -6.062 1.00 0.00 O ATOM 274 NE2 GLN A 18 23.883 -8.900 -4.758 1.00 0.00 N ATOM 0 H GLN A 18 21.616 -13.417 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 18 22.239 -14.046 -5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 18 22.139 -11.706 -6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 18 20.995 -12.031 -4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 18 22.032 -10.318 -3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 18 23.275 -11.498 -3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 18 23.313 -8.557 -3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 18 24.532 -8.272 -5.232 1.00 0.00 H new ATOM 283 N SER A 19 24.865 -13.253 -4.094 1.00 0.00 N ATOM 284 CA SER A 19 26.317 -13.210 -4.104 1.00 0.00 C ATOM 285 C SER A 19 26.881 -14.391 -3.311 1.00 0.00 C ATOM 286 O SER A 19 27.341 -14.223 -2.182 1.00 0.00 O ATOM 287 CB SER A 19 26.833 -11.889 -3.527 1.00 0.00 C ATOM 288 OG SER A 19 26.434 -11.707 -2.172 1.00 0.00 O ATOM 0 H SER A 19 24.442 -13.186 -3.168 1.00 0.00 H new ATOM 0 HA SER A 19 26.654 -13.280 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 19 27.921 -11.866 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 19 26.461 -11.060 -4.129 1.00 0.00 H new ATOM 0 HG SER A 19 26.484 -12.564 -1.699 1.00 0.00 H new ATOM 294 N PRO A 20 26.827 -15.590 -3.950 1.00 0.00 N ATOM 295 CA PRO A 20 27.326 -16.799 -3.317 1.00 0.00 C ATOM 296 C PRO A 20 28.856 -16.827 -3.320 1.00 0.00 C ATOM 297 O PRO A 20 29.463 -17.818 -2.916 1.00 0.00 O ATOM 298 CB PRO A 20 26.709 -17.941 -4.107 1.00 0.00 C ATOM 299 CG PRO A 20 26.264 -17.340 -5.430 1.00 0.00 C ATOM 300 CD PRO A 20 26.290 -15.827 -5.287 1.00 0.00 C ATOM 0 HA PRO A 20 27.051 -16.867 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 20 27.432 -18.742 -4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 20 25.865 -18.375 -3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 20 26.925 -17.659 -6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 20 25.261 -17.682 -5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 20 26.916 -15.368 -6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 20 25.292 -15.402 -5.394 1.00 0.00 H new ATOM 308 N GLN A 21 29.436 -15.729 -3.782 1.00 0.00 N ATOM 309 CA GLN A 21 30.883 -15.616 -3.844 1.00 0.00 C ATOM 310 C GLN A 21 31.448 -15.277 -2.464 1.00 0.00 C ATOM 311 O GLN A 21 32.661 -15.306 -2.261 1.00 0.00 O ATOM 312 CB GLN A 21 31.308 -14.574 -4.881 1.00 0.00 C ATOM 313 CG GLN A 21 32.355 -15.148 -5.837 1.00 0.00 C ATOM 314 CD GLN A 21 31.706 -15.637 -7.133 1.00 0.00 C ATOM 315 OE1 GLN A 21 30.534 -15.418 -7.392 1.00 0.00 O ATOM 316 NE2 GLN A 21 32.530 -16.311 -7.931 1.00 0.00 N ATOM 0 H GLN A 21 28.930 -14.909 -4.117 1.00 0.00 H new ATOM 0 HA GLN A 21 31.290 -16.578 -4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 21 30.437 -14.242 -5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.713 -13.697 -4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 21 33.101 -14.386 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 21 32.879 -15.973 -5.355 1.00 0.00 H new ATOM 0 HE21 GLN A 21 33.500 -16.459 -7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 21 32.191 -16.680 -8.820 1.00 0.00 H new ATOM 325 N LYS A 22 30.542 -14.963 -1.549 1.00 0.00 N ATOM 326 CA LYS A 22 30.936 -14.619 -0.193 1.00 0.00 C ATOM 327 C LYS A 22 31.705 -13.296 -0.210 1.00 0.00 C ATOM 328 O LYS A 22 32.854 -13.237 0.225 1.00 0.00 O ATOM 329 CB LYS A 22 31.709 -15.772 0.449 1.00 0.00 C ATOM 330 CG LYS A 22 30.754 -16.793 1.071 1.00 0.00 C ATOM 331 CD LYS A 22 30.299 -17.821 0.034 1.00 0.00 C ATOM 332 CE LYS A 22 31.451 -18.748 -0.362 1.00 0.00 C ATOM 333 NZ LYS A 22 31.493 -18.925 -1.831 1.00 0.00 N ATOM 0 H LYS A 22 29.537 -14.940 -1.720 1.00 0.00 H new ATOM 0 HA LYS A 22 30.056 -14.469 0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.331 -16.260 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 22 32.380 -15.383 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 22 31.248 -17.301 1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 22 29.886 -16.279 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 22 29.476 -18.410 0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 22 29.920 -17.308 -0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.396 -18.333 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 22 31.330 -19.716 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.781 -19.899 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.550 -18.742 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 32.178 -18.258 -2.242 1.00 0.00 H new ATOM 347 N LYS A 23 31.040 -12.268 -0.717 1.00 0.00 N ATOM 348 CA LYS A 23 31.647 -10.950 -0.796 1.00 0.00 C ATOM 349 C LYS A 23 30.658 -9.976 -1.438 1.00 0.00 C ATOM 350 O LYS A 23 30.435 -10.019 -2.647 1.00 0.00 O ATOM 351 CB LYS A 23 32.994 -11.023 -1.517 1.00 0.00 C ATOM 352 CG LYS A 23 33.579 -9.626 -1.730 1.00 0.00 C ATOM 353 CD LYS A 23 35.107 -9.654 -1.658 1.00 0.00 C ATOM 354 CE LYS A 23 35.599 -9.217 -0.277 1.00 0.00 C ATOM 355 NZ LYS A 23 36.244 -7.887 -0.353 1.00 0.00 N ATOM 0 H LYS A 23 30.087 -12.321 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 23 31.866 -10.571 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.690 -11.627 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 23 32.869 -11.519 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 23 33.264 -9.240 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 23 33.188 -8.945 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 23 35.466 -10.660 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 23 35.523 -8.996 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 23 34.761 -9.182 0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 23 36.307 -9.949 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 36.572 -7.606 0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 37.056 -7.931 -1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 35.558 -7.188 -0.704 1.00 0.00 H new ATOM 369 N LEU A 24 30.091 -9.120 -0.600 1.00 0.00 N ATOM 370 CA LEU A 24 29.131 -8.136 -1.071 1.00 0.00 C ATOM 371 C LEU A 24 29.355 -6.816 -0.330 1.00 0.00 C ATOM 372 O LEU A 24 29.964 -6.796 0.738 1.00 0.00 O ATOM 373 CB LEU A 24 27.705 -8.677 -0.947 1.00 0.00 C ATOM 374 CG LEU A 24 27.353 -9.339 0.387 1.00 0.00 C ATOM 375 CD1 LEU A 24 25.846 -9.278 0.647 1.00 0.00 C ATOM 376 CD2 LEU A 24 27.887 -10.771 0.447 1.00 0.00 C ATOM 0 H LEU A 24 30.278 -9.088 0.402 1.00 0.00 H new ATOM 0 HA LEU A 24 29.280 -7.935 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 24 27.010 -7.855 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 24 27.542 -9.402 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 24 27.842 -8.780 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.622 -9.755 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 24 25.524 -8.237 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 24 25.318 -9.798 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 24 27.623 -11.218 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 24 27.448 -11.357 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 24 28.972 -10.760 0.339 1.00 0.00 H new ATOM 388 N THR A 25 28.850 -5.747 -0.927 1.00 0.00 N ATOM 389 CA THR A 25 28.987 -4.426 -0.337 1.00 0.00 C ATOM 390 C THR A 25 27.615 -3.869 0.047 1.00 0.00 C ATOM 391 O THR A 25 26.731 -3.746 -0.800 1.00 0.00 O ATOM 392 CB THR A 25 29.745 -3.542 -1.329 1.00 0.00 C ATOM 393 OG1 THR A 25 28.975 -3.621 -2.525 1.00 0.00 O ATOM 394 CG2 THR A 25 31.102 -4.131 -1.720 1.00 0.00 C ATOM 0 H THR A 25 28.345 -5.768 -1.813 1.00 0.00 H new ATOM 0 HA THR A 25 29.559 -4.464 0.590 1.00 0.00 H new ATOM 0 HB THR A 25 29.890 -2.553 -0.895 1.00 0.00 H new ATOM 0 HG1 THR A 25 28.030 -3.750 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 25 31.598 -3.465 -2.425 1.00 0.00 H new ATOM 0 HG22 THR A 25 31.721 -4.242 -0.829 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.955 -5.106 -2.184 1.00 0.00 H new ATOM 402 N LEU A 26 27.479 -3.546 1.325 1.00 0.00 N ATOM 403 CA LEU A 26 26.230 -3.005 1.832 1.00 0.00 C ATOM 404 C LEU A 26 25.738 -1.903 0.892 1.00 0.00 C ATOM 405 O LEU A 26 24.554 -1.846 0.563 1.00 0.00 O ATOM 406 CB LEU A 26 26.394 -2.548 3.283 1.00 0.00 C ATOM 407 CG LEU A 26 25.184 -1.848 3.907 1.00 0.00 C ATOM 408 CD1 LEU A 26 25.163 -0.362 3.543 1.00 0.00 C ATOM 409 CD2 LEU A 26 23.883 -2.552 3.518 