USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 855 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 66 GLN : amide:sc= 0 X(o=-0.049,f=-0.049) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -0.0493 USER MOD Set 2.1: A 43 ASN : amide:sc= -4.87! K(o=-8.5!,f=-5.7) USER MOD Set 2.2: A 44 ASN : amide:sc= -3.63! C(o=-8.5!,f=-12!) USER MOD Set 3.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 128 GLN : amide:sc= -0.147 K(o=-0.15,f=-3.9!) USER MOD Set 4.1: A 19 SER OG : rot -168:sc= -1.35 USER MOD Set 4.2: A 22 GLN : amide:sc= 0 X(o=-1.3,f=-1.1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -74:sc= 0.345 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 20 MET CE :methyl -165:sc= -1.27 (180deg=-1.72) USER MOD Single : A 25 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.88) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 90:sc= -4.41! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.432 K(o=-0.43,f=-3.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.687 K(o=0.69,f=-6.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0.00234 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= -0.583 K(o=-0.58,f=-4.1!) USER MOD Single : A 81 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.7!) USER MOD Single : A 82 GLN : amide:sc= -6.89! C(o=-6.9!,f=-17!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.89 X(o=-1.9,f=-2.2!) USER MOD Single : A 93 SER OG : rot -107:sc= 0.965 USER MOD Single : A 94 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.6!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -81:sc= 1.2 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0174 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -10.483 13.095 -5.288 1.00 0.00 N ATOM 67 CA VAL A 8 -9.260 12.306 -5.370 1.00 0.00 C ATOM 68 C VAL A 8 -9.232 11.466 -6.643 1.00 0.00 C ATOM 69 O VAL A 8 -10.252 10.917 -7.060 1.00 0.00 O ATOM 70 CB VAL A 8 -9.109 11.376 -4.152 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.119 10.240 -4.218 1.00 0.00 C ATOM 72 CG2 VAL A 8 -7.690 10.834 -4.068 1.00 0.00 C ATOM 0 HA VAL A 8 -8.429 13.011 -5.385 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.307 11.954 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.997 9.594 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.129 10.651 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.956 9.661 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.601 10.179 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.461 10.271 -4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.989 11.663 -3.969 1.00 0.00 H new ATOM 82 N LYS A 9 -8.057 11.371 -7.257 1.00 0.00 N ATOM 83 CA LYS A 9 -7.894 10.597 -8.481 1.00 0.00 C ATOM 84 C LYS A 9 -7.496 9.158 -8.167 1.00 0.00 C ATOM 85 O LYS A 9 -7.105 8.843 -7.043 1.00 0.00 O ATOM 86 CB LYS A 9 -6.840 11.244 -9.382 1.00 0.00 C ATOM 87 CG LYS A 9 -7.248 12.607 -9.914 1.00 0.00 C ATOM 88 CD LYS A 9 -6.161 13.215 -10.784 1.00 0.00 C ATOM 89 CE LYS A 9 -6.211 12.667 -12.202 1.00 0.00 C ATOM 90 NZ LYS A 9 -5.420 13.502 -13.148 1.00 0.00 N ATOM 0 H LYS A 9 -7.204 11.821 -6.926 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.851 10.585 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.909 11.345 -8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.637 10.581 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.167 12.513 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.463 13.275 -9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.276 14.299 -10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.184 13.007 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.828 11.647 -12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.247 12.621 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.479 13.095 -14.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.801 14.470 -13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.426 13.525 -12.843 1.00 0.00 H new ATOM 104 N PHE A 10 -7.596 8.289 -9.168 1.00 0.00 N ATOM 105 CA PHE A 10 -7.245 6.884 -8.998 1.00 0.00 C ATOM 106 C PHE A 10 -5.968 6.546 -9.761 1.00 0.00 C ATOM 107 O PHE A 10 -5.590 7.245 -10.702 1.00 0.00 O ATOM 108 CB PHE A 10 -8.390 5.989 -9.476 1.00 0.00 C ATOM 109 CG PHE A 10 -9.617 6.072 -8.613 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.544 5.807 -7.255 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.843 6.417 -9.159 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.671 5.882 -6.459 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.973 6.494 -8.368 1.00 0.00 C ATOM 114 CZ PHE A 10 -11.887 6.227 -7.016 1.00 0.00 C ATOM 0 H PHE A 10 -7.917 8.533 -10.105 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.071 6.705 -7.937 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.654 6.265 -10.497 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.045 4.955 -9.504 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.596 5.539 -6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.916 6.628 -10.216 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.601 5.671 -5.402 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.923 6.763 -8.807 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.769 6.288 -6.395 1.00 0.00 H new ATOM 124 N LEU A 11 -5.307 5.470 -9.349 1.00 0.00 N ATOM 125 CA LEU A 11 -4.071 5.038 -9.992 1.00 0.00 C ATOM 126 C LEU A 11 -3.151 6.226 -10.257 1.00 0.00 C ATOM 127 O LEU A 11 -2.536 6.325 -11.319 1.00 0.00 O ATOM 128 CB LEU A 11 -4.382 4.317 -11.305 1.00 0.00 C ATOM 129 CG LEU A 11 -5.287 3.090 -11.199 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.742 2.641 -12.579 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.570 1.958 -10.477 1.00 0.00 C ATOM 0 H LEU A 11 -5.606 4.880 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.561 4.350 -9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.848 5.029 -11.986 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.440 4.011 -11.760 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.169 3.362 -10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.385 1.766 -12.483 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.295 3.448 -13.060 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.872 2.387 -13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.230 1.093 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.670 1.687 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.296 2.283 -9.473 1.00 0.00 H new ATOM 143 N THR A 12 -3.058 7.125 -9.282 1.00 0.00 N ATOM 144 CA THR A 12 -2.212 8.305 -9.408 1.00 0.00 C ATOM 145 C THR A 12 -1.475 8.595 -8.105 1.00 0.00 C ATOM 146 O THR A 12 -2.064 8.554 -7.025 1.00 0.00 O ATOM 147 CB THR A 12 -3.034 9.545 -9.806 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.337 9.480 -9.215 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.163 9.646 -11.319 1.00 0.00 C ATOM 0 H THR A 12 -3.559 7.058 -8.396 1.00 0.00 H new ATOM 0 HA THR A 12 -1.486 8.091 -10.193 1.00 0.00 H new ATOM 0 HB THR A 12 -2.514 10.431 -9.441 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.879 8.817 -9.691 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.748 10.529 -11.576 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.171 9.725 -11.764 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.663 8.756 -11.702 1.00 0.00 H new ATOM 157 N VAL A 13 -0.183 8.888 -8.215 1.00 0.00 N ATOM 158 CA VAL A 13 0.635 9.187 -7.045 1.00 0.00 C ATOM 159 C VAL A 13 0.301 10.562 -6.478 1.00 0.00 C ATOM 160 O VAL A 13 0.558 11.585 -7.111 1.00 0.00 O ATOM 161 CB VAL A 13 2.137 9.134 -7.382 1.00 0.00 C ATOM 162 CG1 VAL A 13 2.968 9.579 -6.189 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.533 7.734 -7.826 1.00 0.00 C ATOM 0 H VAL A 13 0.320 8.925 -9.102 1.00 0.00 H new ATOM 0 HA VAL A 13 0.410 8.425 -6.299 1.00 0.00 H new ATOM 0 HB VAL A 13 2.332 9.821 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.026 9.535 -6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.702 10.602 -5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.772 8.920 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.597 7.714 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.325 7.025 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.961 7.458 -8.712 1.00 0.00 H new ATOM 173 N ASN A 14 -0.274 10.578 -5.280 1.00 0.00 N ATOM 174 CA ASN A 14 -0.644 11.828 -4.626 1.00 0.00 C ATOM 175 C ASN A 14 0.536 12.405 -3.849 1.00 0.00 C ATOM 176 O ASN A 14 1.027 11.793 -2.901 1.00 0.00 O ATOM 177 CB ASN A 14 -1.828 11.604 -3.684 1.00 0.00 C ATOM 178 CG ASN A 14 -2.890 10.709 -4.293 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.266 10.875 -5.454 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.380 9.755 -3.510 1.00 0.00 N ATOM 0 H ASN A 14 -0.494 9.740 -4.742 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.932 12.542 -5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.471 11.159 -2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.271 12.566 -3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.098 9.123 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.039 9.654 -2.554 1.00 0.00 H new ATOM 187 N ASP A 15 0.985 13.587 -4.258 1.00 0.00 N ATOM 188 CA ASP A 15 2.105 14.248 -3.600 1.00 0.00 C ATOM 189 C ASP A 15 1.957 14.189 -2.083 1.00 0.00 C ATOM 190 O ASP A 15 2.866 13.752 -1.377 1.00 0.00 O ATOM 191 CB ASP A 15 2.206 15.704 -4.058 1.00 0.00 C ATOM 192 CG ASP A 15 3.044 15.860 -5.312 1.00 0.00 C ATOM 193 OD1 ASP A 15 4.032 15.111 -5.463 1.00 0.00 O ATOM 194 OD2 ASP A 15 2.710 16.730 -6.143 1.00 0.00 O ATOM 0 H ASP A 15 0.590 14.106 -5.042 1.00 0.00 H new ATOM 0 HA ASP A 15 3.019 13.723 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.205 16.094 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.639 16.304 -3.258 1.00 0.00 H new ATOM 199 N ASP A 16 0.806 14.631 -1.588 1.00 0.00 N ATOM 200 CA ASP A 16 0.538 14.628 -0.155 1.00 0.00 C ATOM 201 C ASP A 16 1.137 13.391 0.507 1.00 0.00 C ATOM 202 O ASP A 16 0.582 12.296 0.415 1.00 0.00 O ATOM 203 CB ASP A 16 -0.968 14.682 0.105 1.00 0.00 C ATOM 204 CG ASP A 16 -1.537 16.076 -0.074 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.041 16.811 -0.953 1.00 0.00 O ATOM 206 OD2 ASP A 16 -2.479 16.431 0.665 1.00 0.00 O ATOM 0 H ASP A 16 0.043 14.996 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 16 1.005 15.512 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.476 13.996 -0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.171 14.337 1.119 1.00 0.00 H new ATOM 211 N ILE A 17 2.272 13.574 1.174 1.00 0.00 N ATOM 212 CA ILE A 17 2.946 12.473 1.851 1.00 0.00 C ATOM 213 C ILE A 17 2.238 12.113 3.153 1.00 0.00 C ATOM 214 O ILE A 17 1.912 12.987 3.957 1.00 0.00 O ATOM 215 CB ILE A 17 4.416 12.814 2.156 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.501 14.070 3.026 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.195 13.006 0.863 1.00 0.00 C ATOM 218 CD1 ILE A 17 5.915 14.447 3.408 1.00 0.00 C ATOM 0 H ILE A 17 2.744 14.474 1.260 1.00 0.00 H new ATOM 0 HA ILE A 17 2.913 11.619 1.174 1.00 0.00 H new ATOM 0 HB ILE A 17 4.860 11.983 2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.043 14.903 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.918 13.914 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.232 13.247 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.158 12.088 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.753 13.821 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.898 15.346 4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.370 13.631 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.497 14.636 2.506 1.00 0.00 H new ATOM 230 N LEU A 18 2.006 10.821 3.356 1.00 0.00 N ATOM 231 CA LEU A 18 1.339 10.344 4.562 1.00 0.00 C ATOM 232 C LEU A 18 1.788 8.928 4.909 1.00 0.00 C ATOM 233 O LEU A 18 1.991 8.097 4.025 1.00 0.00 O ATOM 234 CB LEU A 18 -0.179 10.379 4.377 1.00 0.00 C ATOM 235 CG LEU A 18 -0.821 11.767 4.351 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.285 11.671 3.951 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.679 12.445 5.706 1.00 0.00 C ATOM 0 H LEU A 18 2.270 10.085 2.701 1.00 0.00 H new ATOM 0 HA LEU A 18 1.614 11.004 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.423 9.870 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.636 9.804 5.182 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.302 12.373 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.725 12.668 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.363 11.227 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.818 11.049 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.141 13.431 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.172 11.841 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.378 12.548 5.952 1.00 0.00 H new ATOM 249 N SER A 19 1.938 8.661 6.203 1.00 0.00 N ATOM 250 CA SER A 19 2.364 7.346 6.667 1.00 0.00 C ATOM 251 C SER A 19 1.430 6.257 6.147 1.00 0.00 C ATOM 252 O SER A 19 0.307 6.536 5.728 1.00 0.00 O ATOM 253 CB SER A 19 2.406 7.310 8.196 1.00 0.00 C ATOM 254 OG SER A 19 1.098 7.310 8.742 1.00 0.00 O ATOM 0 H SER A 19 1.771 9.338 6.948 1.00 0.00 H new ATOM 0 HA SER A 19 3.365 7.158 6.278 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.942 6.421 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.959 8.172 8.568 1.00 0.00 H new ATOM 0 HG SER A 19 1.146 7.478 9.706 1.00 0.00 H new ATOM 260 N MET A 20 1.904 5.016 6.176 1.00 0.00 N ATOM 261 CA MET A 20 1.112 3.884 5.709 1.00 0.00 C ATOM 262 C MET A 20 -0.268 3.882 6.359 1.00 0.00 C ATOM 263 O MET A 20 -1.297 3.795 5.687 1.00 0.00 O ATOM 264 CB MET A 20 1.833 2.569 6.012 1.00 0.00 C ATOM 265 CG MET A 20 1.618 1.501 4.953 1.00 0.00 C ATOM 266 SD MET A 20 0.203 0.442 5.311 1.00 0.00 S ATOM 267 CE MET A 20 -0.206 -0.144 3.669 1.00 0.00 C