USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1000 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 7 LYS NZ :NH3+ -139:sc= 0.0976 (180deg=0) USER MOD Set 1.2: A 51 TYR OH : rot 19:sc= -2.35! USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= -0.555 (180deg=-1.02) USER MOD Single : A 15 SER OG : rot -57:sc= 0.335 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -118:sc= -0.666 (180deg=-2.07!) USER MOD Single : A 31 ASN :FLIP amide:sc= -6.89! C(o=-9.6!,f=-6.9!) USER MOD Single : A 32 ASN : amide:sc= 0.00997 K(o=0.01,f=-1.5!) USER MOD Single : A 44 ASN : amide:sc= -1.25 X(o=-1.2,f=-0.97) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0871) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.8!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.431 F(o=-1.2,f=-0.43) USER MOD Single : A 63 MET CE :methyl -166:sc= 0 (180deg=-0.182) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -62:sc= -1.27! USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.129 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -100:sc= -0.217 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 160:sc= -0.461 (180deg=-1.66!) USER MOD Single : A 94 ASN :FLIP amide:sc= -6.91! C(o=-7.5!,f=-6.9!) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -1.95 USER MOD Single : A 109 LYS NZ :NH3+ -179:sc= -4! (180deg=-4.09!) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 115 THR OG1 : rot 54:sc= 0.423 USER MOD Single : A 119 LYS NZ :NH3+ -160:sc= -0.582 (180deg=-1.53!) USER MOD Single : A 121 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.61) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 164:sc= -0.263 (180deg=-0.756) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.356 -0.453 8.686 1.00 0.00 N ATOM 2 CA ALA A 2 -13.174 0.400 8.996 1.00 0.00 C ATOM 3 C ALA A 2 -13.508 1.863 8.683 1.00 0.00 C ATOM 4 O ALA A 2 -14.591 2.178 8.231 1.00 0.00 O ATOM 5 CB ALA A 2 -11.974 -0.064 8.159 1.00 0.00 C ATOM 0 HA ALA A 2 -12.921 0.312 10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.109 0.560 8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.744 -1.103 8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.215 0.021 7.099 1.00 0.00 H new ATOM 11 N ASP A 3 -12.596 2.762 8.936 1.00 0.00 N ATOM 12 CA ASP A 3 -12.872 4.205 8.668 1.00 0.00 C ATOM 13 C ASP A 3 -13.342 4.394 7.222 1.00 0.00 C ATOM 14 O ASP A 3 -12.890 3.729 6.318 1.00 0.00 O ATOM 15 CB ASP A 3 -11.596 5.016 8.898 1.00 0.00 C ATOM 16 CG ASP A 3 -11.777 5.916 10.121 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.507 6.888 10.015 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.184 5.617 11.145 1.00 0.00 O ATOM 0 H ASP A 3 -11.671 2.561 9.317 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.656 4.549 9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.749 4.347 9.048 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.373 5.620 8.019 1.00 0.00 H new ATOM 23 N LYS A 4 -14.247 5.306 7.000 1.00 0.00 N ATOM 24 CA LYS A 4 -14.742 5.548 5.615 1.00 0.00 C ATOM 25 C LYS A 4 -13.875 6.614 4.946 1.00 0.00 C ATOM 26 O LYS A 4 -14.269 7.225 3.973 1.00 0.00 O ATOM 27 CB LYS A 4 -16.194 6.042 5.665 1.00 0.00 C ATOM 28 CG LYS A 4 -17.149 4.890 6.029 1.00 0.00 C ATOM 29 CD LYS A 4 -18.361 4.902 5.089 1.00 0.00 C ATOM 30 CE LYS A 4 -19.214 3.657 5.340 1.00 0.00 C ATOM 31 NZ LYS A 4 -18.558 2.470 4.725 1.00 0.00 N ATOM 0 H LYS A 4 -14.666 5.896 7.719 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.691 4.619 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.286 6.843 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.474 6.462 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.628 3.936 5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.478 4.992 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.954 5.801 5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.029 4.925 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.341 3.501 6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.209 3.795 4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.941 1.602 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.742 2.463 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.532 2.515 4.892 1.00 0.00 H new ATOM 45 N GLU A 5 -12.702 6.850 5.461 1.00 0.00 N ATOM 46 CA GLU A 5 -11.823 7.885 4.851 1.00 0.00 C ATOM 47 C GLU A 5 -10.377 7.637 5.273 1.00 0.00 C ATOM 48 O GLU A 5 -9.689 8.539 5.709 1.00 0.00 O ATOM 49 CB GLU A 5 -12.262 9.274 5.327 1.00 0.00 C ATOM 50 CG GLU A 5 -11.467 10.356 4.589 1.00 0.00 C ATOM 51 CD GLU A 5 -12.382 11.071 3.594 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.165 10.394 2.953 1.00 0.00 O ATOM 53 OE2 GLU A 5 -12.283 12.283 3.493 1.00 0.00 O ATOM 0 H GLU A 5 -12.315 6.373 6.275 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.900 7.832 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.329 9.409 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.106 9.365 6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.058 11.072 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.622 9.908 4.066 1.00 0.00 H new ATOM 60 N LEU A 6 -9.902 6.430 5.150 1.00 0.00 N ATOM 61 CA LEU A 6 -8.502 6.164 5.547 1.00 0.00 C ATOM 62 C LEU A 6 -7.579 6.682 4.442 1.00 0.00 C ATOM 63 O LEU A 6 -7.583 6.191 3.334 1.00 0.00 O ATOM 64 CB LEU A 6 -8.305 4.660 5.763 1.00 0.00 C ATOM 65 CG LEU A 6 -6.870 4.359 6.230 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.537 5.167 7.484 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.750 2.879 6.568 1.00 0.00 C ATOM 0 H LEU A 6 -10.420 5.626 4.795 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.266 6.673 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.017 4.298 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.510 4.125 4.836 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.181 4.627 5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.519 4.943 7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.623 6.231 7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.232 4.904 8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.734 2.663 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.452 2.629 7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.978 2.284 5.683 1.00 0.00 H new ATOM 79 N LYS A 7 -6.816 7.696 4.732 1.00 0.00 N ATOM 80 CA LYS A 7 -5.919 8.285 3.698 1.00 0.00 C ATOM 81 C LYS A 7 -5.024 7.210 3.073 1.00 0.00 C ATOM 82 O LYS A 7 -4.070 6.744 3.676 1.00 0.00 O ATOM 83 CB LYS A 7 -5.049 9.369 4.334 1.00 0.00 C ATOM 84 CG LYS A 7 -5.560 10.748 3.899 1.00 0.00 C ATOM 85 CD LYS A 7 -4.752 11.849 4.596 1.00 0.00 C ATOM 86 CE LYS A 7 -3.505 12.172 3.769 1.00 0.00 C ATOM 87 NZ LYS A 7 -3.817 13.265 2.803 1.00 0.00 N ATOM 0 H LYS A 7 -6.774 8.146 5.646 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.537 8.719 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.078 9.284 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.010 9.241 4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.475 10.852 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.617 10.848 4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.364 12.743 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.464 11.525 5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.689 12.474 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.171 11.283 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.372 13.056 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.847 13.336 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.449 14.167 3.168 1.00 0.00 H new ATOM 101 N PHE A 8 -5.316 6.833 1.852 1.00 0.00 N ATOM 102 CA PHE A 8 -4.485 5.818 1.159 1.00 0.00 C ATOM 103 C PHE A 8 -3.551 6.528 0.195 1.00 0.00 C ATOM 104 O PHE A 8 -3.861 7.585 -0.310 1.00 0.00 O ATOM 105 CB PHE A 8 -5.365 4.889 0.316 1.00 0.00 C ATOM 106 CG PHE A 8 -6.121 3.920 1.188 1.00 0.00 C ATOM 107 CD1 PHE A 8 -5.518 2.725 1.586 1.00 0.00 C ATOM 108 CD2 PHE A 8 -7.425 4.213 1.587 1.00 0.00 C ATOM 109 CE1 PHE A 8 -6.221 1.820 2.391 1.00 0.00 C ATOM 110 CE2 PHE A 8 -8.129 3.311 2.389 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.527 2.113 2.792 1.00 0.00 C ATOM 0 H PHE A 8 -6.101 7.191 1.308 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.941 5.247 1.911 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.068 5.481 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.745 4.339 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.509 2.499 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.890 5.137 1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.754 