1.00 0.00 C ATOM 0 H LEU A 26 28.214 -3.649 2.025 1.00 0.00 H new ATOM 0 HA LEU A 26 25.460 -3.776 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 26 26.639 -3.418 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 26 27.247 -1.872 3.336 1.00 0.00 H new ATOM 0 HG LEU A 26 25.273 -1.913 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 26 24.294 0.112 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 26 26.071 0.116 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 26 25.109 -0.253 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 26 23.039 -2.035 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 26 23.773 -2.540 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 26 23.909 -3.584 3.868 1.00 0.00 H new ATOM 421 N SER A 27 26.671 -1.055 0.487 1.00 0.00 N ATOM 422 CA SER A 27 26.347 0.042 -0.409 1.00 0.00 C ATOM 423 C SER A 27 25.713 -0.499 -1.692 1.00 0.00 C ATOM 424 O SER A 27 24.603 -0.110 -2.052 1.00 0.00 O ATOM 425 CB SER A 27 27.591 0.869 -0.740 1.00 0.00 C ATOM 426 OG SER A 27 28.581 0.098 -1.415 1.00 0.00 O ATOM 0 H SER A 27 27.652 -1.105 0.763 1.00 0.00 H new ATOM 0 HA SER A 27 25.633 0.694 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 27 27.307 1.718 -1.362 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.012 1.274 0.180 1.00 0.00 H new ATOM 0 HG SER A 27 29.185 -0.306 -0.758 1.00 0.00 H new ATOM 432 N GLY A 28 26.446 -1.388 -2.347 1.00 0.00 N ATOM 433 CA GLY A 28 25.969 -1.987 -3.582 1.00 0.00 C ATOM 434 C GLY A 28 24.618 -2.673 -3.372 1.00 0.00 C ATOM 435 O GLY A 28 23.768 -2.665 -4.262 1.00 0.00 O ATOM 0 H GLY A 28 27.367 -1.708 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.876 -1.220 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.697 -2.713 -3.943 1.00 0.00 H new ATOM 439 N ILE A 29 24.461 -3.252 -2.190 1.00 0.00 N ATOM 440 CA ILE A 29 23.228 -3.942 -1.852 1.00 0.00 C ATOM 441 C ILE A 29 22.078 -2.933 -1.811 1.00 0.00 C ATOM 442 O ILE A 29 21.041 -3.142 -2.438 1.00 0.00 O ATOM 443 CB ILE A 29 23.396 -4.736 -0.555 1.00 0.00 C ATOM 444 CG1 ILE A 29 23.675 -6.211 -0.848 1.00 0.00 C ATOM 445 CG2 ILE A 29 22.184 -4.552 0.361 1.00 0.00 C ATOM 446 CD1 ILE A 29 25.004 -6.381 -1.588 1.00 0.00 C ATOM 0 H ILE A 29 25.168 -3.257 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 29 22.981 -4.677 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 29 24.263 -4.344 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 29 23.700 -6.773 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 29 22.865 -6.626 -1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 29 22.329 -5.127 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 29 22.073 -3.497 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.286 -4.902 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 29 25.178 -7.439 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 29 24.967 -5.838 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 29 25.815 -5.987 -0.975 1.00 0.00 H new ATOM 458 N CYS A 30 22.302 -1.859 -1.068 1.00 0.00 N ATOM 459 CA CYS A 30 21.298 -0.817 -0.936 1.00 0.00 C ATOM 460 C CYS A 30 20.827 -0.425 -2.338 1.00 0.00 C ATOM 461 O CYS A 30 19.628 -0.293 -2.580 1.00 0.00 O ATOM 462 CB CYS A 30 21.831 0.386 -0.156 1.00 0.00 C ATOM 463 SG CYS A 30 20.532 1.669 -0.020 1.00 0.00 S ATOM 0 H CYS A 30 23.164 -1.688 -0.551 1.00 0.00 H new ATOM 0 HA CYS A 30 20.452 -1.193 -0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 30 22.150 0.073 0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 30 22.708 0.796 -0.658 1.00 0.00 H new ATOM 0 HG CYS A 30 19.363 1.101 0.014 1.00 0.00 H new ATOM 469 N GLU A 31 21.795 -0.249 -3.226 1.00 0.00 N ATOM 470 CA GLU A 31 21.494 0.125 -4.597 1.00 0.00 C ATOM 471 C GLU A 31 20.715 -0.992 -5.294 1.00 0.00 C ATOM 472 O GLU A 31 19.870 -0.726 -6.146 1.00 0.00 O ATOM 473 CB GLU A 31 22.773 0.464 -5.366 1.00 0.00 C ATOM 474 CG GLU A 31 22.446 1.065 -6.735 1.00 0.00 C ATOM 475 CD GLU A 31 22.213 2.573 -6.630 1.00 0.00 C ATOM 476 OE1 GLU A 31 21.468 2.969 -5.708 1.00 0.00 O ATOM 477 OE2 GLU A 31 22.785 3.296 -7.474 1.00 0.00 O ATOM 0 H GLU A 31 22.788 -0.359 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 31 20.871 1.019 -4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 31 23.373 1.168 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 31 23.374 -0.436 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 31 23.264 0.867 -7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 31 21.558 0.584 -7.145 1.00 0.00 H new ATOM 484 N PHE A 32 21.028 -2.220 -4.904 1.00 0.00 N ATOM 485 CA PHE A 32 20.367 -3.378 -5.481 1.00 0.00 C ATOM 486 C PHE A 32 18.928 -3.497 -4.975 1.00 0.00 C ATOM 487 O PHE A 32 18.084 -4.104 -5.633 1.00 0.00 O ATOM 488 CB PHE A 32 21.156 -4.611 -5.033 1.00 0.00 C ATOM 489 CG PHE A 32 20.285 -5.738 -4.475 1.00 0.00 C ATOM 490 CD1 PHE A 32 19.528 -6.493 -5.316 1.00 0.00 C ATOM 491 CD2 PHE A 32 20.267 -5.985 -3.138 1.00 0.00 C ATOM 492 CE1 PHE A 32 18.719 -7.539 -4.798 1.00 0.00 C ATOM 493 CE2 PHE A 32 19.459 -7.031 -2.620 1.00 0.00 C ATOM 494 CZ PHE A 32 18.702 -7.786 -3.461 1.00 0.00 C ATOM 0 H PHE A 32 21.730 -2.437 -4.196 1.00 0.00 H new ATOM 0 HA PHE A 32 20.335 -3.286 -6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 32 21.727 -4.992 -5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 32 21.877 -4.312 -4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.542 -6.297 -6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 32 20.868 -5.385 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 32 18.118 -8.138 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 32 19.445 -7.227 -1.558 1.00 0.00 H new ATOM 0 HZ PHE A 32 18.087 -8.582 -3.067 1.00 0.00 H new ATOM 504 N ILE A 33 18.693 -2.909 -3.812 1.00 0.00 N ATOM 505 CA ILE A 33 17.371 -2.941 -3.210 1.00 0.00 C ATOM 506 C ILE A 33 16.469 -1.926 -3.916 1.00 0.00 C ATOM 507 O ILE A 33 15.418 -2.286 -4.443 1.00 0.00 O ATOM 508 CB ILE A 33 17.465 -2.733 -1.698 1.00 0.00 C ATOM 509 CG1 ILE A 33 18.311 -3.827 -1.045 1.00 0.00 C ATOM 510 CG2 ILE A 33 16.073 -2.634 -1.070 1.00 0.00 C ATOM 511 CD1 ILE A 33 17.583 -5.172 -1.070 1.00 0.00 C ATOM 0 H ILE A 33 19.396 -2.407 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 33 16.915 -3.922 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 33 17.969 -1.784 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.264 -3.915 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 33 18.537 -3.551 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 33 16.169 -2.486 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.536 -1.791 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 33 15.521 -3.554 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 33 18.207 -5.932 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 33 16.642 -5.087 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 33 17.380 -5.457 -2.102 1.00 0.00 H new ATOM 523 N SER A 34 16.914 -0.678 -3.904 1.00 0.00 N ATOM 524 CA SER A 34 16.161 0.391 -4.536 1.00 0.00 C ATOM 525 C SER A 34 15.886 0.043 -6.000 1.00 0.00 C ATOM 526 O SER A 34 14.761 0.190 -6.477 1.00 0.00 O ATOM 527 CB SER A 34 16.907 1.723 -4.439 1.00 0.00 C ATOM 528 OG SER A 34 17.994 1.795 -5.359 1.00 0.00 O ATOM 0 H SER A 34 17.787 -0.384 -3.466 1.00 0.00 H new ATOM 0 HA SER A 34 15.212 0.498 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.214 2.542 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.282 1.856 -3.424 1.00 0.00 H new ATOM 0 HG SER A 34 18.444 2.661 -5.267 1.00 0.00 H new ATOM 534 N ASN A 35 16.932 -0.413 -6.674 1.00 0.00 N ATOM 535 CA ASN A 35 16.818 -0.784 -8.074 1.00 0.00 C ATOM 536 C ASN A 35 15.632 -1.734 -8.250 1.00 0.00 C ATOM 537 O ASN A 35 14.834 -1.572 -9.173 1.00 0.00 O ATOM 538 CB ASN A 35 18.077 -1.505 -8.557 1.00 0.00 C ATOM 539 CG ASN A 35 19.019 -0.540 -9.280 1.00 0.00 C ATOM 540 OD1 ASN A 35 18.607 0.448 -9.866 1.00 0.00 O ATOM 541 ND2 ASN A 35 20.303 -0.879 -9.205 1.00 0.00 N ATOM 0 H ASN A 35 17.863 -0.534 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 35 16.680 0.128 -8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 35 18.592 -1.953 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 35 17.800 -2.319 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 35 21.011 -0.298 -9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 35 20.580 -1.720 -8.698 1.00 0.00 H new ATOM 548 N ARG A 36 15.552 -2.703 -7.351 