ATOM 0 H MET A 20 2.833 4.769 6.518 1.00 0.00 H new ATOM 0 HA MET A 20 0.987 3.981 4.631 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.901 2.764 6.109 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.490 2.189 6.974 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.473 1.979 3.984 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.515 0.887 4.874 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.202 -0.587 3.678 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.187 0.692 2.969 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.522 -0.894 3.359 1.00 0.00 H new ATOM 277 N PRO A 21 -0.294 3.979 7.696 1.00 0.00 N ATOM 278 CA PRO A 21 -1.542 3.990 8.465 1.00 0.00 C ATOM 279 C PRO A 21 -2.339 5.274 8.259 1.00 0.00 C ATOM 280 O PRO A 21 -3.475 5.390 8.717 1.00 0.00 O ATOM 281 CB PRO A 21 -1.066 3.884 9.916 1.00 0.00 C ATOM 282 CG PRO A 21 0.316 4.441 9.903 1.00 0.00 C ATOM 283 CD PRO A 21 0.893 4.086 8.561 1.00 0.00 C ATOM 0 HA PRO A 21 -2.214 3.187 8.162 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.714 4.448 10.587 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.073 2.850 10.260 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.303 5.521 10.049 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.915 4.018 10.710 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.582 4.852 8.205 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.449 3.149 8.598 1.00 0.00 H new ATOM 291 N GLN A 22 -1.735 6.235 7.566 1.00 0.00 N ATOM 292 CA GLN A 22 -2.389 7.510 7.300 1.00 0.00 C ATOM 293 C GLN A 22 -2.955 7.547 5.884 1.00 0.00 C ATOM 294 O GLN A 22 -3.994 8.158 5.636 1.00 0.00 O ATOM 295 CB GLN A 22 -1.405 8.664 7.498 1.00 0.00 C ATOM 296 CG GLN A 22 -1.266 9.104 8.947 1.00 0.00 C ATOM 297 CD GLN A 22 -0.447 10.370 9.096 1.00 0.00 C ATOM 298 OE1 GLN A 22 0.783 10.328 9.128 1.00 0.00 O ATOM 299 NE2 GLN A 22 -1.126 11.508 9.188 1.00 0.00 N ATOM 0 H GLN A 22 -0.795 6.154 7.179 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.213 7.620 8.005 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.427 8.364 7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.730 9.514 6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.257 9.265 9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.800 8.304 9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.145 11.498 9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.628 12.392 9.290 1.00 0.00 H new ATOM 308 N ALA A 23 -2.265 6.888 4.959 1.00 0.00 N ATOM 309 CA ALA A 23 -2.700 6.844 3.569 1.00 0.00 C ATOM 310 C ALA A 23 -3.922 5.948 3.404 1.00 0.00 C ATOM 311 O ALA A 23 -5.016 6.424 3.100 1.00 0.00 O ATOM 312 CB ALA A 23 -1.566 6.362 2.676 1.00 0.00 C ATOM 0 H ALA A 23 -1.402 6.377 5.147 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.980 7.854 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.905 6.334 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.720 7.044 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.260 5.362 2.985 1.00 0.00 H new ATOM 318 N ARG A 24 -3.729 4.648 3.606 1.00 0.00 N ATOM 319 CA ARG A 24 -4.817 3.686 3.478 1.00 0.00 C ATOM 320 C ARG A 24 -6.116 4.254 4.042 1.00 0.00 C ATOM 321 O ARG A 24 -7.186 4.075 3.464 1.00 0.00 O ATOM 322 CB ARG A 24 -4.461 2.384 4.199 1.00 0.00 C ATOM 323 CG ARG A 24 -4.298 2.545 5.701 1.00 0.00 C ATOM 324 CD ARG A 24 -3.676 1.307 6.329 1.00 0.00 C ATOM 325 NE ARG A 24 -3.939 1.231 7.764 1.00 0.00 N ATOM 326 CZ ARG A 24 -3.909 0.099 8.457 1.00 0.00 C ATOM 327 NH1 ARG A 24 -3.628 -1.047 7.851 1.00 0.00 N ATOM 328 NH2 ARG A 24 -4.159 0.110 9.761 1.00 0.00 N ATOM 0 H ARG A 24 -2.830 4.237 3.859 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.963 3.479 2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.239 1.646 4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.535 1.989 3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.673 3.413 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.270 2.736 6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.070 0.416 5.840 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.600 1.315 6.158 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.158 2.095 8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.434 -1.060 6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.606 -1.915 8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.374 0.989 10.232 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.136 -0.760 10.292 1.00 0.00 H new ATOM 342 N ASN A 25 -6.012 4.939 5.176 1.00 0.00 N ATOM 343 CA ASN A 25 -7.178 5.533 5.820 1.00 0.00 C ATOM 344 C ASN A 25 -7.787 6.624 4.944 1.00 0.00 C ATOM 345 O ASN A 25 -9.008 6.731 4.826 1.00 0.00 O ATOM 346 CB ASN A 25 -6.795 6.112 7.183 1.00 0.00 C ATOM 347 CG ASN A 25 -7.654 7.301 7.568 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.883 7.236 7.516 1.00 0.00 O ATOM 349 ND2 ASN A 25 -7.011 8.395 7.959 1.00 0.00 N ATOM 0 H ASN A 25 -5.132 5.097 5.668 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.922 4.749 5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.890 5.337 7.944 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.748 6.414 7.165 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.537 9.226 8.231 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.991 8.405 7.987 1.00 0.00 H new ATOM 356 N PHE A 26 -6.927 7.431 4.331 1.00 0.00 N ATOM 357 CA PHE A 26 -7.379 8.514 3.466 1.00 0.00 C ATOM 358 C PHE A 26 -8.102 7.964 2.239 1.00 0.00 C ATOM 359 O PHE A 26 -9.254 8.309 1.976 1.00 0.00 O ATOM 360 CB PHE A 26 -6.193 9.376 3.029 1.00 0.00 C ATOM 361 CG PHE A 26 -6.561 10.447 2.043 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.850 10.125 0.727 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.617 11.776 2.432 1.00 0.00 C ATOM 364 CE1 PHE A 26 -7.188 11.109 -0.183 1.00 0.00 C ATOM 365 CE2 PHE A 26 -6.955 12.764 1.527 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.242 12.430 0.218 1.00 0.00 C ATOM 0 H PHE A 26 -5.913 7.355 4.417 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.077 9.130 4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.748 9.841 3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.431 8.734 2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.811 9.094 0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.394 12.043 3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.410 10.845 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.995 13.796 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.508 13.200 -0.491 1.00 0.00 H new ATOM 376 N CYS A 27 -7.415 7.108 1.490 1.00 0.00 N ATOM 377 CA CYS A 27 -7.989 6.510 0.290 1.00 0.00 C ATOM 378 C CYS A 27 -9.402 6.001 0.558 1.00 0.00 C ATOM 379 O CYS A 27 -10.297 6.157 -0.272 1.00 0.00 O ATOM 380 CB CYS A 27 -7.107 5.362 -0.205 1.00 0.00 C ATOM 381 SG CYS A 27 -5.525 5.900 -0.931 1.00 0.00 S ATOM 0 H CYS A 27 -6.460 6.813 1.693 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.039 7.279 -0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.902 4.690 0.628 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.660 4.788 -0.949 1.00 0.00 H new ATOM 386 N ALA A 28 -9.595 5.392 1.723 1.00 0.00 N ATOM 387 CA ALA A 28 -10.898 4.862 2.102 1.00 0.00 C ATOM 388 C ALA A 28 -11.933 5.977 2.213 1.00 0.00 C ATOM 389 O ALA A 28 -12.998 5.912 1.599 1.00 0.00 O ATOM 390 CB ALA A 28 -10.798 4.101 3.416 1.00 0.00 C ATOM 0 H ALA A 28 -8.864 5.253 2.421 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.223 4.175 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.779 3.711 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.097 3.274 3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.446 4.772 4.199 1.00 0.00 H new ATOM 396 N SER A 29 -11.613 6.999 3.001 1.00 0.00 N ATOM 397 CA SER A 29 -12.517 8.126 3.195 1.00 0.00 C ATOM 398 C SER A 29 -12.839 8.801 1.865 1.00 0.00 C ATOM 399 O SER A 29 -13.973 9.214 1.625 1.00 0.00 O ATOM 400 CB SER A 29 -11.900 9.142 4.159 1.00 0.00 C ATOM 401 OG SER A 29 -12.867 10.077 4.603 1.00 0.00 O ATOM 0 H SER A 29 -10.735 7.069 3.515 1.00 0.00 H new ATOM 0 HA SER A 29 -13.444 7.746 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.473 8.622 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.082 9.667 3.665 1.00 0.00 H new ATOM 0 HG SER A 29 -12.448 10.714 5.219 1.00 0.00 H new ATOM 407 N ALA A 30 -11.832 8.908 1.004 1.00 0.00 N ATOM 408 CA ALA A 30 -12.007 9.529 -0.302 1.00 0.00 C ATOM 409 C ALA A 30 -12.928 8.697 -1.188 1.00 0.00 C ATOM 410 O ALA A 30 -13.781 9.236 -1.892 1.00 0.00 O ATOM 411 CB ALA A 30 -10.658 9.725 -0.978 1.00 0.00 C ATOM 0 H ALA A 30 -10.887 8.572 1.188 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.472 10.503 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.804 10.190 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.031 10.368 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.171 8.758 -1.106 1.00 0.00 H new ATOM 417 N GLY A 31 -12.750 7.380 -1.147 1.00 0.00 N ATOM 418 CA GLY A 31 -13.572 6.495 -1.951 1.00 0.00 C ATOM 419 C GLY A 31 -12.752 5.467 -2.704 1.00 0.00 C ATOM 420 O GLY A 31 -12.984 5.224 -3.888 1.00 0.00 O ATOM 0 H GLY A 31 -12.051 6.910 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.287 5.984 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.149 7.086 -2.662 1.00 0.00 H new ATOM 424 N GLY A 32 -11.788 4.861 -2.017 1.00 0.00 N ATOM 425 CA GLY A 32 -10.944 3.862 -2.645 1.00 0.00 C ATOM 426 C GLY A 32 -9.956 3.245 -1.676 1.00 0.00 C ATOM 427 O GLY A 32 -10.025 3.486 -0.470 1.00 0.00 O ATOM 0 H GLY A 32 -11.577 5.045 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.570 3.077 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.400 4.318 -3.472 1.00 0.00 H new ATOM 431 N TYR A 33 -9.034 2.446 -2.202 1.00 0.00 N ATOM 432 CA TYR A 33 -8.030 1.789 -1.374 1.00 0.00 C ATOM 433 C TYR A 33 -6.696 1.692 -2.109 1.00 0.00 C ATOM 434 O TYR A 33 -6.647 1.741 -3.339 1.00 0.00 O ATOM 435 CB TYR A 33 -8.505 0.392 -0.970 1.00 0.00 C ATOM 436 CG TYR A 33 -9.078 -0.408 -2.118 1.00 0.00 C ATOM 437 CD1 TYR A 33 -8.256 -0.910 -3.119 1.00 0.00 C ATOM 438 CD2 TYR A 33 -10.442 -0.661 -2.201 1.00 0.00 C ATOM 439 CE1 TYR A 33 -8.776 -1.641 -4.170 1.00 0.00 C ATOM 440 CE2 TYR A 33 -10.970 -1.392 -3.248 1.00 0.00 C ATOM 441 CZ TYR A 33 -10.133 -1.880 -4.230 1.00 0.00 C ATOM 442 OH TYR A 33 -10.654 -2.608 -5.274 1.00 0.00 O ATOM 0 H TYR A 33 -8.961 2.238 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.887 2.390 -0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.668 -0.156 -0.538 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.261 0.486 -0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.193 -0.726 -3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.100 -0.280 -1.434 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.123 -2.023 -4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.032 -1.580 -3.297 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.625 -2.686 -5.166 1.00 0.00 H new ATOM 452 N LEU A 34 -5.617 1.553 -1.347 1.00 0.00 N ATOM 453 CA LEU A 34 -4.281 1.448 -1.924 1.00 0.00 C ATOM 454 C LEU A 34 -4.280 0.507 -3.125 1.00 0.00 C ATOM 455 O LEU A 34 -4.944 -0.529 -3.115 1.00 0.00 O ATOM 456 CB LEU A 34 -3.287 0.953 -0.872 1.00 0.00 C ATOM 457 CG LEU A 34 -2.773 2.004 0.112 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.058 1.338 1.278 1.00 0.00 C ATOM 459 CD2 LEU A 34 -1.849 2.987 -0.592 1.00 0.00 C ATOM 0 H LEU A 34 -5.641 1.510 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.978 2.439 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.759 0.152 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.431 0.517 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.627 2.556 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.699 2.101 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.749 0.675 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.213 0.760 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.493 3.728 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.999 2.450 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.393 3.488 -1.393 1.00 0.00 H new ATOM 471 N ALA A 35 -3.527 0.874 -4.157 1.00 0.00 N ATOM 472 CA ALA A 35 -3.436 0.061 -5.363 1.00 0.00 C ATOM 473 C ALA A 35 -2.399 -1.046 -5.201 1.00 0.00 C ATOM 474 O ALA A 35 -1.210 -0.776 -5.034 1.00 0.00 O ATOM 475 CB ALA A 35 -3.097 0.933 -6.563 1.00 0.00 C ATOM 0 H ALA A 35 -2.971 1.729 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.406 -0.407 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.032 0.313 -7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.875 1.684 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.140 1.428 -6.395 1.00 0.00 H new ATOM 481 N ASP A 36 -2.858 -2.291 -5.252 1.00 0.00 N ATOM 482 CA ASP A 36 -1.971 -3.440 -5.111 1.00 0.00 C ATOM 483 C ASP A 36 -1.040 -3.558 -6.315 1.00 0.00 C ATOM 484 O ASP A 36 -1.215 -2.866 -7.317 1.00 0.00 O ATOM 485 CB ASP A 36 -2.785 -4.725 -4.953 1.00 0.00 C ATOM 486 CG ASP A 36 -4.003 -4.533 -4.071 1.00 0.00 C ATOM 487 OD1 ASP A 36 -3.897 -3.802 -3.064 1.00 0.00 O ATOM 488 OD2 ASP A 36 -5.063 -5.114 -4.387 1.00 0.00 O ATOM 0 H ASP A 36 -3.840 -2.531 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.365 -3.292 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.103 -5.074 -5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.151 -5.503 -4.528 1.00 0.00 H new ATOM 493 N ASP A 37 -0.051 -4.438 -6.207 1.00 0.00 N ATOM 494 CA ASP A 37 0.907 -4.647 -7.286 1.00 0.00 C ATOM 495 C ASP A 37 0.851 -6.085 -7.791 1.00 0.00 C ATOM 496 O ASP A 37 1.871 -6.660 -8.175 1.00 0.00 O ATOM 497 CB ASP A 37 2.323 -4.315 -6.811 1.00 0.00 C ATOM 498 CG ASP A 37 2.437 -2.902 -6.274 1.00 0.00 C ATOM 499 OD1 ASP A 37 1.899 -2.638 -5.177 1.00 0.00 O ATOM 500 OD2 ASP A 37 3.065 -2.060 -6.949 