0.897 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.139 3.538 2.698 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.071 1.416 3.412 1.00 0.00 H new ATOM 121 N LEU A 9 -2.431 5.941 -0.097 1.00 0.00 N ATOM 122 CA LEU A 9 -1.504 6.566 -1.080 1.00 0.00 C ATOM 123 C LEU A 9 -0.975 5.454 -1.987 1.00 0.00 C ATOM 124 O LEU A 9 -0.352 4.517 -1.535 1.00 0.00 O ATOM 125 CB LEU A 9 -0.367 7.284 -0.343 1.00 0.00 C ATOM 126 CG LEU A 9 0.935 7.313 -1.174 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.686 7.668 -2.645 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.870 8.367 -0.588 1.00 0.00 C ATOM 0 H LEU A 9 -2.114 5.056 0.300 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.016 7.315 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.672 8.305 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.179 6.785 0.608 1.00 0.00 H new ATOM 0 HG LEU A 9 1.369 6.314 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.634 7.674 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.021 6.928 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.226 8.654 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.793 8.397 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.387 9.343 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.099 8.115 0.447 1.00 0.00 H new ATOM 140 N VAL A 10 -1.265 5.536 -3.262 1.00 0.00 N ATOM 141 CA VAL A 10 -0.829 4.467 -4.207 1.00 0.00 C ATOM 142 C VAL A 10 0.338 4.948 -5.076 1.00 0.00 C ATOM 143 O VAL A 10 0.220 5.895 -5.828 1.00 0.00 O ATOM 144 CB VAL A 10 -2.017 4.105 -5.098 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.922 3.108 -4.365 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.817 5.370 -5.414 1.00 0.00 C ATOM 0 H VAL A 10 -1.787 6.301 -3.689 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.492 3.598 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.653 3.657 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.769 2.850 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.356 2.206 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.285 3.558 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.665 5.115 -6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.179 5.813 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.178 6.085 -5.932 1.00 0.00 H new ATOM 156 N VAL A 11 1.463 4.284 -4.987 1.00 0.00 N ATOM 157 CA VAL A 11 2.641 4.673 -5.801 1.00 0.00 C ATOM 158 C VAL A 11 2.799 3.696 -6.969 1.00 0.00 C ATOM 159 O VAL A 11 3.107 2.536 -6.780 1.00 0.00 O ATOM 160 CB VAL A 11 3.899 4.632 -4.933 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.108 5.083 -5.756 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.721 5.571 -3.741 1.00 0.00 C ATOM 0 H VAL A 11 1.611 3.481 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 11 2.497 5.683 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 11 4.061 3.614 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.003 5.053 -5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.236 4.417 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.947 6.101 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.616 5.544 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.558 6.587 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.861 5.252 -3.152 1.00 0.00 H new ATOM 172 N ASP A 12 2.595 4.152 -8.174 1.00 0.00 N ATOM 173 CA ASP A 12 2.737 3.243 -9.346 1.00 0.00 C ATOM 174 C ASP A 12 2.995 4.070 -10.608 1.00 0.00 C ATOM 175 O ASP A 12 2.406 5.114 -10.809 1.00 0.00 O ATOM 176 CB ASP A 12 1.453 2.432 -9.523 1.00 0.00 C ATOM 177 CG ASP A 12 1.800 1.034 -10.036 1.00 0.00 C ATOM 178 OD1 ASP A 12 2.551 0.944 -10.993 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.309 0.075 -9.463 1.00 0.00 O ATOM 0 H ASP A 12 2.337 5.113 -8.398 1.00 0.00 H new ATOM 0 HA ASP A 12 3.574 2.566 -9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.921 2.361 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.787 2.934 -10.225 1.00 0.00 H new ATOM 184 N ASP A 13 3.872 3.612 -11.461 1.00 0.00 N ATOM 185 CA ASP A 13 4.165 4.373 -12.709 1.00 0.00 C ATOM 186 C ASP A 13 3.074 4.093 -13.744 1.00 0.00 C ATOM 187 O ASP A 13 2.977 4.763 -14.753 1.00 0.00 O ATOM 188 CB ASP A 13 5.522 3.939 -13.268 1.00 0.00 C ATOM 189 CG ASP A 13 6.261 3.096 -12.226 1.00 0.00 C ATOM 190 OD1 ASP A 13 6.338 3.531 -11.089 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.738 2.032 -12.584 1.00 0.00 O ATOM 0 H ASP A 13 4.397 2.745 -11.347 1.00 0.00 H new ATOM 0 HA ASP A 13 4.190 5.440 -12.486 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.382 3.364 -14.183 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.116 4.815 -13.529 1.00 0.00 H new ATOM 196 N PHE A 14 2.252 3.108 -13.503 1.00 0.00 N ATOM 197 CA PHE A 14 1.169 2.787 -14.474 1.00 0.00 C ATOM 198 C PHE A 14 0.203 3.970 -14.570 1.00 0.00 C ATOM 199 O PHE A 14 -0.101 4.616 -13.587 1.00 0.00 O ATOM 200 CB PHE A 14 0.409 1.547 -14.000 1.00 0.00 C ATOM 201 CG PHE A 14 0.665 0.403 -14.952 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.068 0.400 -16.219 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.498 -0.654 -14.568 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.305 -0.661 -17.102 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.734 -1.715 -15.451 1.00 0.00 C ATOM 206 CZ PHE A 14 1.138 -1.718 -16.717 1.00 0.00 C ATOM 0 H PHE A 14 2.284 2.512 -12.676 1.00 0.00 H new ATOM 0 HA PHE A 14 1.606 2.593 -15.454 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.728 1.275 -12.994 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.659 1.760 -13.949 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.575 1.216 -16.515 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.959 -0.651 -13.591 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.155 -0.664 -18.079 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.376 -2.531 -15.155 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.321 -2.536 -17.398 1.00 0.00 H new ATOM 216 N SER A 15 -0.281 4.259 -15.747 1.00 0.00 N ATOM 217 CA SER A 15 -1.226 5.400 -15.903 1.00 0.00 C ATOM 218 C SER A 15 -2.664 4.892 -15.783 1.00 0.00 C ATOM 219 O SER A 15 -3.541 5.304 -16.515 1.00 0.00 O ATOM 220 CB SER A 15 -1.026 6.041 -17.277 1.00 0.00 C ATOM 221 OG SER A 15 -1.758 7.259 -17.338 1.00 0.00 O ATOM 0 H SER A 15 -0.063 3.755 -16.606 1.00 0.00 H new ATOM 0 HA SER A 15 -1.036 6.139 -15.125 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.033 6.231 -17.452 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.362 5.362 -18.060 1.00 0.00 H new ATOM 0 HG SER A 15 -2.705 7.081 -17.157 1.00 0.00 H new ATOM 227 N THR A 16 -2.914 4.001 -14.862 1.00 0.00 N ATOM 228 CA THR A 16 -4.296 3.468 -14.697 1.00 0.00 C ATOM 229 C THR A 16 -4.363 2.600 -13.439 1.00 0.00 C ATOM 230 O THR A 16 -5.323 2.641 -12.694 1.00 0.00 O ATOM 231 CB THR A 16 -4.667 2.624 -15.919 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.722 1.737 -15.576 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.449 1.818 -16.375 1.00 0.00 C ATOM 0 H THR A 16 -2.221 3.620 -14.217 1.00 0.00 H new ATOM 0 HA THR A 16 -4.996 4.299 -14.602 1.00 0.00 H new ATOM 0 HB THR A 16 -4.990 3.279 -16.729 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.962 1.197 -16.357 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.715 1.218 -17.245 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.640 2.499 -16.638 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.124 1.162 -15.567 1.00 0.00 H new ATOM 241 N MET A 17 -3.351 1.813 -13.196 1.00 0.00 N ATOM 242 CA MET A 17 -3.356 0.940 -11.988 1.00 0.00 C ATOM 243 C MET A 17 -3.779 1.752 -10.762 1.00 0.00 C ATOM 244 O MET A 17 -4.117 1.205 -9.731 1.00 0.00 O ATOM 245 CB MET A 17 -1.952 0.375 -11.763 1.00 0.00 C ATOM 246 CG MET A 17 -1.918 -0.394 -10.440 1.00 0.00 C ATOM 247 SD MET A 17 -0.575 -1.606 -10.482 1.00 0.00 S ATOM 248 CE MET A 17 -1.565 -3.023 -11.020 1.00 0.00 C ATOM 0 H MET A 17 -2.520 1.737 -13.782 1.00 0.00 H new ATOM 0 HA MET A 17 -4.061 0.123 -12.139 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.677 -0.284 -12.586 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.221 1.184 -11.745 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.773 0.297 -9.609 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.871 -0.897 -10.274 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.924 -3.900 -11.114 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.346 -3.221 -10.286 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.022 -2.803 -11.985 1.00 0.00 H new ATOM 