1.00 0.00 N ATOM 549 CA ARG A 36 14.477 -3.679 -7.395 1.00 0.00 C ATOM 550 C ARG A 36 13.138 -3.009 -7.079 1.00 0.00 C ATOM 551 O ARG A 36 12.172 -3.162 -7.823 1.00 0.00 O ATOM 552 CB ARG A 36 14.720 -4.813 -6.397 1.00 0.00 C ATOM 553 CG ARG A 36 15.912 -5.672 -6.824 1.00 0.00 C ATOM 554 CD ARG A 36 15.543 -6.575 -8.003 1.00 0.00 C ATOM 555 NE ARG A 36 16.120 -7.924 -7.808 1.00 0.00 N ATOM 556 CZ ARG A 36 17.383 -8.252 -8.112 1.00 0.00 C ATOM 557 NH1 ARG A 36 18.209 -7.330 -8.627 1.00 0.00 N ATOM 558 NH2 ARG A 36 17.820 -9.500 -7.901 1.00 0.00 N ATOM 0 H ARG A 36 16.215 -2.833 -6.587 1.00 0.00 H new ATOM 0 HA ARG A 36 14.450 -4.096 -8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.903 -4.397 -5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.827 -5.434 -6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.747 -5.029 -7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.245 -6.282 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.459 -6.644 -8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.914 -6.143 -8.933 1.00 0.00 H new ATOM 0 HE ARG A 36 15.518 -8.649 -7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.876 -6.379 -8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.171 -7.579 -8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.191 -10.201 -7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.782 -9.750 -8.132 1.00 0.00 H new ATOM 572 N PHE A 37 13.125 -2.280 -5.972 1.00 0.00 N ATOM 573 CA PHE A 37 11.921 -1.585 -5.548 1.00 0.00 C ATOM 574 C PHE A 37 12.189 -0.091 -5.355 1.00 0.00 C ATOM 575 O PHE A 37 12.738 0.317 -4.333 1.00 0.00 O ATOM 576 CB PHE A 37 11.502 -2.194 -4.208 1.00 0.00 C ATOM 577 CG PHE A 37 11.635 -3.717 -4.148 1.00 0.00 C ATOM 578 CD1 PHE A 37 11.357 -4.468 -5.247 1.00 0.00 C ATOM 579 CD2 PHE A 37 12.031 -4.320 -2.995 1.00 0.00 C ATOM 580 CE1 PHE A 37 11.480 -5.881 -5.192 1.00 0.00 C ATOM 581 CE2 PHE A 37 12.154 -5.733 -2.939 1.00 0.00 C ATOM 582 CZ PHE A 37 11.876 -6.484 -4.039 1.00 0.00 C ATOM 0 H PHE A 37 13.929 -2.156 -5.356 1.00 0.00 H new ATOM 0 HA PHE A 37 11.144 -1.692 -6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.108 -1.755 -3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.466 -1.922 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.042 -3.989 -6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.252 -3.724 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.259 -6.477 -6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.468 -6.212 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.970 -7.559 -3.997 1.00 0.00 H new ATOM 592 N PRO A 38 11.778 0.704 -6.379 1.00 0.00 N ATOM 593 CA PRO A 38 11.968 2.143 -6.332 1.00 0.00 C ATOM 594 C PRO A 38 10.967 2.797 -5.377 1.00 0.00 C ATOM 595 O PRO A 38 11.350 3.593 -4.520 1.00 0.00 O ATOM 596 CB PRO A 38 11.807 2.609 -7.770 1.00 0.00 C ATOM 597 CG PRO A 38 11.078 1.488 -8.492 1.00 0.00 C ATOM 598 CD PRO A 38 11.124 0.254 -7.604 1.00 0.00 C ATOM 0 HA PRO A 38 12.946 2.425 -5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.240 3.538 -7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.777 2.803 -8.229 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.046 1.773 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.549 1.284 -9.454 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.123 -0.126 -7.402 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.682 -0.554 -8.077 1.00 0.00 H new ATOM 606 N TYR A 39 9.705 2.437 -5.555 1.00 0.00 N ATOM 607 CA TYR A 39 8.646 2.979 -4.720 1.00 0.00 C ATOM 608 C TYR A 39 8.935 2.730 -3.238 1.00 0.00 C ATOM 609 O TYR A 39 8.648 3.578 -2.395 1.00 0.00 O ATOM 610 CB TYR A 39 7.373 2.227 -5.112 1.00 0.00 C ATOM 611 CG TYR A 39 7.448 0.715 -4.886 1.00 0.00 C ATOM 612 CD1 TYR A 39 7.163 0.189 -3.643 1.00 0.00 C ATOM 613 CD2 TYR A 39 7.801 -0.121 -5.925 1.00 0.00 C ATOM 614 CE1 TYR A 39 7.234 -1.234 -3.430 1.00 0.00 C ATOM 615 CE2 TYR A 39 7.872 -1.544 -5.713 1.00 0.00 C ATOM 616 CZ TYR A 39 7.585 -2.030 -4.475 1.00 0.00 C ATOM 617 OH TYR A 39 7.651 -3.373 -4.274 1.00 0.00 O ATOM 0 H TYR A 39 9.391 1.776 -6.266 1.00 0.00 H new ATOM 0 HA TYR A 39 8.557 4.056 -4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.536 2.628 -4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.161 2.417 -6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.887 0.844 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.024 0.292 -6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.013 -1.659 -2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.147 -2.210 -6.518 1.00 0.00 H new ATOM 0 HH TYR A 39 7.913 -3.816 -5.108 1.00 0.00 H new ATOM 627 N TYR A 40 9.501 1.563 -2.967 1.00 0.00 N ATOM 628 CA TYR A 40 9.832 1.191 -1.602 1.00 0.00 C ATOM 629 C TYR A 40 10.703 2.260 -0.939 1.00 0.00 C ATOM 630 O TYR A 40 10.509 2.587 0.231 1.00 0.00 O ATOM 631 CB TYR A 40 10.630 -0.110 -1.700 1.00 0.00 C ATOM 632 CG TYR A 40 10.577 -0.970 -0.436 1.00 0.00 C ATOM 633 CD1 TYR A 40 9.386 -1.127 0.243 1.00 0.00 C ATOM 634 CD2 TYR A 40 11.721 -1.589 0.026 1.00 0.00 C ATOM 635 CE1 TYR A 40 9.336 -1.936 1.433 1.00 0.00 C ATOM 636 CE2 TYR A 40 11.671 -2.398 1.217 1.00 0.00 C ATOM 637 CZ TYR A 40 10.481 -2.531 1.861 1.00 0.00 C ATOM 638 OH TYR A 40 10.434 -3.295 2.985 1.00 0.00 O ATOM 0 H TYR A 40 9.739 0.863 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 40 8.927 1.082 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.252 -0.693 -2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 40 11.670 0.130 -1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.491 -0.643 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 40 12.653 -1.467 -0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.410 -2.067 1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.559 -2.888 1.590 1.00 0.00 H new ATOM 0 HH TYR A 40 11.181 -3.058 3.573 1.00 0.00 H new ATOM 648 N ARG A 41 11.644 2.776 -1.715 1.00 0.00 N ATOM 649 CA ARG A 41 12.546 3.802 -1.218 1.00 0.00 C ATOM 650 C ARG A 41 11.866 5.172 -1.260 1.00 0.00 C ATOM 651 O ARG A 41 12.093 6.008 -0.387 1.00 0.00 O ATOM 652 CB ARG A 41 13.832 3.853 -2.045 1.00 0.00 C ATOM 653 CG ARG A 41 14.862 4.781 -1.400 1.00 0.00 C ATOM 654 CD ARG A 41 15.831 5.337 -2.446 1.00 0.00 C ATOM 655 NE ARG A 41 15.579 6.780 -2.654 1.00 0.00 N ATOM 656 CZ ARG A 41 16.496 7.645 -3.108 1.00 0.00 C ATOM 657 NH1 ARG A 41 17.731 7.218 -3.405 1.00 0.00 N ATOM 658 NH2 ARG A 41 16.178 8.937 -3.265 1.00 0.00 N ATOM 0 H ARG A 41 11.802 2.503 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 41 12.800 3.550 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.249 2.850 -2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.606 4.199 -3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.352 5.603 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.418 4.238 -0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.859 5.183 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 41 15.711 4.799 -3.387 1.00 0.00 H new ATOM 0 HE ARG A 41 14.649 7.139 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.973 6.234 -3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 41 18.429 7.877 -3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.238 9.262 -3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.876 9.596 -3.611 1.00 0.00 H new ATOM 672 N GLU A 42 11.046 5.359 -2.284 1.00 0.00 N ATOM 673 CA GLU A 42 10.332 6.613 -2.451 1.00 0.00 C ATOM 674 C GLU A 42 9.234 6.744 -1.394 1.00 0.00 C ATOM 675 O GLU A 42 8.652 7.814 -1.227 1.00 0.00 O ATOM 676 CB GLU A 42 9.752 6.730 -3.862 1.00 0.00 C ATOM 677 CG GLU A 42 9.847 8.167 -4.377 1.00 0.00 C ATOM 678 CD GLU A 42 11.307 8.607 -4.508 1.00 0.00 C ATOM 679 OE1 GLU A 42 12.083 7.826 -5.100 1.00 0.00 O ATOM 680 OE2 GLU A 42 11.613 9.714 -4.014 1.00 0.00 O ATOM 0 H GLU A 42 10.860 4.663 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 42 11.039 7.432 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.289 6.062 -4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.710 6.409 -3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.352 8.244 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.321 8.837 -3.696 1.00 0.00 H new ATOM 687 N LYS A 43 8.983 5.638 -0.707 1.00 0.00 N ATOM 688 CA LYS A 43 7.965 5.616 0.329 1.00 0.00 C ATOM 689 C LYS A 43 8.641 5.604 1.702 1.00 0.00 C ATOM 690 O LYS A 43 8.142 6.212 2.648 1.00 0.00 O ATOM 691 CB LYS A 43 7.002 4.447 0.108 1.00 0.00 C ATOM 