1.00 0.00 O ATOM 0 H ASP A 37 0.108 -5.018 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 37 0.642 -3.982 -8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.617 -5.021 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.020 -4.443 -7.639 1.00 0.00 H new ATOM 505 N LEU A 38 -0.345 -6.662 -7.788 1.00 0.00 N ATOM 506 CA LEU A 38 -0.535 -8.034 -8.245 1.00 0.00 C ATOM 507 C LEU A 38 -0.866 -8.071 -9.734 1.00 0.00 C ATOM 508 O LEU A 38 -2.012 -7.863 -10.130 1.00 0.00 O ATOM 509 CB LEU A 38 -1.651 -8.709 -7.446 1.00 0.00 C ATOM 510 CG LEU A 38 -1.353 -8.974 -5.969 1.00 0.00 C ATOM 511 CD1 LEU A 38 -2.645 -9.178 -5.193 1.00 0.00 C ATOM 512 CD2 LEU A 38 -0.441 -10.182 -5.817 1.00 0.00 C ATOM 0 H LEU A 38 -1.199 -6.201 -7.474 1.00 0.00 H new ATOM 0 HA LEU A 38 0.397 -8.576 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.544 -8.087 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.889 -9.659 -7.924 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.840 -8.104 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.414 -9.365 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.263 -8.284 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.185 -10.031 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.240 -10.355 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.926 -11.060 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.498 -9.997 -6.339 1.00 0.00 H new ATOM 524 N GLY A 39 0.146 -8.340 -10.554 1.00 0.00 N ATOM 525 CA GLY A 39 -0.059 -8.401 -11.989 1.00 0.00 C ATOM 526 C GLY A 39 1.119 -7.850 -12.767 1.00 0.00 C ATOM 527 O GLY A 39 1.486 -6.685 -12.609 1.00 0.00 O ATOM 0 H GLY A 39 1.103 -8.517 -10.250 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.233 -9.436 -12.284 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.957 -7.840 -12.249 1.00 0.00 H new ATOM 531 N ASP A 40 1.716 -8.689 -13.607 1.00 0.00 N ATOM 532 CA ASP A 40 2.860 -8.279 -14.412 1.00 0.00 C ATOM 533 C ASP A 40 2.626 -6.904 -15.030 1.00 0.00 C ATOM 534 O ASP A 40 3.489 -6.028 -14.963 1.00 0.00 O ATOM 535 CB ASP A 40 3.131 -9.306 -15.513 1.00 0.00 C ATOM 536 CG ASP A 40 3.574 -10.646 -14.958 1.00 0.00 C ATOM 537 OD1 ASP A 40 4.708 -10.728 -14.442 1.00 0.00 O ATOM 538 OD2 ASP A 40 2.788 -11.612 -15.040 1.00 0.00 O ATOM 0 H ASP A 40 1.426 -9.657 -13.748 1.00 0.00 H new ATOM 0 HA ASP A 40 3.730 -8.220 -13.758 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.228 -9.443 -16.108 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.900 -8.922 -16.183 1.00 0.00 H new ATOM 543 N ASP A 41 1.456 -6.722 -15.630 1.00 0.00 N ATOM 544 CA ASP A 41 1.108 -5.453 -16.260 1.00 0.00 C ATOM 545 C ASP A 41 0.829 -4.384 -15.209 1.00 0.00 C ATOM 546 O ASP A 41 1.058 -3.196 -15.440 1.00 0.00 O ATOM 547 CB ASP A 41 -0.112 -5.627 -17.166 1.00 0.00 C ATOM 548 CG ASP A 41 0.185 -6.485 -18.380 1.00 0.00 C ATOM 549 OD1 ASP A 41 0.263 -7.722 -18.227 1.00 0.00 O ATOM 550 OD2 ASP A 41 0.339 -5.920 -19.482 1.00 0.00 O ATOM 0 H ASP A 41 0.731 -7.437 -15.694 1.00 0.00 H new ATOM 0 HA ASP A 41 1.956 -5.130 -16.864 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.923 -6.079 -16.595 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.460 -4.647 -17.494 1.00 0.00 H new ATOM 555 N LYS A 42 0.332 -4.812 -14.053 1.00 0.00 N ATOM 556 CA LYS A 42 0.021 -3.892 -12.965 1.00 0.00 C ATOM 557 C LYS A 42 1.283 -3.195 -12.465 1.00 0.00 C ATOM 558 O LYS A 42 1.375 -1.969 -12.488 1.00 0.00 O ATOM 559 CB LYS A 42 -0.651 -4.642 -11.813 1.00 0.00 C ATOM 560 CG LYS A 42 -1.507 -3.754 -10.927 1.00 0.00 C ATOM 561 CD LYS A 42 -2.913 -3.600 -11.485 1.00 0.00 C ATOM 562 CE LYS A 42 -3.848 -2.961 -10.470 1.00 0.00 C ATOM 563 NZ LYS A 42 -4.393 -3.960 -9.510 1.00 0.00 N ATOM 0 H LYS A 42 0.136 -5.791 -13.845 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.664 -3.135 -13.346 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.272 -5.439 -12.222 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.117 -5.118 -11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.557 -4.178 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.041 -2.773 -10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.883 -2.990 -12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.300 -4.577 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.313 -2.185 -9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.671 -2.473 -10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.025 -3.484 -8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.925 -4.687 -10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.610 -4.408 -8.993 1.00 0.00 H new ATOM 577 N ASN A 43 2.252 -3.986 -12.016 1.00 0.00 N ATOM 578 CA ASN A 43 3.508 -3.443 -11.511 1.00 0.00 C ATOM 579 C ASN A 43 4.191 -2.579 -12.567 1.00 0.00 C ATOM 580 O ASN A 43 4.485 -1.408 -12.330 1.00 0.00 O ATOM 581 CB ASN A 43 4.442 -4.577 -11.082 1.00 0.00 C ATOM 582 CG ASN A 43 5.889 -4.133 -10.996 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.441 -3.989 -9.905 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.510 -3.914 -12.148 1.00 0.00 N ATOM 0 H ASN A 43 2.192 -5.004 -11.991 1.00 0.00 H new ATOM 0 HA ASN A 43 3.283 -2.819 -10.646 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.124 -4.959 -10.112 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.359 -5.400 -11.791 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.485 -3.613 -12.153 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.013 -4.046 -13.029 1.00 0.00 H new ATOM 591 N ASN A 44 4.439 -3.166 -13.733 1.00 0.00 N ATOM 592 CA ASN A 44 5.087 -2.450 -14.826 1.00 0.00 C ATOM 593 C ASN A 44 4.430 -1.092 -15.052 1.00 0.00 C ATOM 594 O ASN A 44 5.109 -0.069 -15.143 1.00 0.00 O ATOM 595 CB ASN A 44 5.028 -3.278 -16.112 1.00 0.00 C ATOM 596 CG ASN A 44 5.494 -4.706 -15.902 1.00 0.00 C ATOM 597 OD1 ASN A 44 5.735 -5.132 -14.772 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.623 -5.452 -16.993 1.00 0.00 N ATOM 0 H ASN A 44 4.201 -4.135 -13.945 1.00 0.00 H new ATOM 0 HA ASN A 44 6.130 -2.288 -14.553 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.006 -3.284 -16.490 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.647 -2.805 -16.874 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.933 -6.421 -16.915 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.412 -5.056 -17.909 1.00 0.00 H new ATOM 605 N PHE A 45 3.104 -1.090 -15.142 1.00 0.00 N ATOM 606 CA PHE A 45 2.355 0.142 -15.357 1.00 0.00 C ATOM 607 C PHE A 45 2.750 1.205 -14.336 1.00 0.00 C ATOM 608 O PHE A 45 2.794 2.395 -14.648 1.00 0.00 O ATOM 609 CB PHE A 45 0.851 -0.129 -15.272 1.00 0.00 C ATOM 610 CG PHE A 45 0.041 1.088 -14.928 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.275 2.023 -15.901 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.405 1.297 -13.633 1.00 0.00 C ATOM 613 CE1 PHE A 45 -1.020 3.144 -15.588 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.151 2.416 -13.315 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.459 3.341 -14.293 1.00 0.00 C ATOM 0 H PHE A 45 2.527 -1.928 -15.069 1.00 0.00 H new ATOM 0 HA PHE A 45 2.595 0.514 -16.353 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.507 -0.526 -16.227 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.671 -0.899 -14.522 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.065 1.874 -16.915 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.167 0.577 -12.864 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.259 3.866 -16.355 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.493 2.567 -12.302 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.042 4.216 -14.046 1.00 0.00 H new ATOM 625 N TYR A 46 3.035 0.766 -13.115 1.00 0.00 N ATOM 626 CA TYR A 46 3.424 1.679 -12.046 1.00 0.00 C ATOM 627 C TYR A 46 4.846 2.189 -12.256 1.00 0.00 C ATOM 628 O TYR A 46 5.100 3.392 -12.203 1.00 0.00 O ATOM 629 CB TYR A 46 3.313 0.984 -10.688 1.00 0.00 C ATOM 630 CG TYR A 46 1.888 0.775 -10.229 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.984 1.829 -10.203 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.446 -0.478 -9.821 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.319 1.642 -9.783 1.00 0.00 C ATOM 634 CE2 TYR A 46 0.144 -0.674 -9.401 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.734 0.389 -9.384 1.00 0.00 C ATOM 636 OH TYR A 46 -2.031 0.199 -8.966 1.00 0.00 O ATOM 0 H TYR A 46 3.004 -0.216 -12.841 1.00 0.00 H new ATOM 0 HA TYR A 46 2.746 2.532 -12.066 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.814 0.017 -10.742 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.843 1.576 -9.942 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.305 2.811 -10.516 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.132 -1.312 -9.832 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.009 2.473 -9.767 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.184 -1.654 -9.088 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.591 -0.038 -9.734 1.00 0.00 H new ATOM 646 N SER A 47 5.770 1.263 -12.494 1.00 0.00 N ATOM 647 CA SER A 47 7.169 1.617 -12.708 1.00 0.00 C ATOM 648 C SER A 47 7.288 2.822 -13.636 1.00 0.00 C ATOM 649 O SER A 47 8.215 3.623 -13.515 1.00 0.00 O ATOM 650 CB SER A 47 7.933 0.429 -13.295 1.00 0.00 C ATOM 651 OG SER A 47 9.322 0.701 -13.368 1.00 0.00 O ATOM 0 H SER A 47 5.575 0.263 -12.543 1.00 0.00 H new ATOM 0 HA SER A 47 7.604 1.879 -11.744 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.764 -0.455 -12.680 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.551 0.203 -14.290 1.00 0.00 H new ATOM 0 HG SER A 47 9.788 -0.074 -13.745 1.00 0.00 H new ATOM 657 N SER A 48 6.343 2.944 -14.562 1.00 0.00 N ATOM 658 CA SER A 48 6.343 4.049 -15.514 1.00 0.00 C ATOM 659 C SER A 48 6.088 5.376 -14.806 1.00 0.00 C ATOM 660 O SER A 48 6.863 6.323 -14.941 1.00 0.00 O ATOM 661 CB SER A 48 5.282 3.820 -16.593 1.00 0.00 C ATOM 662 OG SER A 48 5.564 2.655 -17.347 1.00 0.00 O ATOM 0 H SER A 48 5.567 2.291 -14.674 1.00 0.00 H new ATOM 0 HA SER A 48 7.325 4.092 -15.984 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.300 3.727 -16.128 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.240 4.684 -17.256 1.00 0.00 H new ATOM 0 HG SER A 48 4.871 2.530 -18.028 1.00 0.00 H new ATOM 668 N ILE A 49 4.996 5.436 -14.052 1.00 0.00 N ATOM 669 CA ILE A 49 4.638 6.646 -13.322 1.00 0.00 C ATOM 670 C ILE A 49 5.496 6.807 -12.072 1.00 0.00 C ATOM 671 O ILE A 49 5.549 7.884 -11.478 1.00 0.00 O ATOM 672 CB ILE A 49 3.153 6.639 -12.914 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.873 5.490 -11.944 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.266 6.528 -14.146 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.575 5.644 -11.183 1.00 0.00 C ATOM 0 H ILE A 49 4.344 4.661 -13.930 1.00 0.00 H new ATOM 0 HA ILE A 49 4.817 7.485 -13.994 1.00 0.00 H new ATOM 0 HB ILE A 49 2.926 7.578 -12.410 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.849 4.553 -12.501 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.695 5.417 -11.232 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.219 6.524 -13.842 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.449 7.377 -14.804 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.493 5.603 -14.676 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.442 4.793 -10.515 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.603 6.564 -10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.744 5.686 -11.887 1.00 0.00 H new ATOM 687 N ALA A 50 6.168 5.730 -11.679 1.00 0.00 N ATOM 688 CA ALA A 50 7.027 5.753 -10.501 1.00 0.00 C ATOM 689 C ALA A 50 8.412 6.292 -10.842 1.00 0.00 C ATOM 690 O ALA A 50 9.386 6.012 -10.145 1.00 0.00 O ATOM 691 CB ALA A 50 7.134 4.359 -9.899 1.00 0.00 C ATOM 0 H ALA A 50 6.134 4.831 -12.159 1.00 0.00 H new ATOM 0 HA ALA A 50 6.577 6.421 -9.766 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.778 4.391 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.143 4.011 -9.610 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.558 3.676 -10.635 1.00 0.00 H new ATOM 697 N ALA A 51 8.491 7.067 -11.919 1.00 0.00 N ATOM 698 CA ALA A 51 9.757 7.646 -12.352 1.00 0.00 C ATOM 699 C ALA A 51 10.467 8.340 -11.195 1.00 0.00 C ATOM 700 O ALA A 51 10.231 9.518 -10.927 1.00 0.00 O ATOM 701 CB ALA A 51 9.526 8.624 -13.495 1.00 0.00 C ATOM 0 H ALA A 51 7.694 7.308 -12.507 1.00 0.00 H new ATOM 0 HA ALA A 51 10.397 6.837 -12.704 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.480 9.049 -13.809 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.068 8.101 -14.335 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.865 9.424 -13.162 1.00 0.00 H new ATOM 707 N ASN A 52 11.336 7.603 -10.512 1.00 0.00 N ATOM 708 CA ASN A 52 12.079 8.148 -9.382 1.00 0.00 C ATOM 709 C ASN A 52 11.133 8.581 -8.266 1.00 0.00 C ATOM 710 O ASN A 52 11.355 9.597 -7.607 1.00 0.00 O ATOM 711 CB ASN A 52 12.933 9.336 -9.831 1.00 0.00 C ATOM 712 CG ASN A 52 14.069 8.918 -10.745 1.00 0.00 C ATOM 713 OD1 ASN A 52 15.159 8.581 -10.284 1.00 0.00 O ATOM 714 ND2 ASN A 52 13.817 8.940 -12.049 1.00 0.00 N ATOM 0 H ASN A 52 11.543 6.626 -10.721 1.00 0.00 H new ATOM 0 HA ASN A 52 12.732 7.364 -8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.302 10.059 -10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.342 9.838 -8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.543 8.670 -12.713 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.898 9.227 -12.386 1.00 0.00 H new ATOM 721 N THR A 53 10.076 7.801 -8.058 1.00 0.00 N ATOM 722 CA THR A 53 9.095 8.103 -7.023 1.00 0.00 C ATOM 723 C THR A 53 8.818 6.881 -6.155 1.00 0.00 C ATOM 724 O THR A 53 8.481 5.812 -6.663 1.00 0.00 O ATOM 725 CB THR A 53 7.770 8.598 -7.632 1.00 0.00 C ATOM 726 OG1 THR A 53 8.019 9.682 -8.534 1.00 0.00 O ATOM 727 CG2 THR A 53 6.809 