258 N ARG A 18 -3.763 3.053 -10.861 1.00 0.00 N ATOM 259 CA ARG A 18 -4.164 3.892 -9.695 1.00 0.00 C ATOM 260 C ARG A 18 -5.682 4.084 -9.696 1.00 0.00 C ATOM 261 O ARG A 18 -6.331 3.976 -8.675 1.00 0.00 O ATOM 262 CB ARG A 18 -3.477 5.256 -9.783 1.00 0.00 C ATOM 263 CG ARG A 18 -2.114 5.099 -10.462 1.00 0.00 C ATOM 264 CD ARG A 18 -1.301 6.381 -10.273 1.00 0.00 C ATOM 265 NE ARG A 18 -0.664 6.760 -11.566 1.00 0.00 N ATOM 266 CZ ARG A 18 -0.774 7.981 -12.013 1.00 0.00 C ATOM 267 NH1 ARG A 18 -0.554 8.990 -11.216 1.00 0.00 N ATOM 268 NH2 ARG A 18 -1.106 8.193 -13.259 1.00 0.00 N ATOM 0 H ARG A 18 -3.490 3.571 -11.696 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.863 3.393 -8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.098 5.952 -10.347 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.352 5.677 -8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.579 4.250 -10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.246 4.892 -11.524 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.947 7.186 -9.924 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.538 6.231 -9.509 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.143 6.066 -12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.296 8.825 -10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.640 9.944 -11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.279 7.404 -13.882 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.192 9.147 -13.609 1.00 0.00 H new ATOM 282 N ARG A 19 -6.255 4.369 -10.834 1.00 0.00 N ATOM 283 CA ARG A 19 -7.732 4.568 -10.892 1.00 0.00 C ATOM 284 C ARG A 19 -8.437 3.250 -10.566 1.00 0.00 C ATOM 285 O ARG A 19 -9.625 3.216 -10.315 1.00 0.00 O ATOM 286 CB ARG A 19 -8.134 5.029 -12.296 1.00 0.00 C ATOM 287 CG ARG A 19 -9.515 5.684 -12.242 1.00 0.00 C ATOM 288 CD ARG A 19 -10.273 5.393 -13.540 1.00 0.00 C ATOM 289 NE ARG A 19 -10.845 4.018 -13.483 1.00 0.00 N ATOM 290 CZ ARG A 19 -12.138 3.852 -13.402 1.00 0.00 C ATOM 291 NH1 ARG A 19 -12.793 4.323 -12.375 1.00 0.00 N ATOM 292 NH2 ARG A 19 -12.775 3.214 -14.345 1.00 0.00 N ATOM 0 H ARG A 19 -5.766 4.472 -11.723 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.024 5.326 -10.165 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.400 5.736 -12.682 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.149 4.180 -12.979 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.076 5.303 -11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.413 6.760 -12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.069 6.124 -13.681 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.602 5.484 -14.394 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.227 3.207 -13.507 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.295 4.820 -11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.803 4.194 -12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.263 2.844 -15.146 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.785 3.085 -14.281 1.00 0.00 H new ATOM 306 N ILE A 20 -7.713 2.166 -10.568 1.00 0.00 N ATOM 307 CA ILE A 20 -8.341 0.851 -10.255 1.00 0.00 C ATOM 308 C ILE A 20 -8.506 0.718 -8.740 1.00 0.00 C ATOM 309 O ILE A 20 -9.562 0.374 -8.249 1.00 0.00 O ATOM 310 CB ILE A 20 -7.443 -0.276 -10.790 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.917 -0.681 -12.189 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.505 -1.501 -9.866 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.972 0.554 -13.091 1.00 0.00 C ATOM 0 H ILE A 20 -6.714 2.133 -10.773 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.321 0.783 -10.727 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.416 0.086 -10.830 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.240 -1.423 -12.612 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.902 -1.145 -12.130 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.863 -2.288 -10.262 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.165 -1.222 -8.869 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.531 -1.864 -9.811 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.309 0.263 -14.086 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.667 1.281 -12.670 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.979 0.998 -13.160 1.00 0.00 H new ATOM 325 N VAL A 21 -7.466 0.978 -7.997 1.00 0.00 N ATOM 326 CA VAL A 21 -7.564 0.854 -6.515 1.00 0.00 C ATOM 327 C VAL A 21 -8.445 1.976 -5.955 1.00 0.00 C ATOM 328 O VAL A 21 -9.189 1.779 -5.015 1.00 0.00 O ATOM 329 CB VAL A 21 -6.168 0.930 -5.893 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.846 -0.404 -5.215 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.132 1.203 -6.985 1.00 0.00 C ATOM 0 H VAL A 21 -6.555 1.270 -8.350 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.012 -0.108 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.141 1.735 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.852 -0.355 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.583 -0.604 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.874 -1.204 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.139 1.257 -6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.157 0.398 -7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.361 2.149 -7.475 1.00 0.00 H new ATOM 341 N ARG A 22 -8.375 3.147 -6.529 1.00 0.00 N ATOM 342 CA ARG A 22 -9.218 4.273 -6.030 1.00 0.00 C ATOM 343 C ARG A 22 -10.671 3.809 -5.929 1.00 0.00 C ATOM 344 O ARG A 22 -11.310 3.934 -4.905 1.00 0.00 O ATOM 345 CB ARG A 22 -9.139 5.435 -7.020 1.00 0.00 C ATOM 346 CG ARG A 22 -8.291 6.563 -6.430 1.00 0.00 C ATOM 347 CD ARG A 22 -8.222 7.722 -7.427 1.00 0.00 C ATOM 348 NE ARG A 22 -6.975 8.503 -7.198 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.411 9.140 -8.189 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.533 8.532 -8.940 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.725 10.384 -8.429 1.00 0.00 N ATOM 0 H ARG A 22 -7.772 3.373 -7.320 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.861 4.591 -5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.704 5.095 -7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.141 5.801 -7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.723 6.904 -5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.288 6.200 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.241 7.339 -8.447 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.093 8.367 -7.312 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.561 8.541 -6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.288 7.560 -8.753 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.092 9.029 -9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.411 10.859 -7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.284 10.881 -9.203 1.00 0.00 H new ATOM 365 N ASN A 23 -11.187 3.272 -6.996 1.00 0.00 N ATOM 366 CA ASN A 23 -12.582 2.788 -7.011 1.00 0.00 C ATOM 367 C ASN A 23 -12.710 1.588 -6.085 1.00 0.00 C ATOM 368 O ASN A 23 -13.508 1.564 -5.170 1.00 0.00 O ATOM 369 CB ASN A 23 -12.876 2.336 -8.426 1.00 0.00 C ATOM 370 CG ASN A 23 -14.221 2.897 -8.890 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.250 3.779 -9.851 1.00 0.00 O flip ATOM 372 ND2 ASN A 23 -15.256 2.529 -8.372 1.00 0.00 N flip ATOM 0 H ASN A 23 -10.685 3.148 -7.875 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.268 3.570 -6.686 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.083 2.671 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.892 1.247 -8.472 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.233 1.839 -7.621 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -16.148 2.909 -8.688 1.00 0.00 H new ATOM 379 N LEU A 24 -11.922 0.588 -6.347 1.00 0.00 N ATOM 380 CA LEU A 24 -11.953 -0.652 -5.528 1.00 0.00 C ATOM 381 C LEU A 24 -12.087 -0.292 -4.044 1.00 0.00 C ATOM 382 O LEU A 24 -12.925 -0.824 -3.348 1.00 0.00 O ATOM 383 CB LEU A 24 -10.645 -1.410 -5.771 1.00 0.00 C ATOM 384 CG LEU A 24 -10.770 -2.901 -5.379 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.512 -3.775 -6.610 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.744 -3.281 -4.303 1.00 0.00 C ATOM 0 H LEU A 24 -11.244 0.577 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.804 -1.273 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.368 -1.332 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.843 -0.948 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.775 -3.061 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.600 -4.826 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.244 -3.540 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.509 -3.582 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.857 -4.335 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.737 -3.105 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.908 -2.673 -3.413 1.00 0.00 H new ATOM 398 N LEU A 25 -11.285 0.614 -3.552 1.00 0.00 N ATOM 399 CA LEU A 25 -11.409 0.996 -2.115 1.00 0.00 C ATOM 400 C LEU A 25 -12.761 1.670 -1.908 1.00 0.00 C ATOM 401 O LEU A 25 -13.516 1.312 -1.026 1.00 0.00 O ATOM 402 CB LEU A 25 -10.296 1.977 -1.728 1.00 0.00 C ATOM 403 CG LEU A 25 -8.988 1.220 -1.488 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.808 2.153 -1.760 1.00 0.00 C ATOM 405 CD2 LEU A 25 -8.925 0.742 -0.032 1.00 0.00 C ATOM 0 H LEU A 25 -10.558 1.101 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.325 0.104 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.159 2.714 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.579 2.524 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.943 0.359 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.874 1.617 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.846 2.496 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.861 3.011 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.992 0.204 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.971 1.602 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.767 0.080 0.170 1.00 0.00 H new ATOM 417 N LYS A 26 -13.069 2.645 -2.715 1.00 0.00 N ATOM 418 CA LYS A 26 -14.369 3.345 -2.571 1.00 0.00 C ATOM 419 C LYS A 26 -15.488 2.312 -2.433 1.00 0.00 C ATOM 420 O LYS A 26 -16.470 2.539 -1.754 1.00 0.00 O ATOM 421 CB LYS A 26 -14.625 4.212 -3.806 1.00 0.00 C ATOM 422 CG LYS A 26 -14.684 5.686 -3.398 1.00 0.00 C ATOM 423 CD LYS A 26 -14.914 6.558 -4.639 1.00 0.00 C ATOM 424 CE LYS A 26 -16.262 6.211 -5.278 1.00 0.00 C ATOM 425 NZ LYS A 26 -16.059 5.186 -6.341 1.00 0.00 N ATOM 0 H LYS A 26 -12.473 2.986 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.344 3.978 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.834 4.059 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.561 3.918 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.488 5.842 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.755 5.975 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.894 7.612 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.110 6.402 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.949 5.834 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.716 7.106 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.348 5.577 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.054 4.919 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.632 4.345 -6.127 1.00 0.00 H new ATOM 439 N GLU A 27 -15.356 1.177 -3.073 1.00 0.00 N ATOM 440 CA GLU A 27 -16.424 0.148 -2.968 1.00 0.00 C ATOM 441 C GLU A 27 -16.785 -0.049 -1.498 1.00 0.00 C ATOM 442 O GLU A 27 -17.936 -0.215 -1.148 1.00 0.00 O ATOM 443 CB GLU A 27 -15.937 -1.180 -3.556 1.00 0.00 C ATOM 444 CG GLU A 27 -17.067 -2.216 -3.504 1.00 0.00 C ATOM 445 CD GLU A 27 -17.079 -3.025 -4.803 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.639 -2.543 -5.773 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.528 -4.114 -4.805 1.00 0.00 O ATOM 0 H GLU A 27 -14.560 0.924 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.300 0.481 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.611 -1.035 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.074 -1.541 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.927 -2.880 -2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.026 -1.717 -3.365 1.00 0.00 H new ATOM 454 N LEU A 28 -15.808 -0.027 -0.632 1.00 0.00 N ATOM 455 CA LEU A 28 -16.102 -0.208 0.816 1.00 0.00 C ATOM 456 C LEU A 28 -16.685 1.087 1.381 1.00 0.00 C ATOM 457 O LEU A 28 -17.845 1.154 1.737 1.00 0.00 O ATOM 458 CB LEU A 28 -14.811 -0.564 1.565 1.00 0.00 C ATOM 459 CG LEU A 28 -15.077 -1.686 2.579 1.00 0.00 C ATOM 460 CD1 LEU A 28 -13.754 -2.122 3.210 1.00 0.00 C ATOM 461 CD2 LEU A 28 -16.014 -1.179 3.680 1.00 0.00 C ATOM 0 H LEU A 28 -14.824 0.108 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.823 -1.016 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.046 -0.879 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.426 0.317 2.079 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.541 -2.530 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.940 -2.919 3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.082 -2.485 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.296 -1.273 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.200 -1.979 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.552 -0.334 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.958 -0.863 3.237 1.00 0.00 H new ATOM 473 N GLY A 29 -15.891 2.119 1.468 1.00 0.00 N ATOM 474 CA GLY A 29 -16.401 3.403 2.010 1.00 0.00 C ATOM 475 C GLY A 29 -15.259 4.419 2.179 1.00 0.00 C ATOM 476 O GLY A 29 -15.381 5.362 2.933 1.00 0.00 O ATOM 0 H GLY A 29 -14.911 2.125 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.159 3.810 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.885 3.230 2.971 1.00 0.00 H new ATOM 480 N PHE A 30 -14.159 4.247 1.492 1.00 0.00 N ATOM 481 CA PHE A 30 -13.029 5.218 1.635 1.00 0.00 C ATOM 482 C PHE A 30 -13.084 6.248 0.500 1.00 0.00 C ATOM 483 O PHE A 30 -13.356 5.909 -0.633 1.00 0.00 O ATOM 484 CB PHE A 30 -11.697 4.470 1.542 1.00 0.00 C ATOM 485 CG PHE A 30 -11.710 3.241 2.423 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.453 3.345 3.797 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.956 1.991 1.854 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.446 2.192 4.595 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.953 0.842 2.651 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.696 0.943 4.022 1.00 0.00 C ATOM 0 H PHE A 30 -13.993 3.480 0.840 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.114 5.719 2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.509 4.180 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.882 5.129 1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.261 4.311 4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.149 1.911 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.247 2.270 5.654 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.149 -0.123 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.691 0.056 4.637 1.00 0.00 H new ATOM 500 N ASN A 31 -12.829 7.502 0.790 1.00 0.00 N ATOM 501 CA ASN A 31 -12.867 8.537 -0.274 1.00 0.00 C ATOM 502 C ASN A 31 -11.773 9.593 -0.028 1.00 0.00 C ATOM 503 O ASN A 31 -12.057 10.741 0.253 1.00 0.00 O ATOM 504 CB ASN A 31 -14.243 9.200 -0.265 1.00 0.00 C ATOM 505 CG ASN A 31 -14.821 9.214 1.154 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.991 8.089 1.794 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -15.132 10.263 1.682 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.597 7.847 1.721 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.686 8.073 -1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.165 10.220 -0.642 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.916 8.663 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.000 11.143 1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.525 10.263 2.623 1.00 0.00 H new ATOM 514 N ASN A 32 -10.525 9.212 -0.146 1.00 0.00 N ATOM 515 CA ASN A 32 -9.404 10.184 0.068 1.00 0.00 C ATOM 516 C ASN A 32 -8.076 9.489 -0.263 1.00 0.00 C ATOM 517 O ASN A 32 -7.481 8.845 0.577 1.00 0.00 O ATOM 518 CB ASN A 32 -9.390 10.646 1.529 1.00 0.00 C ATOM 519 CG ASN A 32 -8.714 12.014 1.626 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.694 12.245 1.008 1.00 0.00 O ATOM 521 ND2 ASN A 32 -9.242 12.938 2.382 1.00 0.00 N ATOM 0 H ASN A 32 -10.231 8.264 -0.383 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.541 11.052 -0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.409 10.704 1.913 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.858 9.921 2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.798 13.854 2.454 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.098 12.744 2.901 1.00 0.00 H new ATOM 528 N VAL A 33 -7.623 9.588 -1.492 1.00 0.00 N ATOM 529 CA VAL A 33 -6.351 8.897 -1.887 1.00 0.00 C ATOM 530 C VAL A 33 -5.501 9.796 -2.792 1.00 0.00 C ATOM 531 O VAL A 33 -6.017 10.645 -3.492 1.00 0.00 O ATOM 532 CB VAL A 33 -6.717 7.634 -2.677 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.469 6.792 -2.945 