692 CG LYS A 43 5.564 4.945 -0.051 1.00 0.00 C ATOM 693 CD LYS A 43 4.870 5.062 1.307 1.00 0.00 C ATOM 694 CE LYS A 43 3.367 5.291 1.138 1.00 0.00 C ATOM 695 NZ LYS A 43 2.656 5.032 2.410 1.00 0.00 N ATOM 0 H LYS A 43 9.467 4.751 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 43 7.353 6.517 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.298 3.890 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.061 3.758 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.564 5.915 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.007 4.260 -0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.040 4.154 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.306 5.886 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.184 6.316 0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.979 4.636 0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.637 5.192 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.816 4.047 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.014 5.674 3.145 1.00 0.00 H new ATOM 709 N PHE A 44 9.765 4.907 1.767 1.00 0.00 N ATOM 710 CA PHE A 44 10.514 4.809 3.008 1.00 0.00 C ATOM 711 C PHE A 44 12.020 4.867 2.745 1.00 0.00 C ATOM 712 O PHE A 44 12.725 3.876 2.930 1.00 0.00 O ATOM 713 CB PHE A 44 10.170 3.455 3.632 1.00 0.00 C ATOM 714 CG PHE A 44 11.196 2.962 4.654 1.00 0.00 C ATOM 715 CD1 PHE A 44 11.682 3.814 5.596 1.00 0.00 C ATOM 716 CD2 PHE A 44 11.623 1.671 4.621 1.00 0.00 C ATOM 717 CE1 PHE A 44 12.635 3.357 6.544 1.00 0.00 C ATOM 718 CE2 PHE A 44 12.575 1.213 5.569 1.00 0.00 C ATOM 719 CZ PHE A 44 13.061 2.066 6.511 1.00 0.00 C ATOM 0 H PHE A 44 10.176 4.404 0.980 1.00 0.00 H new ATOM 0 HA PHE A 44 10.254 5.638 3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.196 3.527 4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.078 2.714 2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.343 4.839 5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.237 0.994 3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.021 4.034 7.291 1.00 0.00 H new ATOM 0 HE2 PHE A 44 12.913 0.188 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.785 1.718 7.233 1.00 0.00 H new ATOM 729 N PRO A 45 12.481 6.069 2.306 1.00 0.00 N ATOM 730 CA PRO A 45 13.890 6.270 2.016 1.00 0.00 C ATOM 731 C PRO A 45 14.704 6.390 3.307 1.00 0.00 C ATOM 732 O PRO A 45 15.165 7.476 3.655 1.00 0.00 O ATOM 733 CB PRO A 45 13.941 7.527 1.163 1.00 0.00 C ATOM 734 CG PRO A 45 12.619 8.241 1.393 1.00 0.00 C ATOM 735 CD PRO A 45 11.675 7.265 2.076 1.00 0.00 C ATOM 0 HA PRO A 45 14.335 5.427 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.781 8.159 1.449 1.00 0.00 H new ATOM 0 HB3 PRO A 45 14.073 7.279 0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 45 12.766 9.126 2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 45 12.198 8.580 0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 45 11.294 7.672 3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.811 7.046 1.449 1.00 0.00 H new ATOM 743 N ALA A 46 14.855 5.260 3.981 1.00 0.00 N ATOM 744 CA ALA A 46 15.605 5.224 5.225 1.00 0.00 C ATOM 745 C ALA A 46 15.645 3.788 5.751 1.00 0.00 C ATOM 746 O ALA A 46 15.144 3.507 6.838 1.00 0.00 O ATOM 747 CB ALA A 46 14.977 6.195 6.227 1.00 0.00 C ATOM 0 H ALA A 46 14.470 4.362 3.689 1.00 0.00 H new ATOM 0 HA ALA A 46 16.634 5.543 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.539 6.169 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.000 7.205 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.944 5.904 6.417 1.00 0.00 H new ATOM 753 N TRP A 47 16.247 2.917 4.954 1.00 0.00 N ATOM 754 CA TRP A 47 16.359 1.517 5.325 1.00 0.00 C ATOM 755 C TRP A 47 17.835 1.216 5.596 1.00 0.00 C ATOM 756 O TRP A 47 18.256 0.062 5.545 1.00 0.00 O ATOM 757 CB TRP A 47 15.753 0.614 4.250 1.00 0.00 C ATOM 758 CG TRP A 47 15.589 1.292 2.888 1.00 0.00 C ATOM 759 CD1 TRP A 47 14.737 2.269 2.550 1.00 0.00 C ATOM 760 CD2 TRP A 47 16.336 1.001 1.687 1.00 0.00 C ATOM 761 NE1 TRP A 47 14.879 2.628 1.225 1.00 0.00 N ATOM 762 CE2 TRP A 47 15.883 1.832 0.684 1.00 0.00 C ATOM 763 CE3 TRP A 47 17.361 0.066 1.457 1.00 0.00 C ATOM 764 CZ2 TRP A 47 16.396 1.813 -0.619 1.00 0.00 C ATOM 765 CZ3 TRP A 47 17.863 0.059 0.151 1.00 0.00 C ATOM 766 CH2 TRP A 47 17.418 0.889 -0.871 1.00 0.00 C ATOM 0 H TRP A 47 16.662 3.154 4.053 1.00 0.00 H new ATOM 0 HA TRP A 47 15.789 1.312 6.231 1.00 0.00 H new ATOM 0 HB2 TRP A 47 16.384 -0.267 4.132 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.778 0.265 4.590 1.00 0.00 H new ATOM 0 HD1 TRP A 47 14.028 2.719 3.229 1.00 0.00 H new ATOM 0 HE1 TRP A 47 14.346 3.345 0.733 1.00 0.00 H new ATOM 0 HE3 TRP A 47 17.731 -0.594 2.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 16.024 2.475 -1.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 18.652 -0.641 -0.079 1.00 0.00 H new ATOM 0 HH2 TRP A 47 17.858 0.822 -1.855 1.00 0.00 H new ATOM 777 N GLN A 48 18.580 2.276 5.876 1.00 0.00 N ATOM 778 CA GLN A 48 20.000 2.140 6.154 1.00 0.00 C ATOM 779 C GLN A 48 20.225 1.135 7.286 1.00 0.00 C ATOM 780 O GLN A 48 20.840 0.090 7.080 1.00 0.00 O ATOM 781 CB GLN A 48 20.624 3.495 6.492 1.00 0.00 C ATOM 782 CG GLN A 48 21.973 3.318 7.193 1.00 0.00 C ATOM 783 CD GLN A 48 22.380 4.595 7.930 1.00 0.00 C ATOM 784 OE1 GLN A 48 21.707 5.063 8.833 1.00 0.00 O ATOM 785 NE2 GLN A 48 23.517 5.131 7.495 1.00 0.00 N ATOM 0 H GLN A 48 18.227 3.232 5.916 1.00 0.00 H new ATOM 0 HA GLN A 48 20.492 1.764 5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 48 20.758 4.076 5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.948 4.061 7.133 1.00 0.00 H new ATOM 0 HG2 GLN A 48 21.914 2.490 7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.736 3.058 6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 48 24.032 4.688 6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 48 23.874 5.985 7.922 1.00 0.00 H new ATOM 794 N ASN A 49 19.714 1.486 8.457 1.00 0.00 N ATOM 795 CA ASN A 49 19.852 0.628 9.621 1.00 0.00 C ATOM 796 C ASN A 49 18.842 -0.517 9.528 1.00 0.00 C ATOM 797 O ASN A 49 19.073 -1.599 10.067 1.00 0.00 O ATOM 798 CB ASN A 49 19.572 1.401 10.912 1.00 0.00 C ATOM 799 CG ASN A 49 19.626 2.911 10.669 1.00 0.00 C ATOM 800 OD1 ASN A 49 20.560 3.439 10.088 1.00 0.00 O ATOM 801 ND2 ASN A 49 18.576 3.573 11.145 1.00 0.00 N ATOM 0 H ASN A 49 19.204 2.353 8.624 1.00 0.00 H new ATOM 0 HA ASN A 49 20.874 0.250 9.641 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.591 1.126 11.299 1.00 0.00 H new ATOM 0 HB3 ASN A 49 20.303 1.125 11.672 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.518 4.585 11.034 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.828 3.069 11.622 1.00 0.00 H new ATOM 808 N SER A 50 17.744 -0.241 8.840 1.00 0.00 N ATOM 809 CA SER A 50 16.698 -1.235 8.669 1.00 0.00 C ATOM 810 C SER A 50 17.256 -2.463 7.948 1.00 0.00 C ATOM 811 O SER A 50 17.147 -3.583 8.447 1.00 0.00 O ATOM 812 CB SER A 50 15.512 -0.658 7.893 1.00 0.00 C ATOM 813 OG SER A 50 14.307 -1.376 8.147 1.00 0.00 O ATOM 0 H SER A 50 17.556 0.657 8.394 1.00 0.00 H new ATOM 0 HA SER A 50 16.343 -1.531 9.656 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.375 0.388 8.166 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.731 -0.683 6.825 1.00 0.00 H new ATOM 0 HG SER A 50 13.926 -1.686 7.299 1.00 0.00 H new ATOM 819 N ILE A 51 17.842 -2.213 6.787 1.00 0.00 N ATOM 820 CA ILE A 51 18.418 -3.285 5.993 1.00 0.00 C ATOM 821 C ILE A 51 19.664 -3.824 6.698 1.00 0.00 C ATOM 822 O ILE A 51 19.813 -5.033 6.866 1.00 0.00 O ATOM 823 CB ILE A 51 18.678 -2.812 4.561 1.00 0.00 C ATOM 824 CG1 ILE A 51 18.319 -3.902 3.549 1.00 0.00 C ATOM 825 CG2 ILE A 51 20.120 -2.330 4.397 1.00 0.00 C ATOM 826 CD1 ILE A 51 17.720 -3.295 2.279 1.00 0.00 C ATOM 0 H ILE A 51 17.931 -1.283 6.377 1.00 0.00 H new ATOM 0 HA ILE A 51 17.716 -4.114 5.908 1.00 0.00 H new ATOM 0 HB ILE A 51 18.029 -1.960 4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 51 19.210 -4.476 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.607 -4.597 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.279 -1.999 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.306 -1.500 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 51 20.805 -3.147 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 51 17.474 -4.091 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.816 -2.742 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.443 -2.619 1.823 1.00 0.00 H new ATOM 838 N ARG A 52 20.528 -2.900 7.092 1.00 0.00 N ATOM 839 CA ARG A 52 21.757 -3.267 7.775 1.00 0.00 C ATOM 840 C ARG A 52 21.454 -4.210 8.941 1.00 0.00 C ATOM 841 O ARG A 52 22.070 -5.267 9.065 1.00 0.00 O ATOM 842 CB ARG A 52 22.484 -2.029 8.304 1.00 0.00 C ATOM 843 CG ARG A 52 23.776 -1.777 7.524 1.00 0.00 C ATOM 844 CD ARG A 52 23.689 -0.474 6.727 1.00 0.00 C ATOM 845 NE ARG A 52 23.800 0.686 7.639 1.00 0.00 N ATOM 846 CZ ARG A 52 24.610 1.733 7.429 1.00 0.00 C ATOM 847 NH1 ARG A 52 25.385 1.771 6.336 1.00 0.00 N ATOM 848 NH2 ARG A 52 24.645 2.741 8.311 1.00 0.00 N ATOM 0 H ARG A 52 20.401 -1.898 6.951 1.00 0.00 H new ATOM 0 HA ARG A 52 22.400 -3.771 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 52 21.832 -1.159 8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.713 -2.162 9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 52 24.618 -1.730 8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.965 -2.610 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.485 -0.439 5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.744 -0.432 6.185 1.00 0.00 H new ATOM 0 HE ARG A 52 23.224 0.689 8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 52 25.358 1.003 5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 52 26.002 2.567 6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 52 24.055 2.712 9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 52 25.262 3.538 8.151 1.00 0.00 H new ATOM 862 N HIS A 53 20.506 -3.792 9.768 1.00 0.00 N ATOM 863 CA HIS A 53 20.115 -4.586 10.920 1.00 0.00 C ATOM 864 C HIS A 53 19.702 -5.986 10.462 1.00 0.00 C ATOM 865 O HIS A 53 20.280 -6.981 10.897 1.00 0.00 O ATOM 866 CB HIS A 53 19.020 -3.878 11.721 1.00 0.00 C ATOM 867 CG HIS A 53 18.510 -4.672 12.899 1.00 0.00 C ATOM 868 ND1 HIS A 53 17.551 -5.663 12.776 1.00 0.00 N ATOM 869 CD2 HIS A 53 18.835 -4.613 14.222 1.00 0.00 C ATOM 870 CE1 HIS A 53 17.317 -6.169 13.978 1.00 0.00 C ATOM 871 NE2 HIS A 53 18.114 -5.517 14.873 1.00 0.00 N ATOM 0 H HIS A 53 19.998 -2.914 9.663 1.00 0.00 H new ATOM 0 HA HIS A 53 20.964 -4.697 11.594 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.406 -2.923 12.079 1.00 0.00 H new ATOM 0 HB3 HIS A 53 18.185 -3.655 11.057 1.00 0.00 H new ATOM 0 HD2 HIS A 53 19.557 -3.944 14.665 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.618 -6.959 14.209 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.150 -5.695 15.877 1.00 0.00 H new ATOM 879 N ASN A 54 18.706 -6.019 9.589 1.00 0.00 N ATOM 880 CA ASN A 54 18.209 -7.281 9.068 1.00 0.00 C ATOM 881 C ASN A 54 19.336 -7.997 8.320 1.00 0.00 C ATOM 882 O ASN A 54 19.220 -9.180 8.002 1.00 0.00 O ATOM 883 CB ASN A 54 17.058 -7.056 8.085 1.00 0.00 C ATOM 884 CG ASN A 54 15.807 -6.557 8.811 1.00 0.00 C ATOM 885 OD1 ASN A 54 15.315 -5.466 8.574 1.00 0.00 O ATOM 886 ND2 ASN A 54 15.323 -7.413 9.706 1.00 0.00 N ATOM 0 H ASN A 54 18.230 -5.192 9.229 1.00 0.00 H new ATOM 0 HA ASN A 54 17.854 -7.877 9.909 1.00 0.00 H new ATOM 0 HB2 ASN A 54 17.358 -6.331 7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 54 16.833 -7.986 7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 54 14.490 -7.172 10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 54 15.784 -8.310 9.855 1.00 0.00 H new ATOM 893 N LEU A 55 20.399 -7.251 8.061 1.00 0.00 N ATOM 894 CA LEU A 55 21.546 -7.800 7.357 1.00 0.00 C ATOM 895 C LEU A 55 22.440 -8.545 8.350 1.00 0.00 C ATOM 896 O LEU A 55 22.671 -9.744 8.204 1.00 0.00 O ATOM 897 CB LEU A 55 22.273 -6.702 6.579 1.00 0.00 C ATOM 898 CG LEU A 55 22.368 -6.903 5.065 1.00 0.00 C ATOM 899 CD1 LEU A 55 23.127 -5.750 4.405 1.00 0.00 C ATOM 900 CD2 LEU A 55 22.986 -8.262 4.730 1.00 0.00 C ATOM 0 H LEU A 55 20.491 -6.270 8.326 1.00 0.00 H new ATOM 0 HA LEU A 55 21.223 -8.526 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 55 21.768 -5.755 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 55 23.283 -6.610 6.977 1.00 0.00 H new ATOM 0 HG LEU A 55 21.358 -6.899 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 55 23.180 -5.918 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 55 22.607 -4.813 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 55 24.136 -5.697 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 55 23.042 -8.379 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 55 23.989 -8.320 5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 55 22.368 -9.056 5.150 1.00 0.00 H new ATOM 912 N SER A 56 22.918 -7.804 9.339 1.00 0.00 N ATOM 913 CA SER A 56 23.781 -8.379 10.356 1.00 0.00 C ATOM 914 C SER A 56 22.959 -9.246 11.311 1.00 0.00 C ATOM 915 O SER A 56 23.301 -10.402 11.557 1.00 0.00 O ATOM 916 CB SER A 56 24.521 -7.288 11.132 1.00 0.00 C ATOM 917 OG SER A 56 24.874 -7.713 12.446 1.00 0.00 O ATOM 0 H SER A 56 22.724 -6.810 9.457 1.00 0.00 H new ATOM 0 HA SER A 56 24.525 -9.002 9.860 1.00 0.00 H new ATOM 0 HB2 SER A 56 25.422 -7.004 10.588 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.894 -6.399 11.195 1.00 0.00 H new ATOM 0 HG SER A 56 25.346 -6.989 12.908 1.00 0.00 H new ATOM 923 N LEU A 57 21.890 -8.655 11.824 1.00 0.00 N ATOM 924 CA LEU A 57 21.016 -9.358 12.748 1.00 0.00 C ATOM 925 C LEU A 57 20.220 -10.417 11.982 1.00 0.00 C ATOM 926 O LEU A 57 19.001 -10.310 11.853 1.00 0.00 O ATOM 927 CB LEU A 57 20.141 -8.368 13.518 1.00 0.00 C ATOM 928 CG LEU A 57 20.748 -7.790 14.798 1.00 0.00 C ATOM 929 CD1 LEU A 57 21.171 -8.905 15.755 1.00 0.00 C ATOM 930 CD2 LEU A 57 21.904 -6.841 14.476 1.00 0.00 C ATOM 0 H LEU A 57 21.609 -7.697 11.617 1.00 0.00 H new ATOM 0 HA LEU A 57 21.602 -9.882 13.503 1.00 0.00 H new ATOM 0 HB2 LEU A 57 19.891 -7.541 12.853 1.00 0.00 H new ATOM 0 HB3 LEU A 57 19.205 -8.865 13.775 1.00 0.00 H new ATOM 0 HG LEU A 57 19.982 -7.204 15.306 1.00 0.00 H new ATOM 0 HD11 LEU A 57 21.599 -8.467 16.657 1.00 0.00 H new ATOM 0 HD12 LEU A 57 20.301 -9.506 16.021 1.00 0.00 H new ATOM 0 HD13 LEU A 57 21.915 -9.538 15.270 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.318 -6.444 15.403 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.680 -7.383 13.935 1.00 0.00 H new ATOM 0 HD23 LEU A 57 21.539 -6.019 13.860 1.00 0.00 H new ATOM 942 N ASN A 58 20.941 -11.416 11.494 1.00 0.00 N ATOM 943 CA ASN A 58 20.316 -12.493 10.745 1.00 0.00 C ATOM 944 C ASN A 58 21.402 -13.349 10.090 1.00 0.00 C ATOM 945 O ASN A 58 21.446 -14.562 10.289 1.00 0.00 O ATOM 946 CB ASN A 58 19.415 -11.944 9.638 1.00 0.00 C ATOM 947 CG ASN A 58 17.963 -12.380 9.846 1.00 0.00 C ATOM 948 OD1 ASN A 58 17.296 -12.860 8.944 1.00 0.00 O ATOM 949 ND2 ASN A 58 17.512 -12.187 11.083 1.00 0.00 N ATOM 0 H ASN A 58 21.952 -11.502 11.603 1.00 0.00 H new ATOM 0 HA ASN A 58 19.716 -13.082 11.439 1.00 0.00 H new ATOM 0 HB2 ASN A 58 19.473 -10.856 9.623 1.00 0.00 H new ATOM 0 HB3 ASN A 58 19.769 -12.295 8.669 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.555 -12.446 11.323 1.00 0.00 H new ATOM 0 HD22 ASN A 58 18.123 -11.780 11.791 1.00 0.00 H new ATOM 956 N ASP A 59 22.252 -12.683 9.322 1.00 0.00 N ATOM 957 CA ASP A 59 23.335 -13.367 8.636 1.00 0.00 C ATOM 958 C ASP A 59 24.435 -13.709 9.642 1.00 0.00 C ATOM 959 O ASP A 59 24.954 -14.824 9.645 1.00 0.00 O ATOM 960 CB ASP A 59 23.947 -12.480 7.550 1.00 0.00 C ATOM 961 CG ASP A 59 23.227 -12.519 6.201 1.00 0.00 C ATOM 962 OD1 ASP A 59 23.377 -13.548 5.507 1.00 0.00 O ATOM 963 OD2 ASP A 59 22.542 -11.520 5.893 1.00 0.00 O ATOM 0 H ASP A 59 22.213 -11.677 9.160 1.00 0.00 H new ATOM 0 HA ASP A 59 22.927 -14.268 8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 59 23.961 -11.451 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 59 24.984 -12.779 7.400 1.00 0.00 H new ATOM 968 N CYS A 60 24.758 -12.729 10.473 1.00 0.00 N ATOM 969 CA CYS A 60 25.787 -12.912 11.482 1.00 0.00 C ATOM 970 C CYS A 60 27.143 -12.990 10.778 1.00 0.00 C ATOM 971 O CYS A 60 27.840 -13.998 10.874 1.00 0.00 O ATOM 972 CB CYS A 60 25.521 -14.148 12.344 1.00 0.00 C ATOM 973 SG CYS A 60 24.328 -13.741 13.670 1.00 0.00 S ATOM 0 H CYS A 60 24.325 -11.805 10.468 1.00 0.00 H new ATOM 0 HA CYS A 60 25.782 -12.064 12.167 1.00 0.00 H new ATOM 0 HB2 CYS A 60 25.129 -14.955 11.726 1.00 0.00 H new ATOM 0 HB3 CYS A 60 26.454 -14.505 12.780 1.00 0.00 H new ATOM 0 HG CYS A 60 24.107 -14.798 14.395 1.00 0.00 H new ATOM 979 N PHE A 61 27.476 -11.911 10.084 1.00 0.00 N ATOM 980 CA PHE A 61 28.736 -11.843 9.364 1.00 0.00 C ATOM 981 C PHE A 61 29.576 -10.656 9.837 1.00 0.00 C ATOM 982 O PHE A 61 29.316 -10.091 10.899 1.00 0.00 O ATOM 983 CB PHE A 61 28.395 -11.654 7.884 1.00 0.00 C ATOM 984 CG PHE A 61 27.225 -10.702 7.632 1.00 0.00 C ATOM 985 CD1 PHE A 61 27.125 -9.544 8.339 1.00 0.00 C ATOM 986 CD2 PHE A 61 26.283 -11.013 6.701 1.00 0.00 C ATOM 987 CE1 PHE A 61 26.039 -8.660 8.105 1.00 0.00 C ATOM 988 CE2 PHE A 61 25.197 -10.129 6.467 1.00 0.00 C ATOM 989 CZ PHE A 61 25.097 -8.972 7.174 1.00 0.00 C ATOM 0 H PHE A 61 26.895 -11.077 10.005 1.00 0.00 H new ATOM 0 HA PHE A 61 29.312 -12.752 9.537 1.00 0.00 H new ATOM 0 HB2 PHE A 61 29.276 -11.277 7.364 1.00 0.00 H new ATOM 0 HB3 PHE A 61 28.160 -12.625 7.449 1.00 0.00 H new ATOM 0 HD1 PHE A 61 27.872 -9.297 9.079 1.00 0.00 H new ATOM 0 HD2 PHE A 61 26.361 -11.932 6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 61 25.961 -7.740 8.666 1.00 0.00 H new ATOM 0 HE2 PHE A 61 24.450 -10.376 5.727 1.00 0.00 H new ATOM 0 HZ PHE A 61 24.270 -8.301 6.997 1.00 0.00 H new ATOM 999 N VAL A 62 30.566 -10.311 9.027 1.00 0.00 N ATOM 1000 CA VAL A 62 31.446 -9.201 9.350 1.00 0.00 C ATOM 1001 C VAL A 62 31.305 -8.116 8.280 1.00 0.00 C ATOM 1002 O VAL A 62 30.984 -8.412 7.130 1.00 0.00 O ATOM 1003 CB VAL A 62 32.883 -9.701 9.509 1.00 0.00 C ATOM 1004 CG1 VAL A 62 32.986 -10.721 10.645 1.00 0.00 C ATOM 1005 CG2 VAL A 62 33.408 -10.287 8.196 1.00 0.00 C ATOM 0 H VAL A 62 30.778 -10.781 8.147 1.00 0.00 H new ATOM 0 HA VAL A 62 31.164 -8.755 10.304 1.00 0.00 H new ATOM 0 HB VAL A 62 33.508 -8.847 9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 62 34.018 -11.060 10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 62 32.672 -10.257 11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 62 32.342 -11.573 10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.431 -10.635 8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 62 32.778 -11.124 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.389 -9.520 7.422 1.00 0.00 H new ATOM 1015 N LYS A 63 31.552 -6.883 8.697 1.00 0.00 N ATOM 1016 CA LYS A 63 31.457 -5.753 7.789 1.00 0.00 C ATOM 1017 C LYS A 63 32.622 -4.796 8.049 1.00 0.00 C ATOM 1018 O LYS A 63 33.242 -4.841 9.110 1.00 0.00 O ATOM 1019 CB LYS A 63 30.082 -5.092 7.899 1.00 0.00 C ATOM 1020 CG LYS A 63 28.987 -6.137 8.123 1.00 0.00 C ATOM 1021 CD LYS A 63 28.798 -6.422 9.614 1.00 0.00 C ATOM 1022 CE LYS A 63 27.935 -5.345 10.273 1.00 0.00 C ATOM 1023 NZ LYS A 63 28.022 -5.442 11.748 1.00 0.00 N ATOM 0 H LYS A 63 31.818 -6.642 9.652 1.00 0.00 H new ATOM 0 HA LYS A 63 31.543 -6.087 6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.083 -4.378 8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.872 -4.529 6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.049 -5.784 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.247 -7.059 7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.331 -7.398 9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.770 -6.465 10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.263 -4.358 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.898 -5.457 9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.430 -4.704 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.687 -6.378 12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.010 -5.313 12.047 1.00 0.00 H new ATOM 1037 N ILE A 64 32.885 -3.953 7.061 1.00 0.00 N ATOM 1038 CA ILE A 64 33.964 -2.986 7.170 1.00 0.00 C ATOM 1039 C ILE A 64 33.383 -1.572 7.130 1.00 0.00 C ATOM 1040 O ILE A 64 32.534 -1.269 6.293 1.00 0.00 O ATOM 1041 CB ILE A 64 35.025 -3.245 6.098 1.00 0.00 C ATOM 1042 CG1 ILE A 64 36.375 -2.655 6.509 1.00 0.00 C ATOM 1043 CG2 ILE A 64 34.564 -2.727 4.734 1.00 0.00 C ATOM 1044 CD1 ILE A 64 37.496 -3.165 5.601 1.00 0.00 C ATOM 0 H ILE A 64 32.370 -3.920 6.181 1.00 0.00 H new ATOM 0 HA ILE A 64 34.476 -3.093 8.126 1.00 0.00 H new ATOM 0 HB ILE A 64 35.160 -4.323 6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 64 36.330 -1.567 6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 64 36.592 -2.920 7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 64 35.336 -2.924 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 64 33.644 -3.234 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 64 34.383 -1.654 4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 64 38.445 -2.730 5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 64 37.554 -4.251 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 64 37.289 -2.877 4.570 1.00 0.00 H new ATOM 1056 N PRO A 65 33.875 -0.721 8.071 1.00 0.00 N ATOM 1057 CA PRO A 65 33.413 0.654 8.151 1.00 0.00 C ATOM 1058 C PRO A 65 34.010 1.500 7.024 1.00 0.00 C ATOM 1059 O PRO A 65 34.520 0.961 6.043 1.00 0.00 O ATOM 1060 CB PRO A 65 33.829 1.128 9.534 1.00 0.00 C ATOM 1061 CG PRO A 65 34.909 0.165 9.998 1.00 0.00 C ATOM 1062 CD PRO A 65 34.880 -1.045 9.079 1.00 0.00 C ATOM 0 HA PRO A 65 32.335 0.744 8.021 1.00 0.00 H new ATOM 0 HB2 PRO A 65 34.206 2.150 9.499 1.00 0.00 H new ATOM 0 HB3 PRO A 65 32.982 1.124 10.219 1.00 0.00 H new ATOM 0 HG2 PRO A 65 35.887 0.645 9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 65 34.734 -0.136 11.031 1.00 0.00 H new ATOM 0 HD2 PRO A 65 35.855 -1.220 8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 65 34.616 -1.951 9.625 1.00 0.00 H new ATOM 1070 N ARG A 66 33.926 2.810 7.203 1.00 0.00 N ATOM 1071 CA ARG A 66 34.452 3.735 6.213 1.00 0.00 C ATOM 1072 C ARG A 66 35.867 3.323 5.801 1.00 0.00 C ATOM 1073 O ARG A 66 36.788 3.352 6.615 1.00 0.00 O ATOM 1074 CB ARG A 66 34.482 5.165 6.758 1.00 0.00 C ATOM 1075 CG ARG A 66 34.814 6.166 5.650 1.00 0.00 C ATOM 1076 CD ARG A 66 35.435 7.439 6.229 1.00 0.00 C ATOM 1077 NE ARG A 66 36.088 8.218 5.154 1.00 0.00 N ATOM 1078 CZ ARG A 66 36.321 9.536 5.216 1.00 0.00 C ATOM 1079 NH1 ARG A 66 35.955 10.230 6.303 1.00 0.00 N ATOM 1080 NH2 ARG A 66 36.919 10.161 4.193 1.00 0.00 N ATOM 0 H ARG A 66 33.502 3.253 8.018 1.00 0.00 H new ATOM 0 HA ARG A 66 33.794 3.703 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 66 33.515 5.411 7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 66 35.223 5.239 7.554 1.00 0.00 H new ATOM 0 HG2 ARG A 66 35.504 5.711 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 66 33.908 6.417 5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 66 34.665 8.042 6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 66 36.164 7.181 6.997 1.00 0.00 H new ATOM 0 HE ARG A 66 36.379 7.720 4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 66 35.500 9.755 7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 66 36.132 11.233 6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 66 37.197 9.633 3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 66 37.096 11.164 4.241 1.00 0.00 H new ATOM 1094 N GLU A 67 35.995 2.950 4.536 1.00 0.00 N ATOM 1095 CA GLU A 67 37.281 2.533 4.005 1.00 0.00 C ATOM 1096 C GLU A 67 37.945 3.689 3.253 1.00 0.00 C ATOM 1097 O GLU A 67 37.261 4.537 2.683 1.00 0.00 O ATOM 1098 CB GLU A 67 37.131 1.307 3.103 1.00 0.00 C ATOM 1099 CG GLU A 67 37.339 0.015 3.896 1.00 0.00 C ATOM 1100 CD GLU A 67 38.828 -0.262 4.114 1.00 0.00 C ATOM 1101 OE1 GLU A 67 39.503 -0.564 3.106 1.00 0.00 O ATOM 1102 OE2 GLU A 67 39.258 -0.165 5.284 1.00 0.00 O ATOM 0 H GLU A 67 35.229 2.928 3.863 1.00 0.00 H new ATOM 0 HA GLU A 67 37.923 2.252 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 67 36.140 1.304 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 67 37.854 1.359 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 67 36.835 0.090 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 67 36.884 -0.820 3.363 1.00 0.00 H new ATOM 1109 N PRO A 68 39.305 3.685 3.277 1.00 0.00 N ATOM 1110 CA PRO A 68 40.068 4.722 2.605 1.00 0.00 C ATOM 1111 C PRO A 68 40.060 4.514 1.089 1.00 0.00 C ATOM 1112 O PRO A 68 40.315 5.447 0.329 1.00 0.00 O ATOM 1113 CB PRO A 68 41.461 4.639 3.208 1.00 0.00 C ATOM 1114 CG PRO A 68 41.555 3.266 3.853 1.00 0.00 C ATOM 1115 CD PRO A 68 40.148 2.696 3.942 1.00 0.00 C ATOM 0 HA PRO A 68 39.644 5.716 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 68 42.226 4.764 2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 68 41.615 5.428 3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 68 42.196 2.610 3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 68 42.001 3.340 4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 68 40.082 1.725 3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.845 