9.049 -6.543 1.00 0.00 C ATOM 0 H THR A 53 9.878 6.955 -8.593 1.00 0.00 H new ATOM 0 HA THR A 53 9.520 8.895 -6.406 1.00 0.00 H new ATOM 0 HB THR A 53 7.315 7.770 -8.176 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.171 9.989 -8.918 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.880 9.394 -6.997 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.598 8.214 -5.875 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.259 9.863 -5.975 1.00 0.00 H new ATOM 735 N GLN A 54 8.961 7.047 -4.844 1.00 0.00 N ATOM 736 CA GLN A 54 8.725 5.956 -3.906 1.00 0.00 C ATOM 737 C GLN A 54 7.439 6.184 -3.118 1.00 0.00 C ATOM 738 O GLN A 54 7.377 7.054 -2.250 1.00 0.00 O ATOM 739 CB GLN A 54 9.908 5.816 -2.946 1.00 0.00 C ATOM 740 CG GLN A 54 11.260 5.838 -3.640 1.00 0.00 C ATOM 741 CD GLN A 54 12.363 6.380 -2.751 1.00 0.00 C ATOM 742 OE1 GLN A 54 12.099 7.065 -1.762 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.607 6.076 -3.100 1.00 0.00 N ATOM 0 H GLN A 54 9.239 7.926 -4.408 1.00 0.00 H new ATOM 0 HA GLN A 54 8.620 5.034 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.870 6.624 -2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.808 4.882 -2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.518 4.828 -3.958 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.192 6.448 -4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.780 5.505 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.390 6.413 -2.541 1.00 0.00 H new ATOM 752 N PHE A 55 6.415 5.396 -3.428 1.00 0.00 N ATOM 753 CA PHE A 55 5.129 5.513 -2.749 1.00 0.00 C ATOM 754 C PHE A 55 4.727 4.185 -2.114 1.00 0.00 C ATOM 755 O PHE A 55 5.318 3.144 -2.400 1.00 0.00 O ATOM 756 CB PHE A 55 4.049 5.969 -3.733 1.00 0.00 C ATOM 757 CG PHE A 55 3.796 4.988 -4.842 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.712 4.835 -5.871 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.644 4.219 -4.856 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.481 3.934 -6.893 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.408 3.317 -5.876 1.00 0.00 C ATOM 762 CZ PHE A 55 3.328 3.173 -6.895 1.00 0.00 C ATOM 0 H PHE A 55 6.450 4.670 -4.144 1.00 0.00 H new ATOM 0 HA PHE A 55 5.229 6.258 -1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.120 6.137 -3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.343 6.926 -4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.616 5.426 -5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.922 4.326 -4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.202 3.825 -7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.505 2.725 -5.876 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.147 2.467 -7.692 1.00 0.00 H new ATOM 772 N TRP A 56 3.718 4.231 -1.251 1.00 0.00 N ATOM 773 CA TRP A 56 3.237 3.032 -0.574 1.00 0.00 C ATOM 774 C TRP A 56 2.359 2.198 -1.502 1.00 0.00 C ATOM 775 O TRP A 56 1.893 2.685 -2.532 1.00 0.00 O ATOM 776 CB TRP A 56 2.454 3.411 0.684 1.00 0.00 C ATOM 777 CG TRP A 56 3.295 4.084 1.726 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.181 5.372 2.164 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.378 3.502 2.459 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.129 5.627 3.126 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.876 4.496 3.325 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.976 2.239 2.470 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.942 4.263 4.190 1.00 0.00 C ATOM 784 CZ3 TRP A 56 6.034 2.010 3.329 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.508 3.017 4.180 1.00 0.00 C ATOM 0 H TRP A 56 3.218 5.085 -1.004 1.00 0.00 H new ATOM 0 HA TRP A 56 4.103 2.434 -0.288 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.633 4.072 0.407 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.009 2.512 1.111 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.453 6.086 1.807 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.256 6.514 3.613 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.618 1.456 1.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.309 5.038 4.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.504 1.038 3.345 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.336 2.806 4.841 1.00 0.00 H new ATOM 796 N ILE A 57 2.139 0.942 -1.130 1.00 0.00 N ATOM 797 CA ILE A 57 1.317 0.042 -1.929 1.00 0.00 C ATOM 798 C ILE A 57 0.364 -0.759 -1.049 1.00 0.00 C ATOM 799 O ILE A 57 0.311 -0.564 0.165 1.00 0.00 O ATOM 800 CB ILE A 57 2.182 -0.933 -2.749 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.159 -1.675 -1.835 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.933 -0.184 -3.840 1.00 0.00 C ATOM 803 CD1 ILE A 57 3.885 -2.810 -2.522 1.00 0.00 C ATOM 0 H ILE A 57 2.518 0.524 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 57 0.740 0.665 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 57 1.529 -1.666 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.892 -0.967 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.614 -2.069 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.540 -0.886 -4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.219 0.303 -4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.578 0.568 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.561 -3.291 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.160 -3.539 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.458 -2.419 -3.363 1.00 0.00 H new ATOM 815 N GLY A 58 -0.388 -1.663 -1.669 1.00 0.00 N ATOM 816 CA GLY A 58 -1.328 -2.482 -0.927 1.00 0.00 C ATOM 817 C GLY A 58 -0.639 -3.548 -0.097 1.00 0.00 C ATOM 818 O GLY A 58 -1.259 -4.169 0.767 1.00 0.00 O ATOM 0 H GLY A 58 -0.363 -1.843 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.923 -1.845 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.019 -2.958 -1.623 1.00 0.00 H new ATOM 822 N LEU A 59 0.645 -3.762 -0.361 1.00 0.00 N ATOM 823 CA LEU A 59 1.419 -4.762 0.367 1.00 0.00 C ATOM 824 C LEU A 59 1.840 -4.235 1.735 1.00 0.00 C ATOM 825 O LEU A 59 2.370 -3.130 1.850 1.00 0.00 O ATOM 826 CB LEU A 59 2.655 -5.165 -0.439 1.00 0.00 C ATOM 827 CG LEU A 59 3.368 -6.438 0.017 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.452 -7.643 -0.123 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.650 -6.645 -0.776 1.00 0.00 C ATOM 0 H LEU A 59 1.172 -3.257 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 59 0.787 -5.638 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.359 -5.291 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.369 -4.342 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 59 3.629 -6.327 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.977 -8.540 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.563 -7.497 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.158 -7.757 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.144 -7.556 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.412 -6.734 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.314 -5.794 -0.623 1.00 0.00 H new ATOM 841 N PHE A 60 1.601 -5.034 2.770 1.00 0.00 N ATOM 842 CA PHE A 60 1.957 -4.649 4.131 1.00 0.00 C ATOM 843 C PHE A 60 2.055 -5.874 5.035 1.00 0.00 C ATOM 844 O PHE A 60 1.289 -6.827 4.894 1.00 0.00 O ATOM 845 CB PHE A 60 0.925 -3.668 4.692 1.00 0.00 C ATOM 846 CG PHE A 60 -0.396 -4.307 5.013 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.582 -4.983 6.208 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.453 -4.231 4.120 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.796 -5.572 6.505 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.670 -4.818 4.411 1.00 0.00 C ATOM 851 CZ PHE A 60 -2.842 -5.488 5.607 1.00 0.00 C ATOM 0 H PHE A 60 1.163 -5.952 2.692 1.00 0.00 H new ATOM 0 HA PHE A 60 2.932 -4.163 4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.326 -3.208 5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.766 -2.867 3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.231 -5.050 6.915 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.324 -3.706 3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.927 -6.098 7.439 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.485 -4.753 3.705 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.793 -5.945 5.839 1.00 0.00 H new ATOM 861 N LYS A 61 3.004 -5.841 5.964 1.00 0.00 N ATOM 862 CA LYS A 61 3.204 -6.947 6.893 1.00 0.00 C ATOM 863 C LYS A 61 2.234 -6.855 8.067 1.00 0.00 C ATOM 864 O LYS A 61 1.877 -5.761 8.503 1.00 0.00 O ATOM 865 CB LYS A 61 4.645 -6.953 7.408 1.00 0.00 C ATOM 866 CG LYS A 61 4.923 -8.047 8.424 1.00 0.00 C ATOM 867 CD LYS A 61 6.415 -8.244 8.638 1.00 0.00 C ATOM 868 CE LYS A 61 7.038 -9.049 7.509 1.00 0.00 C ATOM 869 NZ LYS A 61 8.500 -9.250 7.712 1.00 0.00 N ATOM 0 H LYS A 61 3.647 -5.060 6.094 1.00 0.00 H new ATOM 0 HA LYS A 61 3.011 -7.877 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.323 -7.072 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.865 -5.985 7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.449 -7.793 9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.477 -8.982 8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.905 -7.273 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.583 -8.754 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.544 -10.018 7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.870 -8.536 6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.887 -9.803 6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.975 -8.326 7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.660 -9.762 8.603 1.00 0.00 H new ATOM 883 N ASN A 62 1.813 -8.009 8.573 1.00 0.00 N ATOM 884 CA ASN A 62 0.885 -8.057 9.698 1.00 0.00 C ATOM 885 C ASN A 62 1.613 -8.418 10.989 1.00 0.00 C ATOM 886 O ASN A 62 2.799 -8.750 10.973 1.00 0.00 O ATOM 887 CB ASN A 62 -0.226 -9.072 9.425 1.00 0.00 C ATOM 888 CG ASN A 62 -1.509 -8.736 10.160 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.527 -7.874 11.039 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.591 -9.419 9.804 1.00 0.00 N ATOM 0 H ASN A 62 2.099 -8.923 8.223 1.00 0.00 H new ATOM 0 HA ASN A 62 0.444 -7.067 9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.424 -9.111 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.111 -10.065 9.723 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.483 -9.238 10.265 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.530 -10.125 9.070 1.00 0.00 H new ATOM 897 N SER A 63 0.895 -8.350 12.105 1.00 0.00 N ATOM 898 CA SER A 63 1.473 -8.667 13.406 1.00 0.00 C ATOM 899 C SER A 63 2.196 -10.010 13.368 1.00 0.00 C ATOM 900 O SER A 63 3.383 -10.098 13.682 1.00 0.00 O ATOM 901 CB SER A 63 0.383 -8.692 14.480 1.00 0.00 C ATOM 902 OG SER A 63 -0.440 -7.541 14.398 1.00 0.00 O ATOM 0 H SER A 63 -0.088 -8.078 12.135 1.00 0.00 H new ATOM 0 HA SER A 63 2.198 -7.891 13.652 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.227 -9.588 14.363 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.842 -8.745 15.467 1.00 0.00 H new ATOM 0 HG SER A 63 -1.129 -7.582 15.093 1.00 0.00 H new ATOM 908 N ASP A 64 1.471 -11.053 12.980 1.00 0.00 N ATOM 909 CA ASP A 64 2.041 -12.393 12.898 1.00 0.00 C ATOM 910 C ASP A 64 3.410 -12.361 12.224 1.00 0.00 C ATOM 911 O ASP A 64 4.329 -13.071 12.629 1.00 0.00 O ATOM 912 CB ASP A 64 1.103 -13.325 12.130 1.00 0.00 C ATOM 913 CG ASP A 64 -0.066 -13.794 12.974 1.00 0.00 C ATOM 914 OD1 ASP A 64 0.146 -14.655 13.853 1.00 0.00 O ATOM 915 OD2 ASP A 64 -1.192 -13.301 12.755 1.00 0.00 O ATOM 0 H ASP A 64 0.487 -10.997 12.717 1.00 0.00 H new ATOM 0 HA ASP A 64 2.164 -12.771 13.913 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.726 -12.809 11.247 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.664 -14.191 11.778 1.00 0.00 H new ATOM 920 N GLY A 65 3.537 -11.532 11.193 1.00 0.00 N ATOM 921 CA GLY A 65 4.795 -11.423 10.478 1.00 0.00 C ATOM 922 C GLY A 65 4.661 -11.776 9.010 1.00 0.00 C ATOM 923 O GLY A 65 5.659 -11.892 8.300 1.00 0.00 O ATOM 0 H GLY A 65 2.791 -10.933 10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.175 -10.405 10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.530 -12.081 10.941 1.00 0.00 H new ATOM 927 N GLN A 66 3.424 -11.948 8.555 1.00 0.00 N ATOM 928 CA GLN A 66 3.164 -12.292 7.162 1.00 0.00 C ATOM 929 C GLN A 66 2.692 -11.072 6.379 1.00 0.00 C ATOM 930 O GLN A 66 2.099 -10.151 6.942 1.00 0.00 O ATOM 931 CB GLN A 66 2.117 -13.404 7.077 1.00 0.00 C ATOM 932 CG GLN A 66 2.334 -14.523 8.083 1.00 0.00 C ATOM 933 CD GLN A 66 1.609 -15.799 7.702 1.00 0.00 C ATOM 934 OE1 GLN A 66 0.398 -15.918 7.889 1.00 0.00 O ATOM 935 NE2 GLN A 66 2.349 -16.762 7.165 1.00 0.00 N ATOM 0 H GLN A 66 2.587 -11.855 9.130 1.00 0.00 H new ATOM 0 HA GLN A 66 4.096 -12.645 6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.128 -12.973 7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.126 -13.824 6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.401 -14.728 8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.993 -14.195 9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.350 -16.620 7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.917 -17.644 6.889 1.00 0.00 H new ATOM 944 N PHE A 67 2.960 -11.070 5.078 1.00 0.00 N ATOM 945 CA PHE A 67 2.563 -9.962 4.217 1.00 0.00 C ATOM 946 C PHE A 67 1.124 -10.132 3.739 1.00 0.00 C ATOM 947 O PHE A 67 0.642 -11.252 3.573 1.00 0.00 O ATOM 948 CB PHE A 67 3.504 -9.861 3.014 1.00 0.00 C ATOM 949 CG PHE A 67 4.865 -9.327 3.360 1.00 0.00 C ATOM 950 CD1 PHE A 67 5.056 -7.974 3.586 1.00 0.00 C ATOM 951 CD2 PHE A 67 5.952 -10.180 3.460 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.307 -7.481 3.903 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.206 -9.692 3.778 1.00 0.00 C ATOM 954 CZ PHE A 67 7.383 -8.341 4.001 1.00 0.00 C ATOM 0 H PHE A 67 3.451 -11.823 4.596 1.00 0.00 H