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.734 6.798 -1.897 1.00 0.00 C ATOM 0 H VAL A 33 -8.077 10.116 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.783 8.658 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.154 7.940 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.746 5.900 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.753 7.376 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.017 6.499 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.985 5.905 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.306 6.507 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.636 7.386 -1.728 1.00 0.00 H new ATOM 544 N GLU A 34 -4.199 9.581 -2.809 1.00 0.00 N ATOM 545 CA GLU A 34 -3.313 10.383 -3.701 1.00 0.00 C ATOM 546 C GLU A 34 -2.496 9.410 -4.555 1.00 0.00 C ATOM 547 O GLU A 34 -2.743 8.217 -4.550 1.00 0.00 O ATOM 548 CB GLU A 34 -2.394 11.303 -2.876 1.00 0.00 C ATOM 549 CG GLU A 34 -1.187 10.539 -2.330 1.00 0.00 C ATOM 550 CD GLU A 34 -0.352 11.456 -1.437 1.00 0.00 C ATOM 551 OE1 GLU A 34 -0.438 12.660 -1.611 1.00 0.00 O ATOM 552 OE2 GLU A 34 0.359 10.938 -0.592 1.00 0.00 O ATOM 0 H GLU A 34 -3.720 8.883 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.912 11.027 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.052 12.131 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.957 11.736 -2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.522 9.671 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.578 10.166 -3.154 1.00 0.00 H new ATOM 559 N GLU A 35 -1.528 9.900 -5.279 1.00 0.00 N ATOM 560 CA GLU A 35 -0.708 8.997 -6.133 1.00 0.00 C ATOM 561 C GLU A 35 0.742 9.480 -6.165 1.00 0.00 C ATOM 562 O GLU A 35 1.039 10.619 -5.863 1.00 0.00 O ATOM 563 CB GLU A 35 -1.257 8.994 -7.565 1.00 0.00 C ATOM 564 CG GLU A 35 -2.787 8.898 -7.551 1.00 0.00 C ATOM 565 CD GLU A 35 -3.393 10.247 -7.148 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.701 11.245 -7.262 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.539 10.257 -6.732 1.00 0.00 O ATOM 0 H GLU A 35 -1.270 10.886 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.752 7.991 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.948 9.903 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.839 8.154 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.150 8.607 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.105 8.124 -6.852 1.00 0.00 H new ATOM 574 N ALA A 36 1.644 8.616 -6.548 1.00 0.00 N ATOM 575 CA ALA A 36 3.080 9.006 -6.627 1.00 0.00 C ATOM 576 C ALA A 36 3.696 8.368 -7.875 1.00 0.00 C ATOM 577 O ALA A 36 2.994 7.829 -8.708 1.00 0.00 O ATOM 578 CB ALA A 36 3.811 8.526 -5.373 1.00 0.00 C ATOM 0 H ALA A 36 1.445 7.651 -6.811 1.00 0.00 H new ATOM 0 HA ALA A 36 3.171 10.090 -6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.861 8.812 -5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.360 8.982 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.734 7.441 -5.300 1.00 0.00 H new ATOM 584 N GLU A 37 4.996 8.435 -8.019 1.00 0.00 N ATOM 585 CA GLU A 37 5.651 7.843 -9.228 1.00 0.00 C ATOM 586 C GLU A 37 6.882 7.026 -8.826 1.00 0.00 C ATOM 587 O GLU A 37 7.565 6.475 -9.665 1.00 0.00 O ATOM 588 CB GLU A 37 6.086 8.969 -10.169 1.00 0.00 C ATOM 589 CG GLU A 37 4.872 9.817 -10.554 1.00 0.00 C ATOM 590 CD GLU A 37 5.236 10.718 -11.736 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.345 10.597 -12.229 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.399 11.515 -12.127 1.00 0.00 O ATOM 0 H GLU A 37 5.632 8.873 -7.353 1.00 0.00 H new ATOM 0 HA GLU A 37 4.937 7.188 -9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.838 9.592 -9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.548 8.551 -11.063 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.034 9.173 -10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.554 10.422 -9.705 1.00 0.00 H new ATOM 599 N ASP A 38 7.182 6.939 -7.556 1.00 0.00 N ATOM 600 CA ASP A 38 8.375 6.155 -7.132 1.00 0.00 C ATOM 601 C ASP A 38 8.564 6.299 -5.623 1.00 0.00 C ATOM 602 O ASP A 38 7.763 6.905 -4.942 1.00 0.00 O ATOM 603 CB ASP A 38 9.625 6.680 -7.847 1.00 0.00 C ATOM 604 CG ASP A 38 10.150 5.615 -8.810 1.00 0.00 C ATOM 605 OD1 ASP A 38 10.933 4.787 -8.374 1.00 0.00 O ATOM 606 OD2 ASP A 38 9.764 5.646 -9.967 1.00 0.00 O ATOM 0 H ASP A 38 6.655 7.375 -6.800 1.00 0.00 H new ATOM 0 HA ASP A 38 8.225 5.107 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.388 7.593 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.393 6.936 -7.117 1.00 0.00 H new ATOM 611 N GLY A 39 9.624 5.751 -5.095 1.00 0.00 N ATOM 612 CA GLY A 39 9.864 5.868 -3.632 1.00 0.00 C ATOM 613 C GLY A 39 10.075 7.339 -3.277 1.00 0.00 C ATOM 614 O GLY A 39 9.405 7.883 -2.422 1.00 0.00 O ATOM 0 H GLY A 39 10.331 5.229 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.016 5.465 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.738 5.283 -3.346 1.00 0.00 H new ATOM 618 N VAL A 40 10.996 7.991 -3.933 1.00 0.00 N ATOM 619 CA VAL A 40 11.237 9.428 -3.638 1.00 0.00 C ATOM 620 C VAL A 40 9.933 10.198 -3.842 1.00 0.00 C ATOM 621 O VAL A 40 9.616 11.116 -3.109 1.00 0.00 O ATOM 622 CB VAL A 40 12.311 9.975 -4.581 1.00 0.00 C ATOM 623 CG1 VAL A 40 13.602 9.174 -4.404 1.00 0.00 C ATOM 624 CG2 VAL A 40 11.827 9.850 -6.028 1.00 0.00 C ATOM 0 H VAL A 40 11.590 7.590 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 40 11.577 9.542 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 40 12.500 11.023 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.367 9.564 -5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.946 9.261 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.415 8.126 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.590 10.239 -6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.639 8.802 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.907 10.420 -6.154 1.00 0.00 H new ATOM 634 N ASP A 41 9.165 9.817 -4.825 1.00 0.00 N ATOM 635 CA ASP A 41 7.876 10.509 -5.070 1.00 0.00 C ATOM 636 C ASP A 41 6.975 10.293 -3.861 1.00 0.00 C ATOM 637 O ASP A 41 6.344 11.204 -3.364 1.00 0.00 O ATOM 638 CB ASP A 41 7.217 9.908 -6.306 1.00 0.00 C ATOM 639 CG ASP A 41 6.123 10.847 -6.816 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.319 11.282 -6.008 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.108 11.116 -8.007 1.00 0.00 O ATOM 0 H ASP A 41 9.378 9.055 -5.468 1.00 0.00 H new ATOM 0 HA ASP A 41 8.041 11.575 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.962 9.746 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.791 8.934 -6.065 1.00 0.00 H new ATOM 646 N ALA A 42 6.916 9.085 -3.381 1.00 0.00 N ATOM 647 CA ALA A 42 6.065 8.801 -2.196 1.00 0.00 C ATOM 648 C ALA A 42 6.477 9.729 -1.052 1.00 0.00 C ATOM 649 O ALA A 42 5.738 10.604 -0.660 1.00 0.00 O ATOM 650 CB ALA A 42 6.253 7.343 -1.769 1.00 0.00 C ATOM 0 H ALA A 42 7.420 8.282 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 42 5.017 8.969 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.629 7.135 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.966 6.684 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.299 7.170 -1.514 1.00 0.00 H new ATOM 656 N LEU A 43 7.654 9.544 -0.519 1.00 0.00 N ATOM 657 CA LEU A 43 8.125 10.407 0.606 1.00 0.00 C ATOM 658 C LEU A 43 7.781 11.876 0.330 1.00 0.00 C ATOM 659 O LEU A 43 7.597 12.659 1.242 1.00 0.00 O ATOM 660 CB LEU A 43 9.649 10.258 0.745 1.00 0.00 C ATOM 661 CG LEU A 43 10.074 10.268 2.222 1.00 0.00 C ATOM 662 CD1 LEU A 43 9.588 11.551 2.901 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.489 9.050 2.948 1.00 0.00 C ATOM 0 H LEU A 43 8.316 8.827 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 43 7.631 10.097 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.971 9.327 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.147 11.070 0.215 1.00 0.00 H new ATOM 0 HG LEU A 43 11.162 10.226 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.895 11.548 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.022 12.415 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.501 11.605 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.797 9.067 3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.401 9.079 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.853 8.137 2.478 1.00 0.00 H new ATOM 675 N ASN A 44 7.703 12.265 -0.914 1.00 0.00 N ATOM 676 CA ASN A 44 7.387 13.692 -1.226 1.00 0.00 C ATOM 677 C ASN A 44 5.883 13.959 -1.092 1.00 0.00 C ATOM 678 O ASN A 44 5.470 14.903 -0.449 1.00 0.00 O ATOM 679 CB ASN A 44 7.833 14.014 -2.655 1.00 0.00 C ATOM 680 CG ASN A 44 9.349 14.219 -2.684 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.892 14.938 -1.869 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.059 13.613 -3.596 1.00 0.00 N ATOM 0 H ASN A 44 7.843 11.662 -1.725 1.00 0.00 H new ATOM 0 HA ASN A 44 7.919 14.327 -0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.552 13.202 -3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.327 14.911 -3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.070 13.743 -3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.603 13.009 -4.280 1.00 0.00 H new ATOM 689 N LYS A 45 5.063 13.151 -1.704 1.00 0.00 N ATOM 690 CA LYS A 45 3.587 13.382 -1.621 1.00 0.00 C ATOM 691 C LYS A 45 2.994 12.647 -0.418 1.00 0.00 C ATOM 692 O LYS A 45 1.816 12.752 -0.140 1.00 0.00 O ATOM 693 CB LYS A 45 2.918 12.862 -2.898 1.00 0.00 C ATOM 694 CG LYS A 45 2.242 14.023 -3.630 1.00 0.00 C ATOM 695 CD LYS A 45 1.483 13.489 -4.848 1.00 0.00 C ATOM 696 CE LYS A 45 0.493 14.548 -5.338 1.00 0.00 C ATOM 697 NZ LYS A 45 -0.817 14.357 -4.653 1.00 0.00 N ATOM 0 H LYS A 45 5.346 12.342 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 45 3.409 14.451 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.660 12.393 -3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.182 12.097 -2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.556 14.539 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.989 14.752 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.184 13.235 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.952 12.573 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.881 15.546 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.366 14.471 -6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.435 15.169 -4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.267 13.486 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.665 14.282 -3.627 1.00 0.00 H new ATOM 711 N LEU A 46 3.787 11.896 0.290 1.00 0.00 N ATOM 712 CA LEU A 46 3.249 11.150 1.463 1.00 0.00 C ATOM 713 C LEU A 46 3.368 12.014 2.720 1.00 0.00 C ATOM 714 O LEU A 46 2.470 12.062 3.536 1.00 0.00 O ATOM 715 CB LEU A 46 4.041 9.845 1.632 1.00 0.00 C ATOM 716 CG LEU A 46 3.260 8.830 2.501 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.477 7.386 2.012 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.747 8.923 3.940 1.00 0.00 C ATOM 0 H LEU A 46 4.782 11.765 0.110 1.00 0.00 H new ATOM 0 HA LEU A 46 2.197 10.912 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.245 9.410 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.005 10.058 2.093 1.00 0.00 H new ATOM 0 HG LEU A 46 2.200 9.072 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.914 6.699 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.133 7.295 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.538 7.140 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.200 8.210 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.812 8.694 3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.579 9.932 4.317 1.00 0.00 H new ATOM 730 N GLN A 47 4.462 12.704 2.881 1.00 0.00 N ATOM 731 CA GLN A 47 4.620 13.567 4.086 1.00 0.00 C ATOM 732 C GLN A 47 3.538 14.649 4.063 1.00 0.00 C ATOM 733 O GLN A 47 3.468 15.492 4.935 1.00 0.00 O ATOM 734 CB GLN A 47 6.004 14.222 4.074 1.00 0.00 C ATOM 735 CG GLN A 47 6.184 15.076 5.333 1.00 0.00 C ATOM 736 CD GLN A 47 7.567 14.813 5.934 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.881 13.699 6.301 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.413 15.800 6.051 1.00 0.00 N ATOM 0 H GLN A 47 5.251 12.709 2.234 1.00 0.00 H new ATOM 0 HA GLN A 47 4.521 12.964 4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.779 13.456 4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.116 14.841 3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.077 16.133 5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.408 14.838 6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.150 16.736 5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.337 15.635 6.450 1.00 0.00 H new ATOM 747 N ALA A 48 2.697 14.628 3.062 1.00 0.00 N ATOM 748 CA ALA A 48 1.617 15.645 2.961 1.00 0.00 C ATOM 749 C ALA A 48 0.955 15.837 4.327 1.00 0.00 C ATOM 750 O ALA A 48 0.966 16.920 4.879 1.00 0.00 O ATOM 751 CB ALA A 48 0.570 15.176 1.949 1.00 0.00 C ATOM 0 H ALA A 48 2.715 13.943 2.306 1.00 0.00 H new ATOM 0 HA ALA A 48 2.045 16.592 2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.223 15.921 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.039 15.046 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.146 14.227 2.277 1.00 0.00 H new ATOM 757 N GLY A 49 0.377 14.803 4.880 1.00 0.00 N ATOM 758 CA GLY A 49 -0.281 14.957 6.210 1.00 0.00 C ATOM 759 C GLY A 49 -0.204 13.644 6.990 1.00 0.00 C ATOM 760 O GLY A 49 -0.852 13.479 8.006 1.00 0.00 O ATOM 0 H GLY A 49 0.332 13.869 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.204 15.753 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.323 15.250 6.077 1.00 0.00 H new ATOM 764 N GLY A 50 0.572 12.704 6.527 1.00 0.00 N ATOM 765 CA GLY A 50 0.671 11.405 7.248 1.00 0.00 C ATOM 766 C GLY A 50 -0.387 10.462 6.688 1.00 0.00 C ATOM 767 O GLY A 50 -1.545 10.527 7.049 1.00 0.00 O ATOM 0 H GLY A 50 1.140 12.779 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.665 10.977 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.520 11.552 8.317 1.00 0.00 H new ATOM 771 N TYR A 51 -0.008 9.600 5.787 1.00 0.00 N ATOM 772 CA TYR A 51 -1.005 8.679 5.188 1.00 0.00 C ATOM 773 C TYR A 51 -1.292 7.518 6.134 1.00 0.00 C ATOM 774 O TYR A 51 -0.403 6.812 6.568 1.00 0.00 O ATOM 775 CB TYR A 51 -0.483 8.183 3.841 1.00 0.00 C ATOM 776 CG TYR A 51 -0.913 9.194 2.814 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.230 10.410 2.706 1.00 0.00 C ATOM 778 CD2 TYR A 51 -2.035 8.945 2.023 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.669 11.377 1.795 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.485 9.917 1.124 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.802 11.134 1.009 1.00 0.00 C ATOM 782 OH TYR A 51 -2.260 12.101 0.139 1.00 0.00 O ATOM 0 H TYR A 51 0.946 9.496 5.442 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.944 9.208 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.603 8.086 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.887 7.198 3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.634 10.602 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.556 8.002 2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.134 12.310 1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.359 9.729 0.518 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.545 12.748 -0.036 1.00 0.00 H new ATOM 792 N GLY A 52 -2.542 7.333 6.468 1.00 0.00 N ATOM 793 CA GLY A 52 -2.916 6.239 7.401 1.00 0.00 C ATOM 794 C GLY A 52 -2.777 4.883 6.712 1.00 0.00 C ATOM 795 O GLY A 52 -2.993 3.849 7.312 1.00 0.00 O ATOM 0 H GLY A 52 -3.322 7.898 6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.279 6.272 8.285 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.942 6.378 7.742 1.00 0.00 H new ATOM 799 N PHE A 53 -2.448 4.866 5.451 1.00 0.00 N ATOM 800 CA PHE A 53 -2.329 3.558 4.746 1.00 0.00 C ATOM 801 C PHE A 53 -1.645 3.772 3.387 1.00 0.00 C ATOM 802 O PHE A 53 -1.855 4.778 2.732 1.00 0.00 O ATOM 803 CB PHE A 53 -3.742 3.011 4.561 1.00 0.00 C ATOM 804 CG PHE A 53 -3.728 1.517 4.384 1.00 0.00 C ATOM 805 CD1 PHE A 53 -3.207 0.966 3.218 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.280 0.686 5.366 1.00 0.00 C ATOM 807 CE1 PHE A 53 -3.236 -0.408 3.025 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.303 -0.692 5.178 1.00 0.00 C ATOM 809 CZ PHE A 53 -3.784 -1.245 4.003 1.00 0.00 C ATOM 0 H PHE A 53 -2.258 5.691 4.882 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.728 2.851 5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.352 3.272 5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.205 3.479 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.779 1.608 2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.688 1.115 6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.834 -0.833 2.117 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.721 -1.334 5.939 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.806 -2.314 3.851 1.00 0.00 H new ATOM 819 N VAL A 54 -0.812 2.853 2.966 1.00 0.00 N ATOM 820 CA VAL A 54 -0.107 3.038 1.657 1.00 0.00 C ATOM 821 C VAL A 54 -0.139 1.754 0.822 1.00 0.00 C ATOM 822 O VAL A 54 -0.314 0.665 1.328 1.00 0.00 O ATOM 