2.550 4.979 1.00 0.00 H new ATOM 1123 N GLY A 69 39.764 3.284 0.694 1.00 0.00 N ATOM 1124 CA GLY A 69 39.719 2.941 -0.717 1.00 0.00 C ATOM 1125 C GLY A 69 38.626 3.731 -1.438 1.00 0.00 C ATOM 1126 O GLY A 69 38.913 4.504 -2.352 1.00 0.00 O ATOM 0 H GLY A 69 39.553 2.513 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 69 40.686 3.148 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 69 39.535 1.873 -0.830 1.00 0.00 H new ATOM 1130 N ASN A 70 37.394 3.511 -1.001 1.00 0.00 N ATOM 1131 CA ASN A 70 36.257 4.193 -1.594 1.00 0.00 C ATOM 1132 C ASN A 70 35.265 4.573 -0.493 1.00 0.00 C ATOM 1133 O ASN A 70 34.497 3.732 -0.027 1.00 0.00 O ATOM 1134 CB ASN A 70 35.531 3.289 -2.592 1.00 0.00 C ATOM 1135 CG ASN A 70 36.447 2.164 -3.079 1.00 0.00 C ATOM 1136 OD1 ASN A 70 37.133 2.276 -4.082 1.00 0.00 O ATOM 1137 ND2 ASN A 70 36.420 1.076 -2.315 1.00 0.00 N ATOM 0 H ASN A 70 37.159 2.870 -0.243 1.00 0.00 H new ATOM 0 HA ASN A 70 36.628 5.078 -2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 70 34.643 2.863 -2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 70 35.191 3.880 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 70 36.996 0.270 -2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 70 35.823 1.048 -1.488 1.00 0.00 H new ATOM 1144 N PRO A 71 35.313 5.873 -0.098 1.00 0.00 N ATOM 1145 CA PRO A 71 34.429 6.375 0.939 1.00 0.00 C ATOM 1146 C PRO A 71 33.005 6.553 0.407 1.00 0.00 C ATOM 1147 O PRO A 71 32.229 5.600 0.369 1.00 0.00 O ATOM 1148 CB PRO A 71 35.059 7.679 1.398 1.00 0.00 C ATOM 1149 CG PRO A 71 36.013 8.093 0.289 1.00 0.00 C ATOM 1150 CD PRO A 71 36.209 6.897 -0.628 1.00 0.00 C ATOM 0 HA PRO A 71 34.327 5.683 1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 71 34.299 8.442 1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 71 35.590 7.546 2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 71 35.608 8.938 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 71 36.967 8.414 0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.961 7.145 -1.660 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.245 6.559 -0.621 1.00 0.00 H new ATOM 1158 N GLY A 72 32.706 7.781 0.009 1.00 0.00 N ATOM 1159 CA GLY A 72 31.390 8.097 -0.519 1.00 0.00 C ATOM 1160 C GLY A 72 30.359 7.056 -0.080 1.00 0.00 C ATOM 1161 O GLY A 72 29.749 7.190 0.980 1.00 0.00 O ATOM 0 H GLY A 72 33.353 8.569 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 72 31.084 9.085 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 72 31.431 8.137 -1.607 1.00 0.00 H new ATOM 1165 N LYS A 73 30.195 6.042 -0.917 1.00 0.00 N ATOM 1166 CA LYS A 73 29.248 4.979 -0.629 1.00 0.00 C ATOM 1167 C LYS A 73 29.864 3.634 -1.019 1.00 0.00 C ATOM 1168 O LYS A 73 29.184 2.776 -1.580 1.00 0.00 O ATOM 1169 CB LYS A 73 27.905 5.260 -1.305 1.00 0.00 C ATOM 1170 CG LYS A 73 27.008 6.115 -0.407 1.00 0.00 C ATOM 1171 CD LYS A 73 26.165 7.085 -1.238 1.00 0.00 C ATOM 1172 CE LYS A 73 25.114 6.334 -2.058 1.00 0.00 C ATOM 1173 NZ LYS A 73 24.563 7.208 -3.118 1.00 0.00 N ATOM 0 H LYS A 73 30.703 5.934 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 73 29.037 4.936 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 73 28.071 5.772 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 73 27.405 4.319 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 73 26.354 5.470 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 73 27.622 6.674 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.674 7.802 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 73 26.812 7.656 -1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 73 25.560 5.446 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 73 24.310 5.993 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 23.851 6.683 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 24.120 8.043 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 25.330 7.513 -3.750 1.00 0.00 H new ATOM 1187 N GLY A 74 31.143 3.492 -0.707 1.00 0.00 N ATOM 1188 CA GLY A 74 31.858 2.265 -1.019 1.00 0.00 C ATOM 1189 C GLY A 74 32.281 1.538 0.259 1.00 0.00 C ATOM 1190 O GLY A 74 32.988 2.100 1.093 1.00 0.00 O ATOM 0 H GLY A 74 31.704 4.206 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 74 31.224 1.613 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 74 32.738 2.495 -1.619 1.00 0.00 H new ATOM 1194 N ASN A 75 31.829 0.297 0.372 1.00 0.00 N ATOM 1195 CA ASN A 75 32.151 -0.514 1.534 1.00 0.00 C ATOM 1196 C ASN A 75 32.202 -1.987 1.124 1.00 0.00 C ATOM 1197 O ASN A 75 31.846 -2.335 0.000 1.00 0.00 O ATOM 1198 CB ASN A 75 31.087 -0.363 2.624 1.00 0.00 C ATOM 1199 CG ASN A 75 29.686 -0.287 2.015 1.00 0.00 C ATOM 1200 OD1 ASN A 75 29.504 -0.287 0.808 1.00 0.00 O ATOM 1201 ND2 ASN A 75 28.708 -0.221 2.914 1.00 0.00 N ATOM 0 H ASN A 75 31.243 -0.166 -0.322 1.00 0.00 H new ATOM 0 HA ASN A 75 33.114 -0.180 1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 75 31.143 -1.207 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 75 31.283 0.537 3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 75 27.737 -0.166 2.608 1.00 0.00 H new ATOM 0 HD22 ASN A 75 28.929 -0.225 3.910 1.00 0.00 H new ATOM 1208 N TYR A 76 32.648 -2.813 2.059 1.00 0.00 N ATOM 1209 CA TYR A 76 32.751 -4.241 1.810 1.00 0.00 C ATOM 1210 C TYR A 76 32.155 -5.044 2.968 1.00 0.00 C ATOM 1211 O TYR A 76 32.338 -4.691 4.132 1.00 0.00 O ATOM 1212 CB TYR A 76 34.247 -4.545 1.710 1.00 0.00 C ATOM 1213 CG TYR A 76 35.081 -3.389 1.153 1.00 0.00 C ATOM 1214 CD1 TYR A 76 34.704 -2.768 -0.019 1.00 0.00 C ATOM 1215 CD2 TYR A 76 36.212 -2.969 1.824 1.00 0.00 C ATOM 1216 CE1 TYR A 76 35.489 -1.680 -0.543 1.00 0.00 C ATOM 1217 CE2 TYR A 76 36.997 -1.881 1.301 1.00 0.00 C ATOM 1218 CZ TYR A 76 36.597 -1.290 0.143 1.00 0.00 C ATOM 1219 OH TYR A 76 37.338 -0.263 -0.351 1.00 0.00 O ATOM 0 H TYR A 76 32.942 -2.520 2.991 1.00 0.00 H new ATOM 0 HA TYR A 76 32.208 -4.513 0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 76 34.621 -4.806 2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 76 34.388 -5.420 1.075 1.00 0.00 H new ATOM 0 HD1 TYR A 76 33.820 -3.098 -0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 76 36.508 -3.456 2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 76 35.204 -1.185 -1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 76 37.883 -1.542 1.817 1.00 0.00 H new ATOM 0 HH TYR A 76 38.098 -0.093 0.243 1.00 0.00 H new ATOM 1229 N TRP A 77 31.455 -6.110 2.608 1.00 0.00 N ATOM 1230 CA TRP A 77 30.832 -6.966 3.602 1.00 0.00 C ATOM 1231 C TRP A 77 31.215 -8.413 3.287 1.00 0.00 C ATOM 1232 O TRP A 77 31.140 -8.842 2.136 1.00 0.00 O ATOM 1233 CB TRP A 77 29.319 -6.744 3.646 1.00 0.00 C ATOM 1234 CG TRP A 77 28.896 -5.488 4.411 1.00 0.00 C ATOM 1235 CD1 TRP A 77 29.454 -4.271 4.371 1.00 0.00 C ATOM 1236 CD2 TRP A 77 27.794 -5.375 5.336 1.00 0.00 C ATOM 1237 NE1 TRP A 77 28.797 -3.385 5.200 1.00 0.00 N ATOM 1238 CE2 TRP A 77 27.755 -4.078 5.806 1.00 0.00 C ATOM 1239 CE3 TRP A 77 26.862 -6.337 5.763 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 26.802 -3.624 6.726 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 25.917 -5.868 6.683 1.00 0.00 C ATOM 1242 CH2 TRP A 77 25.864 -4.565 7.165 1.00 0.00 C ATOM 0 H TRP A 77 31.306 -6.400 1.642 1.00 0.00 H new ATOM 0 HA TRP A 77 31.191 -6.721 4.601 1.00 0.00 H new ATOM 0 HB2 TRP A 77 28.942 -6.680 2.625 1.00 0.00 H new ATOM 0 HB3 TRP A 77 28.848 -7.613 4.106 1.00 0.00 H new ATOM 0 HD1 TRP A 77 30.311 -4.015 3.766 1.00 0.00 H new ATOM 0 HE1 TRP A 77 29.032 -2.403 5.342 1.00 0.00 H new ATOM 0 HE3 TRP A 77 26.874 -7.357 5.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 26.791 -2.603 7.