new ATOM 0 HA PHE A 67 2.627 -9.042 4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.613 -10.848 2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.050 -9.216 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.218 -7.297 3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.818 -11.238 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.443 -6.423 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.046 -10.367 3.852 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.361 -7.958 4.252 1.00 0.00 H new ATOM 964 N TYR A 68 0.444 -9.012 3.520 1.00 0.00 N ATOM 965 CA TYR A 68 -0.941 -9.036 3.064 1.00 0.00 C ATOM 966 C TYR A 68 -1.198 -7.930 2.045 1.00 0.00 C ATOM 967 O TYR A 68 -0.296 -7.165 1.702 1.00 0.00 O ATOM 968 CB TYR A 68 -1.893 -8.882 4.251 1.00 0.00 C ATOM 969 CG TYR A 68 -1.850 -10.046 5.216 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.807 -10.184 6.123 1.00 0.00 C ATOM 971 CD2 TYR A 68 -2.855 -11.006 5.222 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.763 -11.246 7.005 1.00 0.00 C ATOM 973 CE2 TYR A 68 -2.820 -12.070 6.102 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.772 -12.186 6.991 1.00 0.00 C ATOM 975 OH TYR A 68 -1.733 -13.245 7.870 1.00 0.00 O ATOM 0 H TYR A 68 0.829 -8.077 3.651 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.122 -9.997 2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.646 -7.966 4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.911 -8.768 3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.017 -9.448 6.139 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.677 -10.919 4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.057 -11.340 7.702 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.609 -12.807 6.094 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.518 -13.815 7.731 1.00 0.00 H new ATOM 985 N TRP A 69 -2.434 -7.852 1.567 1.00 0.00 N ATOM 986 CA TRP A 69 -2.812 -6.839 0.587 1.00 0.00 C ATOM 987 C TRP A 69 -3.913 -5.937 1.133 1.00 0.00 C ATOM 988 O TRP A 69 -4.772 -6.383 1.894 1.00 0.00 O ATOM 989 CB TRP A 69 -3.276 -7.503 -0.710 1.00 0.00 C ATOM 990 CG TRP A 69 -2.149 -8.044 -1.537 1.00 0.00 C ATOM 991 CD1 TRP A 69 -1.852 -9.359 -1.758 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.168 -7.284 -2.250 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.746 -9.461 -2.567 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.307 -8.203 -2.883 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.933 -5.916 -2.418 1.00 0.00 C ATOM 996 CZ2 TRP A 69 0.768 -7.796 -3.668 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.135 -5.514 -3.197 1.00 0.00 C ATOM 998 CH2 TRP A 69 0.975 -6.451 -3.814 1.00 0.00 C ATOM 0 H TRP A 69 -3.192 -8.477 1.841 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.935 -6.225 0.379 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -3.962 -8.315 -0.469 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.835 -6.778 -1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.405 -10.195 -1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.321 -10.333 -2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.575 -5.186 -1.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.416 -8.516 -4.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.326 -4.460 -3.333 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.802 -6.105 -4.416 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.882 -4.669 0.741 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.879 -3.704 1.191 1.00 0.00 C ATOM 1011 C ASP A 70 -6.149 -3.804 0.351 1.00 0.00 C ATOM 1012 O ASP A 70 -6.118 -3.612 -0.864 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.316 -2.284 1.118 1.00 0.00 C ATOM 1014 CG ASP A 70 -4.990 -1.343 2.097 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -6.211 -1.490 2.317 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -4.297 -0.460 2.644 1.00 0.00 O ATOM 0 H ASP A 70 -3.177 -4.284 0.112 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.130 -3.934 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.246 -2.310 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.439 -1.899 0.106 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.264 -4.108 1.008 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.544 -4.236 0.322 1.00 0.00 C ATOM 1023 C ARG A 71 -9.566 -3.256 0.891 1.00 0.00 C ATOM 1024 O ARG A 71 -10.772 -3.484 0.810 1.00 0.00 O ATOM 1025 CB ARG A 71 -9.071 -5.667 0.443 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.184 -6.702 -0.230 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.322 -6.653 -1.743 1.00 0.00 C ATOM 1028 NE ARG A 71 -7.775 -7.848 -2.381 1.00 0.00 N ATOM 1029 CZ ARG A 71 -7.741 -8.028 -3.697 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -8.220 -7.097 -4.510 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -7.226 -9.142 -4.202 1.00 0.00 N ATOM 0 H ARG A 71 -7.307 -4.270 2.014 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.388 -4.001 -0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.173 -5.920 1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.068 -5.716 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.144 -6.528 0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.447 -7.697 0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.374 -6.550 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.809 -5.771 -2.126 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.399 -8.584 -1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.616 -6.239 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.192 -7.238 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.856 -9.861 -3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.200 -9.280 -5.212 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.074 -2.164 1.468 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.957 -1.166 2.042 1.00 0.00 C ATOM 1047 C GLY A 72 -9.845 -1.092 3.552 1.00 0.00 C ATOM 1048 O GLY A 72 -8.913 -1.643 4.138 1.00 0.00 O ATOM 0 H GLY A 72 -8.079 -1.953 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.724 -0.191 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.987 -1.396 1.768 1.00 0.00 H new ATOM 1052 N GLN A 73 -10.794 -0.408 4.182 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.795 -0.263 5.633 1.00 0.00 C ATOM 1054 C GLN A 73 -11.694 -1.309 6.284 1.00 0.00 C ATOM 1055 O GLN A 73 -12.908 -1.306 6.090 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.259 1.141 6.025 1.00 0.00 C ATOM 1057 CG GLN A 73 -10.653 1.641 7.327 1.00 0.00 C ATOM 1058 CD GLN A 73 -11.208 2.986 7.750 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -12.301 3.377 7.340 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -10.456 3.703 8.577 1.00 0.00 N ATOM 0 H GLN A 73 -11.572 0.054 3.711 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.776 -0.414 5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.004 1.836 5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.345 1.144 6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.840 0.911 8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.572 1.718 7.214 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.556 3.340 8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.778 4.616 8.897 1.00 0.00 H new ATOM 1069 N GLY A 74 -11.087 -2.204 7.058 1.00 0.00 N ATOM 1070 CA GLY A 74 -11.847 -3.244 7.726 1.00 0.00 C ATOM 1071 C GLY A 74 -11.951 -4.509 6.897 1.00 0.00 C ATOM 1072 O GLY A 74 -11.930 -5.616 7.437 1.00 0.00 O ATOM 0 H GLY A 74 -10.083 -2.227 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.377 -3.477 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.848 -2.874 7.946 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.064 -4.346 5.584 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.172 -5.485 4.680 1.00 0.00 C ATOM 1078 C ILE A 75 -11.064 -6.500 4.939 1.00 0.00 C ATOM 1079 O ILE A 75 -9.925 -6.131 5.222 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.112 -5.041 3.206 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.201 -4.007 2.917 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.257 -6.243 2.285 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.598 -4.587 2.910 1.00 0.00 C ATOM 0 H ILE A 75 -12.083 -3.437 5.122 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.139 -5.950 4.872 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.142 -4.580 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.148 -3.217 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -13.004 -3.544 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.213 -5.913 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.448 -6.948 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.214 -6.730 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.319 -3.797 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.668 -5.357 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.815 -5.025 3.884 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.407 -7.780 4.840 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.440 -8.849 5.063 1.00 0.00 C ATOM 1097 C ASN A 76 -9.325 -8.799 4.023 1.00 0.00 C ATOM 1098 O ASN A 76 -9.559 -8.904 2.819 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.136 -10.211 5.016 1.00 0.00 C ATOM 1100 CG ASN A 76 -12.296 -10.302 5.988 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -12.721 -9.298 6.560 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -12.814 -11.510 6.180 1.00 0.00 N ATOM 0 H ASN A 76 -12.346 -8.102 4.607 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.999 -8.707 6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.498 -10.396 4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.412 -10.994 5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.596 -11.633 6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.430 -12.314 5.684 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.081 -8.636 4.498 1.00 0.00 N ATOM 1110 CA PRO A 77 -6.903 -8.570 3.627 1.00 0.00 C ATOM 1111 C PRO A 77 -6.585 -9.913 2.979 1.00 0.00 C ATOM 1112 O PRO A 77 -7.122 -10.947 3.377 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.780 -8.156 4.581 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.229 -8.625 5.921 1.00 0.00 C ATOM 1115 CD PRO A 77 -7.728 -8.504 5.922 1.00 0.00 C ATOM 0 HA PRO A 77 -7.049 -7.881 2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.832 -8.614 4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.629 -7.077 4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.921 -9.656 6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.788 -8.021 6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.194 -9.283 6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.054 -7.547 6.330 1.00 0.00 H new ATOM 1123 N ASP A 78 -5.709 -9.890 1.981 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.318 -11.107 1.279 1.00 0.00 C ATOM 1125 C ASP A 78 -3.871 -11.473 1.591 1.00 0.00 C ATOM 1126 O ASP A 78 -2.978 -10.627 1.531 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.499 -10.931 -0.230 1.00 0.00 C ATOM 1128 CG ASP A 78 -6.957 -10.811 -0.629 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -7.717 -10.137 0.098 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -7.337 -11.389 -1.668 1.00 0.00 O ATOM 0 H ASP A 78 -5.256 -9.042 1.640 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.961 -11.918 1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.962 -10.040 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.052 -11.780 -0.748 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.645 -12.739 1.925 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.306 -13.218 2.249 1.00 0.00 C ATOM 1137 C LEU A 79 -1.462 -13.369 0.987 1.00 0.00 C ATOM 1138 O LEU A 79 -1.827 -14.103 0.067 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.385 -14.556 2.986 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.109 -15.008 3.696 1.00 0.00 C ATOM 1141 CD1 LEU A 79 0.070 -14.993 2.736 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.828 -14.123 4.902 1.00 0.00 C ATOM 0 H LEU A 79 -4.372 -13.452 1.978 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.831 -12.481 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.185 -14.495 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.670 -15.326 2.269 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.253 -16.030 4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.969 -15.318 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.130 -15.668 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.217 -13.982 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.084 -14.459 5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.704 -13.091 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.662 -14.184 5.601 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.332 -12.672 0.950 1.00 0.00 N ATOM 1155 CA LEU A 80 0.566 -12.730 -0.198 1.00 0.00 C ATOM 1156 C LEU A 80 0.853 -14.176 -0.592 1.00 0.00 C ATOM 1157 O LEU A 80 1.715 -14.829 -0.006 1.00 0.00 O ATOM 1158 CB LEU A 80 1.876 -12.005 0.116 1.00 0.00 C ATOM 1159 CG LEU A 80 2.951 -12.060 -0.970 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.684 -11.011 -2.038 1.00 0.00 C ATOM 1161 CD2 LEU A 80 4.332 -11.866 -0.363 1.00 0.00 C ATOM 0 H LEU A 80 -0.016 -12.060 1.702 1.00 0.00 H new ATOM 0 HA LEU A 80 0.076 -12.234 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.649 -10.959 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.291 -12.427 1.031 1.00 0.00 H new ATOM 0 HG LEU A 80 2.917 -13.043 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.459 -11.065 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.711 -11.195 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.690 -10.020 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.085 -11.908 