823 CB VAL A 54 1.344 3.433 1.926 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.058 3.715 0.603 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.367 4.690 2.794 1.00 0.00 C ATOM 0 H VAL A 54 -0.590 1.991 3.465 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.617 3.820 1.095 1.00 0.00 H new ATOM 0 HB VAL A 54 1.853 2.618 2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.092 3.996 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.038 2.820 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.553 4.530 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.400 4.978 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.857 5.501 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.861 4.489 3.738 1.00 0.00 H new ATOM 835 N ILE A 55 0.035 1.893 -0.466 1.00 0.00 N ATOM 836 CA ILE A 55 0.028 0.711 -1.375 1.00 0.00 C ATOM 837 C ILE A 55 1.068 0.941 -2.477 1.00 0.00 C ATOM 838 O ILE A 55 1.064 1.964 -3.130 1.00 0.00 O ATOM 839 CB ILE A 55 -1.357 0.567 -2.009 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.430 0.702 -0.926 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.477 -0.804 -2.676 1.00 0.00 C ATOM 842 CD1 ILE A 55 -3.810 0.477 -1.544 1.00 0.00 C ATOM 0 H ILE A 55 0.184 2.788 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 55 0.265 -0.194 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.494 1.347 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.253 -0.023 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.380 1.691 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.464 -0.904 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.714 -0.901 -3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.338 -1.585 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.574 0.573 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.985 1.219 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.856 -0.522 -1.978 1.00 0.00 H new ATOM 854 N SER A 56 1.962 0.013 -2.690 1.00 0.00 N ATOM 855 CA SER A 56 2.994 0.214 -3.752 1.00 0.00 C ATOM 856 C SER A 56 3.372 -1.128 -4.381 1.00 0.00 C ATOM 857 O SER A 56 3.203 -2.175 -3.791 1.00 0.00 O ATOM 858 CB SER A 56 4.240 0.849 -3.135 1.00 0.00 C ATOM 859 OG SER A 56 5.028 -0.163 -2.522 1.00 0.00 O ATOM 0 H SER A 56 2.024 -0.868 -2.181 1.00 0.00 H new ATOM 0 HA SER A 56 2.586 0.868 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.819 1.362 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.953 1.599 -2.398 1.00 0.00 H new ATOM 0 HG SER A 56 5.829 0.241 -2.127 1.00 0.00 H new ATOM 865 N ASP A 57 3.889 -1.102 -5.579 1.00 0.00 N ATOM 866 CA ASP A 57 4.282 -2.372 -6.250 1.00 0.00 C ATOM 867 C ASP A 57 5.441 -3.013 -5.481 1.00 0.00 C ATOM 868 O ASP A 57 5.443 -3.048 -4.266 1.00 0.00 O ATOM 869 CB ASP A 57 4.724 -2.070 -7.683 1.00 0.00 C ATOM 870 CG ASP A 57 4.636 -3.343 -8.528 1.00 0.00 C ATOM 871 OD1 ASP A 57 5.128 -4.367 -8.080 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.076 -3.274 -9.609 1.00 0.00 O ATOM 0 H ASP A 57 4.056 -0.255 -6.122 1.00 0.00 H new ATOM 0 HA ASP A 57 3.434 -3.057 -6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.093 -1.292 -8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.745 -1.689 -7.686 1.00 0.00 H new ATOM 877 N TRP A 58 6.424 -3.521 -6.178 1.00 0.00 N ATOM 878 CA TRP A 58 7.578 -4.165 -5.486 1.00 0.00 C ATOM 879 C TRP A 58 8.656 -4.524 -6.516 1.00 0.00 C ATOM 880 O TRP A 58 8.475 -5.401 -7.337 1.00 0.00 O ATOM 881 CB TRP A 58 7.090 -5.442 -4.795 1.00 0.00 C ATOM 882 CG TRP A 58 8.231 -6.129 -4.119 1.00 0.00 C ATOM 883 CD1 TRP A 58 8.992 -7.098 -4.676 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.745 -5.930 -2.769 1.00 0.00 C ATOM 885 NE1 TRP A 58 9.940 -7.507 -3.755 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.828 -6.816 -2.564 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.380 -5.073 -1.715 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.524 -6.854 -1.354 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.078 -5.108 -0.497 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.148 -5.998 -0.316 1.00 0.00 C ATOM 0 H TRP A 58 6.477 -3.517 -7.197 1.00 0.00 H new ATOM 0 HA TRP A 58 7.997 -3.480 -4.749 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.319 -5.197 -4.065 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.636 -6.110 -5.527 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.878 -7.489 -5.676 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.637 -8.230 -3.934 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.558 -4.384 -1.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.347 -7.540 -1.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.790 -4.446 0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.680 -6.021 0.624 1.00 0.00 H new ATOM 901 N ASN A 59 9.778 -3.854 -6.479 1.00 0.00 N ATOM 902 CA ASN A 59 10.864 -4.163 -7.455 1.00 0.00 C ATOM 903 C ASN A 59 10.411 -3.779 -8.866 1.00 0.00 C ATOM 904 O ASN A 59 10.853 -4.348 -9.845 1.00 0.00 O ATOM 905 CB ASN A 59 11.177 -5.662 -7.410 1.00 0.00 C ATOM 906 CG ASN A 59 12.650 -5.900 -7.753 1.00 0.00 C ATOM 907 OD1 ASN A 59 13.336 -5.002 -8.201 1.00 0.00 O ATOM 908 ND2 ASN A 59 13.167 -7.083 -7.564 1.00 0.00 N ATOM 0 H ASN A 59 9.989 -3.108 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 59 11.757 -3.595 -7.195 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.957 -6.058 -6.419 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.540 -6.196 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.146 -7.254 -7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.592 -7.837 -7.188 1.00 0.00 H new ATOM 915 N MET A 60 9.530 -2.819 -8.973 1.00 0.00 N ATOM 916 CA MET A 60 9.032 -2.390 -10.311 1.00 0.00 C ATOM 917 C MET A 60 9.706 -1.084 -10.779 1.00 0.00 C ATOM 918 O MET A 60 10.037 -0.969 -11.943 1.00 0.00 O ATOM 919 CB MET A 60 7.519 -2.180 -10.243 1.00 0.00 C ATOM 920 CG MET A 60 6.851 -2.898 -11.417 1.00 0.00 C ATOM 921 SD MET A 60 6.964 -4.688 -11.173 1.00 0.00 S ATOM 922 CE MET A 60 6.229 -5.178 -12.753 1.00 0.00 C ATOM 0 H MET A 60 9.132 -2.310 -8.184 1.00 0.00 H new ATOM 0 HA MET A 60 9.278 -3.173 -11.029 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.130 -2.563 -9.300 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.287 -1.115 -10.274 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.807 -2.596 -11.495 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.335 -2.616 -12.352 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.198 -6.266 -12.818 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.216 -4.782 -12.821 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.830 -4.782 -13.572 1.00 0.00 H new ATOM 932 N PRO A 61 9.876 -0.119 -9.894 1.00 0.00 N ATOM 933 CA PRO A 61 10.485 1.170 -10.277 1.00 0.00 C ATOM 934 C PRO A 61 11.950 0.972 -10.686 1.00 0.00 C ATOM 935 O PRO A 61 12.281 0.995 -11.855 1.00 0.00 O ATOM 936 CB PRO A 61 10.371 2.049 -9.023 1.00 0.00 C ATOM 937 CG PRO A 61 9.672 1.212 -7.923 1.00 0.00 C ATOM 938 CD PRO A 61 9.491 -0.213 -8.469 1.00 0.00 C ATOM 0 HA PRO A 61 9.989 1.625 -11.134 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.358 2.370 -8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.798 2.951 -9.239 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.271 1.200 -7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.707 1.649 -7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.120 -0.925 -7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.461 -0.552 -8.358 1.00 0.00 H new ATOM 946 N ASN A 62 12.828 0.779 -9.742 1.00 0.00 N ATOM 947 CA ASN A 62 14.263 0.582 -10.091 1.00 0.00 C ATOM 948 C ASN A 62 14.934 -0.276 -9.018 1.00 0.00 C ATOM 949 O ASN A 62 15.216 -1.440 -9.227 1.00 0.00 O ATOM 950 CB ASN A 62 14.961 1.942 -10.172 1.00 0.00 C ATOM 951 CG ASN A 62 13.971 3.046 -9.794 1.00 0.00 C ATOM 952 OD1 ASN A 62 13.742 3.298 -8.535 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 13.401 3.688 -10.655 1.00 0.00 N flip ATOM 0 H ASN A 62 12.615 0.749 -8.745 1.00 0.00 H new ATOM 0 HA ASN A 62 14.338 0.080 -11.056 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.819 1.963 -9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.341 2.109 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.580 3.492 -11.640 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.744 4.423 -10.392 1.00 0.00 H new ATOM 960 N MET A 63 15.190 0.286 -7.869 1.00 0.00 N ATOM 961 CA MET A 63 15.839 -0.503 -6.785 1.00 0.00 C ATOM 962 C MET A 63 14.816 -1.473 -6.189 1.00 0.00 C ATOM 963 O MET A 63 14.691 -2.600 -6.624 