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 25.177 -6.567 7.044 1.00 0.00 H new ATOM 0 HH2 TRP A 77 25.102 -4.280 7.875 1.00 0.00 H new ATOM 1253 N THR A 78 31.616 -9.126 4.329 1.00 0.00 N ATOM 1254 CA THR A 78 32.011 -10.516 4.178 1.00 0.00 C ATOM 1255 C THR A 78 31.081 -11.426 4.984 1.00 0.00 C ATOM 1256 O THR A 78 30.847 -11.188 6.168 1.00 0.00 O ATOM 1257 CB THR A 78 33.481 -10.637 4.583 1.00 0.00 C ATOM 1258 OG1 THR A 78 34.150 -9.694 3.751 1.00 0.00 O ATOM 1259 CG2 THR A 78 34.089 -11.983 4.185 1.00 0.00 C ATOM 0 H THR A 78 31.676 -8.767 5.282 1.00 0.00 H new ATOM 0 HA THR A 78 31.917 -10.843 3.143 1.00 0.00 H new ATOM 0 HB THR A 78 33.572 -10.502 5.661 1.00 0.00 H new ATOM 0 HG1 THR A 78 35.110 -9.706 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 78 35.133 -12.017 4.496 1.00 0.00 H new ATOM 0 HG22 THR A 78 33.540 -12.789 4.672 1.00 0.00 H new ATOM 0 HG23 THR A 78 34.028 -12.104 3.103 1.00 0.00 H new ATOM 1267 N LEU A 79 30.575 -12.448 4.310 1.00 0.00 N ATOM 1268 CA LEU A 79 29.676 -13.394 4.948 1.00 0.00 C ATOM 1269 C LEU A 79 30.338 -14.773 4.988 1.00 0.00 C ATOM 1270 O LEU A 79 31.166 -15.093 4.136 1.00 0.00 O ATOM 1271 CB LEU A 79 28.311 -13.387 4.257 1.00 0.00 C ATOM 1272 CG LEU A 79 27.302 -14.424 4.754 1.00 0.00 C ATOM 1273 CD1 LEU A 79 25.898 -13.824 4.844 1.00 0.00 C ATOM 1274 CD2 LEU A 79 27.334 -15.681 3.881 1.00 0.00 C ATOM 0 H LEU A 79 30.771 -12.642 3.328 1.00 0.00 H new ATOM 0 HA LEU A 79 29.486 -13.101 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 79 27.872 -12.396 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 79 28.466 -13.542 3.189 1.00 0.00 H new ATOM 0 HG LEU A 79 27.588 -14.724 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 79 25.200 -14.582 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 79 25.905 -12.983 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 79 25.586 -13.478 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 79 26.608 -16.403 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 79 27.086 -15.416 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 79 28.331 -16.120 3.912 1.00 0.00 H new ATOM 1286 N ASP A 80 29.948 -15.553 5.985 1.00 0.00 N ATOM 1287 CA ASP A 80 30.493 -16.890 6.147 1.00 0.00 C ATOM 1288 C ASP A 80 29.870 -17.820 5.104 1.00 0.00 C ATOM 1289 O ASP A 80 28.718 -17.636 4.713 1.00 0.00 O ATOM 1290 CB ASP A 80 30.172 -17.452 7.533 1.00 0.00 C ATOM 1291 CG ASP A 80 31.346 -18.128 8.245 1.00 0.00 C ATOM 1292 OD1 ASP A 80 32.451 -17.546 8.196 1.00 0.00 O ATOM 1293 OD2 ASP A 80 31.111 -19.212 8.822 1.00 0.00 O ATOM 0 H ASP A 80 29.261 -15.285 6.689 1.00 0.00 H new ATOM 0 HA ASP A 80 31.574 -16.830 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 80 29.804 -16.641 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 80 29.361 -18.174 7.437 1.00 0.00 H new ATOM 1298 N PRO A 81 30.679 -18.824 4.672 1.00 0.00 N ATOM 1299 CA PRO A 81 30.219 -19.783 3.682 1.00 0.00 C ATOM 1300 C PRO A 81 29.246 -20.787 4.302 1.00 0.00 C ATOM 1301 O PRO A 81 29.648 -21.876 4.711 1.00 0.00 O ATOM 1302 CB PRO A 81 31.484 -20.434 3.147 1.00 0.00 C ATOM 1303 CG PRO A 81 32.565 -20.154 4.178 1.00 0.00 C ATOM 1304 CD PRO A 81 32.048 -19.072 5.113 1.00 0.00 C ATOM 0 HA PRO A 81 29.655 -19.316 2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 81 31.343 -21.506 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 81 31.755 -20.021 2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 81 32.804 -21.059 4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 81 33.484 -19.829 3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 81 32.076 -19.400 6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 81 32.655 -18.169 5.047 1.00 0.00 H new ATOM 1312 N GLN A 82 27.984 -20.386 4.353 1.00 0.00 N ATOM 1313 CA GLN A 82 26.950 -21.238 4.917 1.00 0.00 C ATOM 1314 C GLN A 82 25.642 -20.458 5.064 1.00 0.00 C ATOM 1315 O GLN A 82 24.914 -20.637 6.040 1.00 0.00 O ATOM 1316 CB GLN A 82 27.393 -21.823 6.259 1.00 0.00 C ATOM 1317 CG GLN A 82 27.850 -23.274 6.101 1.00 0.00 C ATOM 1318 CD GLN A 82 26.804 -24.242 6.657 1.00 0.00 C ATOM 1319 OE1 GLN A 82 26.145 -24.968 5.931 1.00 0.00 O ATOM 1320 NE2 GLN A 82 26.689 -24.213 7.981 1.00 0.00 N ATOM 0 H GLN A 82 27.654 -19.483 4.013 1.00 0.00 H new ATOM 0 HA GLN A 82 26.780 -22.070 4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 82 28.206 -21.225 6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 82 26.569 -21.773 6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 82 28.027 -23.490 5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 82 28.797 -23.419 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 82 27.272 -23.581 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 82 26.018 -24.823 8.448 1.00 0.00 H new ATOM 1329 N SER A 83 25.383 -19.609 4.081 1.00 0.00 N ATOM 1330 CA SER A 83 24.175 -18.801 4.088 1.00 0.00 C ATOM 1331 C SER A 83 22.995 -19.618 3.558 1.00 0.00 C ATOM 1332 O SER A 83 21.957 -19.712 4.210 1.00 0.00 O ATOM 1333 CB SER A 83 24.357 -17.530 3.256 1.00 0.00 C ATOM 1334 OG SER A 83 24.478 -17.815 1.865 1.00 0.00 O ATOM 0 H SER A 83 25.989 -19.463 3.274 1.00 0.00 H new ATOM 0 HA SER A 83 23.969 -18.503 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 83 23.508 -16.866 3.417 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.246 -16.998 3.596 1.00 0.00 H new ATOM 0 HG SER A 83 25.038 -17.133 1.439 1.00 0.00 H new ATOM 1340 N GLU A 84 23.195 -20.189 2.379 1.00 0.00 N ATOM 1341 CA GLU A 84 22.160 -20.995 1.753 1.00 0.00 C ATOM 1342 C GLU A 84 21.708 -22.108 2.701 1.00 0.00 C ATOM 1343 O GLU A 84 20.578 -22.584 2.611 1.00 0.00 O ATOM 1344 CB GLU A 84 22.646 -21.573 0.422 1.00 0.00 C ATOM 1345 CG GLU A 84 23.815 -22.536 0.637 1.00 0.00 C ATOM 1346 CD GLU A 84 23.360 -23.991 0.502 1.00 0.00 C ATOM 1347 OE1 GLU A 84 22.473 -24.231 -0.346 1.00 0.00 O ATOM 1348 OE2 GLU A 84 23.909 -24.829 1.249 1.00 0.00 O ATOM 0 H GLU A 84 24.058 -20.110 1.841 1.00 0.00 H new ATOM 0 HA GLU A 84 21.304 -20.353 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.827 -22.095 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 84 22.954 -20.763 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 84 24.600 -22.328 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 84 24.245 -22.376 1.626 1.00 0.00 H new ATOM 1355 N ASP A 85 22.614 -22.489 3.590 1.00 0.00 N ATOM 1356 CA ASP A 85 22.322 -23.536 4.554 1.00 0.00 C ATOM 1357 C ASP A 85 21.209 -23.064 5.492 1.00 0.00 C ATOM 1358 O ASP A 85 20.318 -23.836 5.841 1.00 0.00 O ATOM 1359 CB ASP A 85 23.552 -23.860 5.405 1.00 0.00 C ATOM 1360 CG ASP A 85 23.271 -24.695 6.655 1.00 0.00 C ATOM 1361 OD1 ASP A 85 22.877 -24.081 7.671 1.00 0.00 O ATOM 1362 OD2 ASP A 85 23.458 -25.928 6.568 1.00 0.00 O ATOM 0 H ASP A 85 23.550 -22.091 3.663 1.00 0.00 H new ATOM 0 HA ASP A 85 22.020 -24.427 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.274 -24.392 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.021 -22.924 5.709 1.00 0.00 H new ATOM 1367 N MET A 86 21.298 -21.798 5.873 1.00 0.00 N ATOM 1368 CA MET A 86 20.309 -21.214 6.764 1.00 0.00 C ATOM 1369 C MET A 86 18.911 -21.272 6.144 1.00 0.00 C ATOM 1370 O MET A 86 17.968 -21.747 6.774 1.00 0.00 O ATOM 1371 CB MET A 86 20.680 -19.759 7.054 1.00 0.00 C ATOM 1372 CG MET A 86 21.667 -19.666 8.219 1.00 0.00 C ATOM 1373 SD MET A 86 23.245 -19.069 7.636 1.00 0.00 S ATOM 1374 CE MET A 86 22.774 -17.439 7.081 1.00 0.00 C ATOM 0 H MET A 86 22.039 -21.161 5.581 1.00 0.00 H new ATOM 0 HA MET A 86 20.298 -21.787 7.691 1.00 0.00 H new ATOM 0 HB2 MET A 86 21.119 -19.308 6.164 1.00 0.00 H new ATOM 0 HB3 MET A 86 19.780 -19.191 7.289 1.00 0.00 H new ATOM 0 HG2 MET A 86 21.276 -18.996 8.985 1.00 0.00 H new ATOM 0 HG3 MET A 86 21.788 -20.645 8.683 1.00 0.00 H new ATOM 0 HE1 MET A 86 23.656 -16.801 7.037 1.00 0.00 H new ATOM 0 HE2 MET A 86 22.326 -17.508 6.090 1.00 0.00 H new ATOM 0 HE3 MET A 86 22.052 -17.012 7.777 1.00 0.00 H new ATOM 1384 N PHE A 87 18.822 -20.780 4.917 1.00 0.00 N ATOM 1385 CA PHE A 87 17.555 -20.769 4.206 1.00 0.00 C ATOM 1386 C PHE A 87 17.099 -22.192 3.877 1.00 0.00 C ATOM 1387 O PHE A 87 15.902 -22.454 3.768 1.00 0.00 O ATOM 1388 CB PHE A 87 17.782 -20.005 2.900 1.00 0.00 C ATOM 1389 CG PHE A 87 16.935 -18.737 2.765 1.00 0.00 C ATOM 1390 CD1 PHE A 87 16.635 -18.000 3.868 1.00 0.00 C ATOM 1391 CD2 PHE A 87 16.484 -18.348 1.543 1.00 0.00 C ATOM 1392 CE1 PHE A 87 15.849 -16.824 3.743 1.00 0.00 C ATOM 1393 CE2 PHE A 87 15.698 -17.172 1.418 1.00 0.00 C ATOM 1394 CZ PHE A 87 15.397 -16.435 2.521 1.00 0.00 C ATOM 0 H PHE A 87 19.606 -20.386 4.397 1.00 0.00 H new ATOM 0 HA PHE A 87 16.786 -20.303 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 87 18.836 -19.735 2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 87 17.564 -20.666 2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.994 -18.309 4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 87 16.723 -18.933 0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 87 15.610 -16.239 4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.339 -16.863 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 87 14.799 -15.541 2.426 1.00 0.00 H new