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.379 -10.896 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.524 -12.655 0.365 1.00 0.00 H new ATOM 1173 N ASN A 81 0.126 -14.667 -1.590 1.00 0.00 N ATOM 1174 CA ASN A 81 0.304 -16.035 -2.064 1.00 0.00 C ATOM 1175 C ASN A 81 0.542 -16.062 -3.571 1.00 0.00 C ATOM 1176 O ASN A 81 -0.008 -16.905 -4.279 1.00 0.00 O ATOM 1177 CB ASN A 81 -0.921 -16.882 -1.714 1.00 0.00 C ATOM 1178 CG ASN A 81 -0.577 -18.347 -1.527 1.00 0.00 C ATOM 1179 OD1 ASN A 81 0.536 -18.689 -1.127 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -1.534 -19.221 -1.818 1.00 0.00 N ATOM 0 H ASN A 81 -0.592 -14.139 -2.086 1.00 0.00 H new ATOM 0 HA ASN A 81 1.180 -16.454 -1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.375 -16.499 -0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.665 -16.784 -2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.361 -20.221 -1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.442 -18.892 -2.147 1.00 0.00 H new ATOM 1187 N GLN A 82 1.364 -15.135 -4.052 1.00 0.00 N ATOM 1188 CA GLN A 82 1.673 -15.054 -5.474 1.00 0.00 C ATOM 1189 C GLN A 82 3.003 -15.734 -5.782 1.00 0.00 C ATOM 1190 O GLN A 82 3.961 -15.655 -5.014 1.00 0.00 O ATOM 1191 CB GLN A 82 1.719 -13.592 -5.924 1.00 0.00 C ATOM 1192 CG GLN A 82 2.754 -12.760 -5.186 1.00 0.00 C ATOM 1193 CD GLN A 82 2.518 -11.270 -5.333 1.00 0.00 C ATOM 1194 OE1 GLN A 82 1.816 -10.658 -4.527 1.00 0.00 O ATOM 1195 NE2 GLN A 82 3.105 -10.676 -6.366 1.00 0.00 N ATOM 0 H GLN A 82 1.827 -14.430 -3.478 1.00 0.00 H new ATOM 0 HA GLN A 82 0.886 -15.572 -6.021 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.931 -13.556 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.735 -13.145 -5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.739 -13.024 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.747 -13.005 -5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.678 -11.221 -7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.982 -9.675 -6.516 1.00 0.00 H new ATOM 1204 N PRO A 83 3.064 -16.421 -6.932 1.00 0.00 N ATOM 1205 CA PRO A 83 4.271 -17.130 -7.368 1.00 0.00 C ATOM 1206 C PRO A 83 5.392 -16.175 -7.765 1.00 0.00 C ATOM 1207 O PRO A 83 6.572 -16.484 -7.596 1.00 0.00 O ATOM 1208 CB PRO A 83 3.794 -17.929 -8.583 1.00 0.00 C ATOM 1209 CG PRO A 83 2.622 -17.168 -9.101 1.00 0.00 C ATOM 1210 CD PRO A 83 1.959 -16.559 -7.896 1.00 0.00 C ATOM 0 HA PRO A 83 4.691 -17.747 -6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.578 -18.010 -9.336 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.514 -18.945 -8.304 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.937 -16.397 -9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.935 -17.825 -9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.507 -15.595 -8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.165 -17.197 -7.509 1.00 0.00 H new ATOM 1218 N ILE A 84 5.016 -15.015 -8.292 1.00 0.00 N ATOM 1219 CA ILE A 84 5.990 -14.015 -8.711 1.00 0.00 C ATOM 1220 C ILE A 84 6.085 -12.881 -7.696 1.00 0.00 C ATOM 1221 O ILE A 84 5.070 -12.351 -7.243 1.00 0.00 O ATOM 1222 CB ILE A 84 5.636 -13.426 -10.089 1.00 0.00 C ATOM 1223 CG1 ILE A 84 5.532 -14.541 -11.133 1.00 0.00 C ATOM 1224 CG2 ILE A 84 6.674 -12.396 -10.508 1.00 0.00 C ATOM 1225 CD1 ILE A 84 5.080 -14.056 -12.492 1.00 0.00 C ATOM 0 H ILE A 84 4.044 -14.744 -8.439 1.00 0.00 H new ATOM 0 HA ILE A 84 6.953 -14.522 -8.778 1.00 0.00 H new ATOM 0 HB ILE A 84 4.669 -12.929 -10.017 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.503 -15.025 -11.234 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.834 -15.298 -10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 84 6.409 -11.989 -11.484 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.703 -11.590 -9.775 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.654 -12.870 -10.566 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.029 -14.899 -13.181 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.095 -13.598 -12.406 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.790 -13.321 -12.871 1.00 0.00 H new ATOM 1237 N THR A 85 7.312 -12.512 -7.343 1.00 0.00 N ATOM 1238 CA THR A 85 7.541 -11.440 -6.382 1.00 0.00 C ATOM 1239 C THR A 85 8.626 -10.486 -6.870 1.00 0.00 C ATOM 1240 O THR A 85 9.482 -10.862 -7.671 1.00 0.00 O ATOM 1241 CB THR A 85 7.946 -11.998 -5.004 1.00 0.00 C ATOM 1242 OG1 THR A 85 9.042 -12.908 -5.147 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.774 -12.707 -4.342 1.00 0.00 C ATOM 0 H THR A 85 8.163 -12.940 -7.708 1.00 0.00 H new ATOM 0 HA THR A 85 6.601 -10.897 -6.284 1.00 0.00 H new ATOM 0 HB THR A 85 8.248 -11.163 -4.372 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.295 -13.257 -4.267 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.084 -13.093 -3.371 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.952 -12.004 -4.208 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.446 -13.533 -4.972 1.00 0.00 H new ATOM 1251 N TYR A 86 8.584 -9.251 -6.382 1.00 0.00 N ATOM 1252 CA TYR A 86 9.563 -8.243 -6.770 1.00 0.00 C ATOM 1253 C TYR A 86 10.465 -7.879 -5.595 1.00 0.00 C ATOM 1254 O TYR A 86 11.178 -6.875 -5.633 1.00 0.00 O ATOM 1255 CB TYR A 86 8.856 -6.991 -7.292 1.00 0.00 C ATOM 1256 CG TYR A 86 7.771 -7.285 -8.303 1.00 0.00 C ATOM 1257 CD1 TYR A 86 8.072 -7.891 -9.517 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.446 -6.956 -8.046 1.00 0.00 C ATOM 1259 CE1 TYR A 86 7.084 -8.161 -10.444 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.452 -7.223 -8.967 1.00 0.00 C ATOM 1261 CZ TYR A 86 5.776 -7.826 -10.165 1.00 0.00 C ATOM 1262 OH TYR A 86 4.789 -8.093 -11.085 1.00 0.00 O ATOM 0 H TYR A 86 7.883 -8.924 -5.717 1.00 0.00 H new ATOM 0 HA TYR A 86 10.182 -8.661 -7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.420 -6.453 -6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.594 -6.330 -7.746 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.095 -8.155 -9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.189 -6.483 -7.110 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.335 -8.632 -11.383 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.427 -6.961 -8.751 1.00 0.00 H new ATOM 0 HH TYR A 86 3.924 -7.795 -10.733 1.00 0.00 H new ATOM 1272 N TRP A 87 10.429 -8.701 -4.553 1.00 0.00 N ATOM 1273 CA TRP A 87 11.243 -8.467 -3.366 1.00 0.00 C ATOM 1274 C TRP A 87 12.664 -8.070 -3.750 1.00 0.00 C ATOM 1275 O TRP A 87 13.359 -8.812 -4.444 1.00 0.00 O ATOM 1276 CB TRP A 87 11.270 -9.718 -2.486 1.00 0.00 C ATOM 1277 CG TRP A 87 9.956 -10.009 -1.827 1.00 0.00 C ATOM 1278 CD1 TRP A 87 9.226 -11.159 -1.927 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.215 -9.135 -0.969 1.00 0.00 C ATOM 1280 NE1 TRP A 87 8.076 -11.053 -1.183 1.00 0.00 N ATOM 1281 CE2 TRP A 87 8.046 -9.821 -0.585 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.426 -7.841 -0.486 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 7.094 -9.254 0.258 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.480 -7.280 0.350 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.326 -7.985 0.716 1.00 0.00 C ATOM 0 H TRP A 87 9.845 -9.536 -4.506 1.00 0.00 H new ATOM 0 HA TRP A 87 10.795 -7.646 -2.805 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.561 -10.575 -3.094 1.00 0.00 H new ATOM 0 HB3 TRP A 87 12.034 -9.597 -1.718 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.511 -12.025 -2.506 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.361 -11.774 -1.091 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.313 -7.289 -0.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.204 -9.796 0.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.633 -6.280 0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.606 -7.519 1.372 1.00 0.00 H new ATOM 1296 N ALA A 88 13.090 -6.896 -3.295 1.00 0.00 N ATOM 1297 CA ALA A 88 14.429 -6.403 -3.590 1.00 0.00 C ATOM 1298 C ALA A 88 15.488 -7.443 -3.237 1.00 0.00 C ATOM 1299 O ALA A 88 15.164 -8.566 -2.854 1.00 0.00 O ATOM 1300 CB ALA A 88 14.691 -5.105 -2.840 1.00 0.00 C ATOM 0 H ALA A 88 12.527 -6.269 -2.721 1.00 0.00 H new ATOM 0 HA ALA A 88 14.490 -6.210 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.695 -4.748 -3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.961 -4.355 -3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.605 -5.281 -1.768 1.00 0.00 H new ATOM 1306 N ASN A 89 16.754 -7.060 -3.370 1.00 0.00 N ATOM 1307 CA ASN A 89 17.860 -7.961 -3.066 1.00 0.00 C ATOM 1308 C ASN A 89 17.917 -8.268 -1.573 1.00 0.00 C ATOM 1309 O ASN A 89 18.435 -7.478 -0.785 1.00 0.00 O ATOM 1310 CB ASN A 89 19.185 -7.347 -3.523 1.00 0.00 C ATOM 1311 CG ASN A 89 19.505 -6.055 -2.794 1.00 0.00 C ATOM 1312 OD1 ASN A 89 20.182 -6.061 -1.766 1.00 0.00 O ATOM 1313 ND2 ASN A 89 19.019 -4.940 -3.326 1.00 0.00 N ATOM 0 H ASN A 89 17.039 -6.133 -3.686 1.00 0.00 H new ATOM 0 HA ASN A 89 17.695 -8.894 -3.604 1.00 0.00 H new ATOM 0 HB2 ASN A 89 19.990 -8.063 -3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.143 -7.155 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.202 -4.041 -2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.463 -4.983 -4.180 1.00 0.00 H new ATOM 1320 N GLY A 90 17.380 -9.423 -1.191 1.00 0.00 N ATOM 1321 CA GLY A 90 17.380 -9.814 0.207 1.00 0.00 C ATOM 1322 C GLY A 90 16.009 -9.698 0.842 1.00 0.00 C ATOM 1323 O GLY A 90 15.740 -10.317 1.870 1.00 0.00 O ATOM 0 H GLY A 90 16.945 -10.094 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.731 -10.842 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.085 -9.189 0.756 1.00 0.00 H new ATOM 1327 N GLU A 91 15.140 -8.899 0.229 1.00 0.00 N ATOM 1328 CA GLU A 91 13.790 -8.702 0.743 1.00 0.00 C ATOM 1329 C GLU A 91 12.955 -9.968 0.579 1.00 0.00 C ATOM 1330 O GLU A 91 13.201 -10.795 -0.299 1.00 0.00 O ATOM 1331 CB GLU A 91 13.112 -7.533 0.024 1.00 0.00 C ATOM 1332 CG GLU A 91 13.699 -6.177 0.380 1.00 0.00 C ATOM 1333 CD GLU A 91 13.525 -5.832 1.846 1.00 0.00 C ATOM 1334 OE1 GLU A 91 12.479 -6.198 2.421 1.00 0.00 O ATOM 1335 OE2 GLU A 91 14.436 -5.198 2.419 1.00 0.00 O ATOM 0 H GLU A 91 15.347 -8.378 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 91 13.864 -8.472 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.193 -7.683 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.049 -7.535 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.760 -6.169 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.223 -5.408 -0.229 1.00 0.00 H new ATOM 1342 N PRO A 92 11.942 -10.124 1.445 1.00 0.00 N ATOM 1343 CA PRO A 92 11.640 -9.147 2.494 1.00 0.00 C ATOM 1344 C PRO A 92 12.701 -9.125 3.589 1.00 0.00 C ATOM 1345 O PRO A 92 13.343 -10.138 3.865 1.00 0.00 O ATOM 1346 CB PRO A 92 10.302 -9.633 3.057 1.00 0.00 C ATOM 1347 CG PRO A 92 10.275 -11.093 2.763 1.00 0.00 C ATOM 1348 CD PRO A 92 11.015 -11.268 1.465 1.00 0.00 C ATOM 0 HA PRO A 92 11.611 -8.129 2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.231 -9.444 4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.464 -9.119 2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.750 -11.661 3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.250 -11.455 2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.548 -12.218 1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.338 -11.252 0.611 1.00 0.00 H new ATOM 1356 N SER A 93 12.881 -7.963 4.209 1.00 0.00 N ATOM 1357 CA SER A 93 13.868 -7.809 5.272 1.00 0.00 C ATOM 1358 C SER A 93 13.358 -8.411 6.578 1.00 0.00 C ATOM 1359 O SER A 93 12.173 -8.710 6.715 1.00 0.00 O ATOM 1360 CB SER A 93 14.202 -6.330 5.475 1.00 0.00 C ATOM 1361 OG SER A 93 15.528 -6.167 5.948 1.00 0.00 O ATOM 0 H SER A 93 12.357 -7.115 3.994 1.00 0.00 H new ATOM 0 HA SER A 93 14.772 -8.341 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.080 -5.794 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.502 -5.890 6.186 1.00 0.00 H new ATOM 0 HG SER A 93 15.509 -5.912 6.894 1.00 0.00 H new ATOM 1367 N ASN A 94 14.264 -8.585 7.535 1.00 0.00 N ATOM 1368 CA ASN A 94 13.908 -9.152 8.830 1.00 0.00 C ATOM 1369 C ASN A 94 14.071 -8.118 9.940 1.00 0.00 C ATOM 1370 O ASN A 94 14.561 -8.429 11.026 1.00 0.00 O ATOM 1371 CB ASN A 94 14.773 -10.378 9.129 1.00 0.00 C ATOM 1372 CG ASN A 94 14.353 -11.085 10.403 1.00 0.00 C ATOM 1373 OD1 ASN A 94 14.898 -10.828 11.477 1.00 0.00 O ATOM 1374 ND2 ASN A 94 13.380 -11.981 10.290 1.00 0.00 N ATOM 0 H ASN A 94 15.250 -8.341 7.438 1.00 0.00 H new ATOM 0 HA ASN A 94 12.862 -9.455 8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.712 -11.075 8.293 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.816 -10.072 9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.056 -12.488 11.113 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.957 -12.162 9.380 1.00 0.00 H new ATOM 1381 N ASP A 95 13.657 -6.887 9.660 1.00 0.00 N ATOM 1382 CA ASP A 95 13.755 -5.806 10.634 1.00 0.00 C ATOM 1383 C ASP A 95 12.394 -5.507 11.253 1.00 0.00 C ATOM 1384 O ASP A 95 11.375 -5.432 10.565 1.00 0.00 O ATOM 1385 CB ASP A 95 14.319 -4.546 9.975 1.00 0.00 C ATOM 1386 CG ASP A 95 15.773 -4.702 9.577 1.00 0.00 C ATOM 1387 OD1 ASP A 95 16.047 -5.438 8.606 1.00 0.00 O ATOM 1388 OD2 ASP A 95 16.637 -4.087 10.236 1.00 0.00 O ATOM 0 H ASP A 95 13.250 -6.613 8.766 1.00 0.00 H new ATOM 0 HA ASP A 95 14.432 -6.125 11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.727 -4.306 9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.222 -3.706 10.662 1.00 0.00 H new ATOM 1393 N PRO A 96 12.373 -5.332 12.582 1.00 0.00 N ATOM 1394 CA PRO A 96 11.142 -5.038 13.323 1.00 0.00 C ATOM 1395 C PRO A 96 10.610 -3.639 13.032 1.00 0.00 C ATOM 1396 O PRO A 96 9.401 -3.407 13.047 1.00 0.00 O ATOM 1397 CB PRO A 96 11.574 -5.153 14.787 1.00 0.00 C ATOM 1398 CG PRO A 96 13.037 -4.873 14.774 1.00 0.00 C ATOM 1399 CD PRO A 96 13.549 -5.407 13.465 1.00 0.00 C ATOM 0 HA PRO A 96 10.330 -5.712 13.050 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.040 -4.439 15.414 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.365 -6.146 15.185 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.231 -3.804 14.862 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.535 -5.357 15.614 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.377 -4.809 13.083 1.00 0.00 H new ATOM 0 HD3 PRO A 96 13.913 -6.430 13.563 1.00 0.00 H new ATOM 1407 N THR A 97 11.521 -2.708 12.767 1.00 0.00 N ATOM 1408 CA THR A 97 11.144 -1.331 12.473 1.00 0.00 C ATOM 1409 C THR A 97 10.492 -1.221 11.100 1.00 0.00 C ATOM 1410 O THR A 97 9.795 -0.248 10.810 1.00 0.00 O ATOM 1411 CB THR A 97 12.363 -0.391 12.527 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.168 -0.565 11.356 1.00 0.00 O ATOM 1413 CG2 THR A 97 13.200 -0.661 13.769 1.00 0.00 C ATOM 0 H THR A 97 12.526 -2.883 12.750 1.00 0.00 H new ATOM 0 HA THR A 97 10.428 -1.029 13.237 1.00 0.00 H new ATOM 0 HB THR A 97 12.001 0.636 12.569 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.940 0.037 11.397 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.055 0.015 13.785 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.592 -0.499 14.659 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.553 -1.692 13.753 1.00 0.00 H new ATOM 1421 N ARG A 98 10.722 -2.224 10.259 1.00 0.00 N ATOM 1422 CA ARG A 98 10.157 -2.238 8.915 1.00 0.00 C ATOM 1423 C ARG A 98 9.137 -3.364 8.766 1.00 0.00 C ATOM 1424 O ARG A 98 9.467 -4.538 8.931 1.00 0.00 O ATOM 1425 CB ARG A 98 11.266 -2.400 7.874 1.00 0.00 C ATOM 1426 CG ARG A 98 12.559 -1.694 8.247 1.00 0.00 C ATOM 1427 CD ARG A 98 13.724 -2.182 7.400 1.00 0.00 C ATOM 1428 NE ARG A 98 13.858 -1.420 6.162 1.00 0.00 N ATOM 1429 CZ ARG A 98 14.939 -1.454 5.391 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.975 -2.209 5.729 1.00 0.00 N ATOM 1431 NH2 ARG A 98 14.986 -0.732 4.279 1.00 0.00 N ATOM 0 H ARG A 98 11.295 -3.037 10.484 1.00 0.00 H new ATOM 0 HA ARG A 98 9.650 -1.287 8.751 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.469 -3.462 7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.914 -2.014 6.917 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.438 -0.619 8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.777 -1.865 9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.647 -2.105 7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.583 -3.237 7.163 1.00 0.00 H new ATOM 0 HE ARG A 98 13.079 -0.829 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.943 -2.766 6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.804 -2.233 5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.191 -0.150 4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.817 -0.759 3.688 1.00 0.00 H new ATOM 1445 N GLN A 99 7.898 -2.996 8.455 1.00 0.00 N ATOM 1446 CA GLN A 99 6.831 -3.974 8.286 1.00 0.00 C ATOM 1447 C GLN A 99 6.073 -3.734 6.984 1.00 0.00 C ATOM 1448 O GLN A 99 5.668 -4.678 6.306 1.00 0.00 O ATOM 1449 CB GLN A 99 5.865 -3.917 9.470 1.00 0.00 C ATOM 1450 CG GLN A 99 6.556 -3.717 10.810 1.00 0.00 C ATOM 1451 CD GLN A 99 5.797 -4.351 11.958 1.00 0.00 C ATOM 1452 OE1 GLN A 99 5.962 -5.537 12.247 1.00 0.00 O ATOM 1453 NE2 GLN A 99 4.959 -3.563 12.622 1.00 0.00 N ATOM 0 H GLN A 99 7.609 -2.028 8.315 1.00 0.00 H new ATOM 0 HA GLN A 99 7.284 -4.964 8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.156 -3.104 9.311 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.288 -4.841 9.502 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.559 -4.141 10.764 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.670 -2.650 11.000 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.853 -2.586 12.349 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.422 -3.935 13.405 1.00 0.00 H new ATOM 1462 N CYS A 100 5.884 -2.464 6.642 1.00 0.00 N ATOM 1463 CA CYS A 100 5.174 -2.098 5.422 1.00 0.00 C ATOM 1464 C CYS A 100 6.114 -2.113 4.220 1.00 0.00 C ATOM 1465 O CYS A 100 7.335 -2.074 4.372 1.00 0.00 O ATOM 1466 CB CYS A 100 4.541 -0.713 5.571 1.00 0.00 C ATOM 1467 SG CYS A 100 3.275 -0.611 6.877 1.00 0.00 S ATOM 0 H CYS A 100 6.213 -1.671 7.193 1.00 0.00 H new ATOM 0 HA CYS A 100 4.387 -2.834 5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.326 0.013 5.783 1.00 0.00 H new ATOM 0 HB3 CYS A 100 4.091 -0.427 4.620 1.00 0.00 H new ATOM 1472 N VAL A 101 5.536 -2.171 3.024 1.00 0.00 N ATOM 1473 CA VAL A 101 6.321 -2.190 1.796 1.00 0.00 C ATOM 1474 C VAL A 101 5.940 -1.030 0.883 1.00 0.00 C ATOM 1475 O VAL A 101 4.770 -0.658 0.790 1.00 0.00 O ATOM 1476 CB VAL A 101 6.134 -3.514 1.031 1.00 0.00 C ATOM 1477 CG1 VAL A 101 7.055 -3.567 -0.178 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.380 -4.700 1.952 1.00 0.00 C ATOM 0 H VAL A 101 4.527 -2.206 2.880 1.00 0.00 H new ATOM 0 HA VAL A 101 7.367 -2.092 2.087 1.00 0.00 H new ATOM 0 HB VAL A 101 5.105 -3.566 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.909 -4.509 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.826 -2.737 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 101 8.092 -3.492 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.244 -5.627 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.398 -4.655 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.675 -4.668 2.782 1.00 0.00 H new ATOM 1488 N TYR A 102 6.935 -0.463 0.210 1.00 0.00 N ATOM 1489 CA TYR A 102 6.706 0.656 -0.695 1.00 0.00 C ATOM 1490 C TYR A 102 7.410 0.431 -2.030 1.00 0.00 C ATOM 1491 O TYR A 102 8.525 -0.088 -2.077 1.00 0.00 O ATOM 1492 CB TYR A 102 7.194 1.960 -0.062 1.00 0.00 C ATOM 1493 CG TYR A 102 8.684 2.180 -0.202 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.230 2.629 -1.398 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.545 1.938 0.862 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.591 2.831 -1.530 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.906 2.138 0.739 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.424 2.584 -0.459 1.00 0.00 C ATOM 1499 OH TYR A 102 12.780 2.784 -0.586 1.00 0.00 O ATOM 0 H TYR A 102 7.909 -0.761 0.274 1.00 0.00 H new ATOM 0 HA TYR A 102 5.634 0.728 -0.878 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.667 2.796 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.933 1.961 0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.580 2.823 -2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 102 9.143 1.588 1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.000 3.180 -2.467 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.561 1.946 1.576 1.00 0.00 H new ATOM 0 HH TYR A 102 13.224 2.565 0.260 1.00 0.00 H new ATOM 1509 N PHE A 103 6.749 0.825 -3.114 1.00 0.00 N ATOM 1510 CA PHE A 103 7.310 0.667 -4.451 1.00 0.00 C ATOM 1511 C PHE A 103 8.479 1.623 -4.667 1.00 0.00 C ATOM 1512 O PHE A 103 8.306 2.842 -4.673 1.00 0.00 O ATOM 1513 CB PHE A 103 6.234 0.912 -5.510 1.00 0.00 C ATOM 1514 CG PHE A 103 6.641 0.477 -6.889 1.00 0.00 C ATOM 1515 CD1 PHE A 103 7.659 1.131 -7.564 1.00 0.00 C ATOM 1516 CD2 PHE A 103 6.005 -0.585 -7.511 1.00 0.00 C ATOM 1517 CE1 PHE A 103 8.036 0.733 -8.833 1.00 0.00 C ATOM 1518 CE2 PHE A 103 6.378 -0.988 -8.780 1.00 0.00 C ATOM 1519 CZ PHE A 103 7.394 -0.327 -9.442 1.00 0.00 C ATOM 0 H PHE A 103 5.825 1.256 -3.093 1.00 0.00 H new ATOM 0 HA PHE A 103 7.677 -0.355 -4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.326 0.382 -5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.990 1.974 -5.530 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.164 1.962 -7.093 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.209 -1.104 -6.999 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.832 1.251 -9.348 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.875 -1.819 -9.253 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.686 -0.639 -10.434 1.00 0.00 H new ATOM 1529 N ASP A 104 9.670 1.062 -4.843 1.00 0.00 N ATOM 1530 CA ASP A 104 10.869 1.863 -5.060 1.00 0.00 C ATOM 1531 C ASP A 104 10.987 2.280 -6.523 1.00 0.00 C ATOM 1532 O ASP A 104 11.644 1.610 -7.319 1.00 0.00 O ATOM 1533 CB ASP A 104 12.114 1.082 -4.638 1.00 0.00 C ATOM 1534 CG ASP A 104 13.289 1.988 -4.327 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.102 3.223 -4.324 1.00 0.00 O ATOM 1536 OD2 ASP A 104 14.396 1.463 -4.087 1.00 0.00 O ATOM 0 H ASP A 104 9.831 0.055 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 104 10.790 2.762 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.881 0.480 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.393 0.391 -5.434 1.00 0.00 H new ATOM 1541 N GLY A 105 10.344 3.391 -6.870 1.00 0.00 N ATOM 1542 CA GLY A 105 10.389 3.877 -8.237 1.00 0.00 C ATOM 1543 C GLY A 105 11.805 4.101 -8.727 1.00 0.00 C ATOM 1544 O GLY A 105 12.106 3.877 -9.900 1.00 0.00 O ATOM 0 H GLY A 105 9.793 3.963 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.891 3.161 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.832 4.812 -8.305 1.00 0.00 H new ATOM 1602 N LYS A 110 12.822 -3.196 -11.853 1.00 0.00 N ATOM 1603 CA LYS A 110 11.396 -3.243 -11.550 1.00 0.00 C ATOM 1604 C LYS A 110 11.058 -4.470 -10.709 1.00 0.00 C ATOM 1605 O LYS A 110 9.992 -4.541 -10.099 1.00 0.00 O ATOM 1606 CB LYS A 110 10.580 -3.258 -12.844 1.00 0.00 C ATOM 1607 CG LYS A 110 11.044 -4.303 -13.844 1.00 0.00 C ATOM 1608 CD LYS A 110 9.926 -4.703 -14.792 1.00 0.00 C ATOM 1609 CE LYS A 110 9.055 -5.798 -14.196 1.00 0.00 C ATOM 1610 NZ LYS A 110 9.590 -7.156 -14.491 1.00 0.00 N ATOM 0 HA LYS A 110 11.142 -2.351 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.533 -3.439 -12.601 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.634 -2.274 -13.309 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.885 -3.912 -14.416 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.403 -5.184 -13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.312 -3.832 -15.020 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.352 -5.048 -15.734 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.988 -5.661 -13.117 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.043 -5.713 -14.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.968 -7.874 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.631 -7.297 -15.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.546 -7.247 -14.091 1.00 0.00 H new ATOM 1624 N SER A 111 11.974 -5.433 -10.681 1.00 0.00 N ATOM 1625 CA SER A 111 11.772 -6.658 -9.916 1.00 0.00 C ATOM 1626 C SER A 111 12.385 -6.537 -8.525 1.00 0.00 C ATOM 1627 O SER A 111 12.311 -7.464 -7.717 1.00 0.00 O ATOM 1628 CB SER A 111 12.383 -7.851 -10.654 1.00 0.00 C ATOM 1629 OG SER A 111 11.697 -9.050 -10.339 1.00 0.00 O ATOM 0 H SER A 111 12.863 -5.389 -11.179 1.00 0.00 H new ATOM 0 HA SER A 111 10.699 -6.817 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.343 -7.677 -11.729 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.435 -7.949 -10.386 1.00 0.00 H new ATOM 0 HG SER A 111 12.105 -9.797 -10.824 1.00 0.00 H new ATOM 1635 N LYS A 112 12.992 -5.387 -8.250 1.00 0.00 N ATOM 1636 CA LYS A 112 13.619 -5.142 -6.957 1.00 0.00 C ATOM 1637 C LYS A 112 13.060 -3.877 -6.313 1.00 0.00 C ATOM 1638 O LYS A 112 13.730 -3.231 -5.507 1.00 0.00 O ATOM 1639 CB LYS A 112 15.136 -5.018 -7.116 1.00 0.00 C ATOM 1640 CG LYS A 112 15.772 -6.206 -7.818 1.00 0.00 C ATOM 1641 CD LYS A 112 15.570 -7.491 -7.032 1.00 0.00 C ATOM 1642 CE LYS A 112 16.361 -8.642 -7.634 1.00 0.00 C ATOM 1643 NZ LYS A 112 15.602 -9.331 -8.715 1.00 0.00 N ATOM 0 H LYS A 112 13.063 -4.610 -8.906 1.00 0.00 H new ATOM 0 HA LYS A 112 13.397 -5.989 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.361 -4.111 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.588 -4.904 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.341 -6.315 -8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 112 16.838 -6.023 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.878 -7.338 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.510 -7.746 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.302 -8.266 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.611 -9.359 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.175 -10.109 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.715 -9.712 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.385 -8.653 -9.473 1.00 0.00 H new ATOM 1657 N VAL A 113 11.828 -3.529 -6.673 1.00 0.00 N ATOM 1658 CA VAL A 113 11.179 -2.343 -6.128 1.00 0.00 C ATOM 1659 C VAL A 113 10.585 -2.625 -4.753 1.00 0.00 C ATOM 1660 O VAL A 113 10.536 -1.743 -3.894 1.00 0.00 O ATOM 1661 CB VAL A 113 10.064 -1.835 -7.062 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.653 -1.334 -8.372 1.00 0.00 C ATOM 1663 CG2 VAL A 113 9.039 -2.930 -7.313 1.00 0.00 C ATOM 0 H VAL A 113 11.260 -4.052 -7.340 1.00 0.00 H new ATOM 0 HA VAL A 113 11.947 -1.574 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 113 9.558 -1.001 -6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.851 -0.979 -9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.345 -0.517 -8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.185 -2.147 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.259 -2.553 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.528 -3.786 -7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.595 -3.237 -6.366 1.00 0.00 H new ATOM 1673 N TRP A 114 10.135 -3.857 -4.550 1.00 0.00 N ATOM 1674 CA TRP A 114 9.544 -4.256 -3.277 1.00 0.00 C ATOM 1675 C TRP A 114 10.556 -4.129 -2.144 1.00 0.00 C ATOM 1676 O TRP A 114 11.536 -4.873 -2.086 1.00 0.00 O ATOM 1677 CB TRP A 114 9.028 -5.693 -3.358 1.00 0.00 C ATOM 1678 CG TRP A 114 7.674 -5.804 -3.990 1.00 0.00 C ATOM 1679 CD1 TRP A 114 7.033 -4.849 -4.727 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.794 -6.932 -3.940 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.807 -5.316 -5.137 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.637 -6.592 -4.668 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.872 -8.198 -3.352 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.569 -7.471 -4.821 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.810 -9.069 -3.505 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.672 -8.703 -4.235 1.00 0.00 C ATOM 0 H TRP A 114 10.168 -4.598 -5.250 1.00 0.00 H new ATOM 0 HA TRP A 114 8.707 -3.589 -3.069 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.737 -6.294 -3.927 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.988 -6.114 -2.353 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.431 -3.871 -4.954 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.133 -4.797 -5.699 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.746 -8.490 -2.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.690 -7.191 -5.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.858 -10.049 -3.054 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.860 -9.407 -4.337 1.00 0.00 H new ATOM 1697 N THR A 115 10.314 -3.181 -1.243 1.00 0.00 N ATOM 1698 CA THR A 115 11.205 -2.957 -0.112 1.00 0.00 C ATOM 1699 C THR A 115 10.416 -2.674 1.162 1.00 0.00 C ATOM 1700 O THR A 115 9.442 -1.920 1.147 1.00 0.00 O ATOM 1701 CB THR A 115 12.166 -1.783 -0.378 1.00 0.00 C ATOM 1702 OG1 THR A 115 13.064 -2.117 -1.443 1.00 0.00 O ATOM 1703 CG2 THR A 115 12.960 -1.439 0.873 1.00 0.00 C ATOM 0 H THR A 115 9.508 -2.556 -1.275 1.00 0.00 H new ATOM 0 HA THR A 115 11.786 -3.870 0.019 1.00 0.00 H new ATOM 0 HB THR A 115 11.573 -0.914 -0.662 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.671 -1.365 -1.607 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.632 -0.607 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.275 -1.157 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.543 -2.306 1.184 1.00 0.00 H new ATOM 1711 N THR A 116 10.842 -3.283 2.264 1.00 0.00 N ATOM 1712 CA THR A 116 10.175 -3.097 3.546 1.00 0.00 C ATOM 1713 C THR A 116 10.742 -1.894 4.292 1.00 0.00 C ATOM 1714 O THR A 116 11.952 -1.668 4.295 1.00 0.00 O ATOM 1715 CB THR A 116 10.309 -4.347 4.436 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.684 -4.733 4.534 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.492 -5.501 3.874 1.00 0.00 C ATOM 0 H THR A 116 11.646 -3.910 2.294 1.00 0.00 H new ATOM 0 HA THR A 116 9.121 -2.924 3.331 1.00 0.00 H new ATOM 0 HB THR A 116 9.929 -4.103 5.428 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.936 -5.250 3.741 1.00 0.00 H new ATOM 0 HG21 THR A 116 9.602 -6.373 4.519 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.441 -5.214 3.827 1.00 0.00 H new ATOM 0 HG23 THR A 116 9.846 -5.744 2.872 1.00 0.00 H new ATOM 1725 N ASP A 117 9.861 -1.125 4.923 1.00 0.00 N ATOM 1726 CA ASP A 117 10.275 0.054 5.673 1.00 0.00 C ATOM 1727 C ASP A 117 9.243 0.409 6.739 1.00 0.00 C ATOM 1728 O ASP A 117 8.115 -0.086 6.717 1.00 0.00 O ATOM 1729 CB ASP A 117 10.480 1.240 4.729 1.00 0.00 C ATOM 1730 CG ASP A 117 11.881 1.286 4.152 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.148 0.544 3.183 1.00 0.00 O ATOM 1732 OD2 ASP A 117 12.710 2.063 4.669 1.00 0.00 O ATOM 0 H ASP A 117 8.856 -1.298 4.930 1.00 0.00 H new ATOM 0 HA ASP A 117 11.219 -0.173 6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.757 1.182 3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.281 2.167 5.267 1.00 0.00 H new ATOM 1737 N THR A 118 9.636 1.270 7.673 1.00 0.00 N ATOM 1738 CA THR A 118 8.747 1.689 8.749 1.00 0.00 C ATOM 1739 C THR A 118 7.444 2.254 8.197 1.00 0.00 C ATOM 1740 O THR A 118 7.426 2.878 7.135 1.00 0.00 O ATOM 1741 CB THR A 118 9.413 2.749 9.647 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.547 3.080 10.739 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.737 4.005 8.852 1.00 0.00 C ATOM 0 H THR A 118 10.565 1.691 7.705 1.00 0.00 H new ATOM 0 HA THR A 118 8.532 0.802 9.345 1.00 0.00 H new ATOM 0 HB THR A 118 10.343 2.333 10.034 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.978 3.753 11.306 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.206 4.739 9.507 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.419 3.755 8.039 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.818 4.422 8.440 1.00 0.00 H new ATOM 1751 N CYS A 119 6.353 2.033 8.923 1.00 0.00 N ATOM 1752 CA CYS A 119 5.044 2.520 8.506 1.00 0.00 C ATOM 1753 C CYS A 119 4.740 3.874 9.140 1.00 0.00 C ATOM 1754 O CYS A 119 3.579 4.238 9.324 1.00 0.00 O ATOM 1755 CB CYS A 119 3.957 1.512 8.884 1.00 0.00 C ATOM 1756 SG CYS A 119 4.404 -0.223 8.550 1.00 0.00 S ATOM 0 H CYS A 119 6.350 1.519 9.804 1.00 0.00 H new ATOM 0 HA CYS A 119 5.057 2.640 7.423 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.729 1.620 9.944 1.00 0.00 H new ATOM 0 HB3 CYS A 119 3.046 1.753 8.336 1.00 0.00 H new ATOM 1761 N ALA A 120 5.792 4.615 9.473 1.00 0.00 N ATOM 1762 CA ALA A 120 5.638 5.929 10.084 1.00 0.00 C ATOM 1763 C ALA A 120 6.197 7.024 9.182 1.00 0.00 C ATOM 1764 O ALA A 120 5.892 8.204 9.357 1.00 0.00 O ATOM 1765 CB ALA A 120 6.322 5.962 11.443 1.00 0.00 C ATOM 0 H ALA A 120 6.760 4.327 9.330 1.00 0.00 H new ATOM 0 HA ALA A 120 4.573 6.116 10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.199 6.949 11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 120 5.874 5.212 12.094 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.384 5.748 11.321 1.00 0.00 H new ATOM 1771 N THR A 121 7.017 6.625 8.214 1.00 0.00 N ATOM 1772 CA THR A 121 7.620 7.572 7.285 1.00 0.00 C ATOM 1773 C THR A 121 6.579 8.144 6.330 1.00 0.00 C ATOM 1774 O THR A 121 5.883 7.414 5.624 1.00 0.00 O ATOM 1775 CB THR A 121 8.747 6.916 6.466 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.872 6.645 7.309 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.174 7.814 5.315 1.00 0.00 C ATOM 0 H THR A 121 7.278 5.652 8.054 1.00 0.00 H new ATOM 0 HA THR A 121 8.040 8.379 7.885 1.00 0.00 H new ATOM 0 HB THR A 121 8.368 5.980 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.583 6.226 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 121 9.971 7.329 4.751 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.323 7.994 4.658 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.535 8.764 5.709 1.00 0.00 H new ATOM 1785 N PRO A 122 6.469 9.480 6.304 1.00 0.00 N ATOM 1786 CA PRO A 122 5.515 10.179 5.437 1.00 0.00 C ATOM 1787 C PRO A 122 5.894 10.084 3.963 1.00 0.00 C ATOM 1788 O PRO A 122 6.861 10.704 3.520 1.00 0.00 O ATOM 1789 CB PRO A 122 5.597 11.630 5.917 1.00 0.00 C ATOM 1790 CG PRO A 122 6.955 11.755 6.517 1.00 0.00 C ATOM 1791 CD PRO A 122 7.267 10.412 7.118 1.00 0.00 C ATOM 0 HA PRO A 122 4.515 9.750 5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.464 12.328 5.091 1.00 0.00 H new ATOM 0 HB3 PRO A 122 4.819 11.849 6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 122 7.692 12.025 5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 122 6.976 12.537 7.276 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.331 10.184 7.062 1.00 0.00 H new ATOM 0 HD3 PRO A 122 6.987 10.368 8.170 1.00 0.00 H new ATOM 1799 N ARG A 123 5.126 9.304 3.209 1.00 0.00 N ATOM 1800 CA ARG A 123 5.382 9.128 1.784 1.00 0.00 C ATOM 1801 C ARG A 123 4.076 9.097 0.997 1.00 0.00 C ATOM 1802 O ARG A 123 2.998 8.865 1.544 1.00 0.00 O ATOM 1803 CB ARG A 123 6.167 7.837 1.542 1.00 0.00 C ATOM 1804 CG ARG A 123 7.675 8.028 1.562 1.00 0.00 C ATOM 1805 CD ARG A 123 8.399 6.801 1.031 1.00 0.00 C ATOM 1806 NE ARG A 123 9.779 6.733 1.502 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.736 6.056 0.878 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.464 5.391 -0.236 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.969 6.042 1.369 1.00 0.00 N ATOM 0 H ARG A 123 4.322 8.784 3.561 1.00 0.00 H new ATOM 0 HA ARG A 123 5.974 9.976 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.892 7.106 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.875 7.419 0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.941 8.897 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.003 8.233 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.865 5.903 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.388 6.817 -0.059 1.00 0.00 H new ATOM 0 HE ARG A 123 10.022 7.233 2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.518 5.398 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.201 4.872 -0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.182 6.552 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.703 5.522 0.889 1.00 0.00 H new ATOM 1823 N PRO A 124 4.172 9.338 -0.319 1.00 0.00 N ATOM 1824 CA PRO A 124 3.008 9.343 -1.210 1.00 0.00 C ATOM 1825 C PRO A 124 2.423 7.949 -1.409 1.00 0.00 C ATOM 1826 O PRO A 124 3.069 6.946 -1.106 1.00 0.00 O ATOM 1827 CB PRO A 124 3.573 9.879 -2.528 1.00 0.00 C ATOM 1828 CG PRO A 124 5.022 9.539 -2.485 1.00 0.00 C ATOM 1829 CD PRO A 124 5.425 9.623 -1.039 1.00 0.00 C ATOM 0 HA PRO A 124 2.189 9.939 -0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.083 9.417 -3.385 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.421 10.955 -2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.200 8.540 -2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.604 10.232 -3.093 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.202 8.898 -0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.818 10.608 -0.788 1.00 0.00 H new ATOM 1837 N PHE A 125 1.197 7.894 -1.919 1.00 0.00 N ATOM 1838 CA PHE A 125 0.525 6.622 -2.158 1.00 0.00 C ATOM 1839 C PHE A 125 -0.419 6.721 -3.352 1.00 0.00 C ATOM 1840 O PHE A 125 -0.544 7.778 -3.972 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.252 6.191 -0.913 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.065 7.296 -0.301 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.447 8.330 0.383 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.446 7.300 -0.410 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.193 9.348 0.948 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.197 8.315 0.152 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.569 9.341 0.831 1.00 0.00 C ATOM 0 H PHE A 125 0.649 8.715 -2.175 1.00 0.00 H new ATOM 0 HA PHE A 125 1.286 5.874 -2.381 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.914 5.366 -1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.450 5.812 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.629 8.341 0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.942 6.500 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.700 10.148 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.273 8.306 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.153 10.136 1.270 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.081 5.614 -3.669 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.014 5.576 -4.788 1.00 0.00 C ATOM 1859 C ILE A 126 -3.316 4.886 -4.395 1.00 0.00 C ATOM 1860 O ILE A 126 -3.307 3.775 -3.863 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.407 4.849 -6.003 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.195 5.618 -6.532 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.452 4.681 -7.096 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.335 5.083 -7.843 1.00 0.00 C ATOM 0 H ILE A 126 -0.989 4.731 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.222 6.611 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.077 3.859 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.467 6.666 -6.660 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.600 5.584 -5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.008 4.166 -7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.288 4.096 -6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.810 5.661 -7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.194 5.676 -8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.639 4.044 -7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.445 5.142 -8.602 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.436 5.550 -4.662 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.747 5.002 -4.338 1.00 0.00 C ATOM 1878 C CYS A 127 -6.378 4.344 -5.562 1.00 0.00 C ATOM 1879 O CYS A 127 -6.106 4.733 -6.697 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.666 6.103 -3.806 1.00 0.00 C ATOM 1881 SG CYS A 127 -5.929 7.109 -2.479 1.00 0.00 S ATOM 0 H CYS A 127 -4.461 6.470 -5.103 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.616 4.244 -3.566 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -6.946 6.758 -4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.584 5.647 -3.435 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.223 3.347 -5.321 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.893 2.635 -6.403 1.00 0.00 C ATOM 1888 C GLN A 128 -9.168 1.962 -5.905 1.00 0.00 C ATOM 1889 O GLN A 128 -9.162 1.276 -4.882 1.00 0.00 O ATOM 1890 CB GLN A 128 -6.956 1.591 -7.012 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.651 0.630 -7.963 1.00 0.00 C ATOM 1892 CD GLN A 128 -6.880 -0.661 -8.155 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -5.901 -0.708 -8.901 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -7.318 -1.718 -7.481 1.00 0.00 N ATOM 0 H GLN A 128 -7.460 3.014 -4.386 1.00 0.00 H new ATOM 0 HA GLN A 128 -8.163 3.362 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.155 2.102 -7.546 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.490 1.020 -6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.645 0.401 -7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.786 1.115 -8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.133 -1.634 -6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -6.839 -2.614 -7.570 1.00 0.00 H new