1.00 0.00 O ATOM 964 CB MET A 63 16.344 0.449 -5.696 1.00 0.00 C ATOM 965 CG MET A 63 17.377 1.408 -6.291 1.00 0.00 C ATOM 966 SD MET A 63 18.816 1.500 -5.197 1.00 0.00 S ATOM 967 CE MET A 63 17.997 2.330 -3.813 1.00 0.00 C ATOM 0 H MET A 63 14.978 1.256 -7.634 1.00 0.00 H new ATOM 0 HA MET A 63 16.681 -1.065 -7.190 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.510 1.012 -5.276 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.789 -0.120 -4.879 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.680 1.065 -7.280 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.939 2.398 -6.418 1.00 0.00 H new ATOM 0 HE1 MET A 63 18.748 2.711 -3.121 1.00 0.00 H new ATOM 0 HE2 MET A 63 17.397 3.158 -4.189 1.00 0.00 H new ATOM 0 HE3 MET A 63 17.352 1.621 -3.294 1.00 0.00 H new ATOM 977 N ASP A 64 14.082 -1.042 -5.200 1.00 0.00 N ATOM 978 CA ASP A 64 13.064 -1.934 -4.576 1.00 0.00 C ATOM 979 C ASP A 64 12.229 -1.122 -3.584 1.00 0.00 C ATOM 980 O ASP A 64 12.746 -0.287 -2.868 1.00 0.00 O ATOM 981 CB ASP A 64 13.767 -3.075 -3.834 1.00 0.00 C ATOM 982 CG ASP A 64 12.724 -4.048 -3.282 1.00 0.00 C ATOM 983 OD1 ASP A 64 11.563 -3.677 -3.235 1.00 0.00 O ATOM 984 OD2 ASP A 64 13.104 -5.147 -2.915 1.00 0.00 O ATOM 0 H ASP A 64 14.144 -0.107 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 64 12.418 -2.350 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.445 -3.597 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.372 -2.675 -3.021 1.00 0.00 H new ATOM 989 N GLY A 65 10.945 -1.354 -3.530 1.00 0.00 N ATOM 990 CA GLY A 65 10.102 -0.581 -2.575 1.00 0.00 C ATOM 991 C GLY A 65 10.409 -1.036 -1.144 1.00 0.00 C ATOM 992 O GLY A 65 9.670 -0.756 -0.220 1.00 0.00 O ATOM 0 H GLY A 65 10.448 -2.038 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.299 0.486 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.046 -0.734 -2.799 1.00 0.00 H new ATOM 996 N LEU A 66 11.501 -1.727 -0.949 1.00 0.00 N ATOM 997 CA LEU A 66 11.853 -2.175 0.425 1.00 0.00 C ATOM 998 C LEU A 66 12.511 -1.002 1.149 1.00 0.00 C ATOM 999 O LEU A 66 12.054 -0.561 2.185 1.00 0.00 O ATOM 1000 CB LEU A 66 12.820 -3.363 0.356 1.00 0.00 C ATOM 1001 CG LEU A 66 13.394 -3.662 1.747 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.261 -3.750 2.773 1.00 0.00 C ATOM 1003 CD2 LEU A 66 14.141 -4.996 1.710 1.00 0.00 C ATOM 0 H LEU A 66 12.160 -1.998 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 66 10.959 -2.494 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.301 -4.241 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.630 -3.142 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 66 14.076 -2.861 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.677 -3.963 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.723 -2.802 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.575 -4.548 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.550 -5.211 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.453 -5.790 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.953 -4.938 0.985 1.00 0.00 H new ATOM 1015 N GLU A 67 13.570 -0.473 0.595 1.00 0.00 N ATOM 1016 CA GLU A 67 14.235 0.693 1.236 1.00 0.00 C ATOM 1017 C GLU A 67 13.219 1.831 1.307 1.00 0.00 C ATOM 1018 O GLU A 67 13.319 2.726 2.123 1.00 0.00 O ATOM 1019 CB GLU A 67 15.441 1.125 0.401 1.00 0.00 C ATOM 1020 CG GLU A 67 16.615 1.452 1.328 1.00 0.00 C ATOM 1021 CD GLU A 67 17.239 0.153 1.841 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.525 -0.834 1.917 1.00 0.00 O ATOM 1023 OE2 GLU A 67 18.419 0.167 2.151 1.00 0.00 O ATOM 0 H GLU A 67 14.000 -0.798 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 67 14.583 0.431 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.721 0.331 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.186 1.997 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.361 2.040 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.272 2.059 2.166 1.00 0.00 H new ATOM 1030 N LEU A 68 12.222 1.780 0.464 1.00 0.00 N ATOM 1031 CA LEU A 68 11.165 2.826 0.474 1.00 0.00 C ATOM 1032 C LEU A 68 10.441 2.734 1.812 1.00 0.00 C ATOM 1033 O LEU A 68 10.419 3.665 2.591 1.00 0.00 O ATOM 1034 CB LEU A 68 10.191 2.542 -0.678 1.00 0.00 C ATOM 1035 CG LEU A 68 8.935 3.410 -0.562 1.00 0.00 C ATOM 1036 CD1 LEU A 68 9.335 4.881 -0.480 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.054 3.184 -1.798 1.00 0.00 C ATOM 0 H LEU A 68 12.096 1.050 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 68 11.584 3.824 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.684 2.735 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.911 1.489 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 68 8.382 3.139 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.440 5.497 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.966 5.038 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.885 5.159 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.157 3.799 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.608 3.459 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.770 2.133 -1.855 1.00 0.00 H new ATOM 1049 N LEU A 69 9.874 1.594 2.088 1.00 0.00 N ATOM 1050 CA LEU A 69 9.167 1.390 3.383 1.00 0.00 C ATOM 1051 C LEU A 69 10.063 1.879 4.520 1.00 0.00 C ATOM 1052 O LEU A 69 9.733 2.799 5.245 1.00 0.00 O ATOM 1053 CB LEU A 69 8.924 -0.106 3.569 1.00 0.00 C ATOM 1054 CG LEU A 69 7.435 -0.464 3.456 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.313 -1.920 3.028 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.750 -0.312 4.813 1.00 0.00 C ATOM 0 H LEU A 69 9.870 0.786 1.465 1.00 0.00 H new ATOM 0 HA LEU A 69 8.224 1.937 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.488 -0.661 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.299 -0.416 4.545 1.00 0.00 H new ATOM 0 HG LEU A 69 6.965 0.200 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.260 -2.187 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.801 -2.058 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.791 -2.559 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.695 -0.569 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.222 -0.977 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.843 0.719 5.154 1.00 0.00 H new ATOM 1068 N LYS A 70 11.194 1.244 4.678 1.00 0.00 N ATOM 1069 CA LYS A 70 12.148 1.627 5.762 1.00 0.00 C ATOM 1070 C LYS A 70 12.217 3.151 5.894 1.00 0.00 C ATOM 1071 O LYS A 70 12.201 3.688 6.982 1.00 0.00 O ATOM 1072 CB LYS A 70 13.537 1.080 5.423 1.00 0.00 C ATOM 1073 CG LYS A 70 14.361 0.922 6.703 1.00 0.00 C ATOM 1074 CD LYS A 70 15.715 0.298 6.360 1.00 0.00 C ATOM 1075 CE LYS A 70 16.708 0.573 7.491 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.465 1.822 7.196 1.00 0.00 N ATOM 0 H LYS A 70 11.502 0.466 4.095 1.00 0.00 H new ATOM 0 HA LYS A 70 11.803 1.208 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.445 0.118 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.045 1.755 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.505 1.892 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.828 0.293 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.605 -0.776 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.091 0.711 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.178 0.672 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.396 -0.266 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.140 2.009 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.982 1.711 6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.802 2.619 7.116 1.00 0.00 H new ATOM 1090 N THR A 71 12.293 3.858 4.801 1.00 0.00 N ATOM 1091 CA THR A 71 12.358 5.344 4.888 1.00 0.00 C ATOM 1092 C THR A 71 11.116 5.852 5.617 1.00 0.00 C ATOM 1093 O THR A 71 11.180 6.768 6.414 1.00 0.00 O ATOM 1094 CB THR A 71 12.409 5.943 3.481 1.00 0.00 C ATOM 1095 OG1 THR A 71 12.450 4.894 2.524 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.657 6.816 3.341 1.00 0.00 C ATOM 0 H THR A 71 12.313 3.474 3.856 1.00 0.00 H new ATOM 0 HA THR A 71 13.254 5.641 5.433 1.00 0.00 H new ATOM 0 HB THR A 71 11.522 6.554 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.267 4.368 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.692 7.242 2.338 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.623 7.620 4.076 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.547 6.209 3.509 1.00 0.00 H new ATOM 1104 N ILE A 72 9.985 5.259 5.356 1.00 0.00 N ATOM 1105 CA ILE A 72 8.737 5.700 6.038 1.00 0.00 C ATOM 1106 C ILE A 72 8.915 5.559 7.551 1.00 0.00 C ATOM 1107 O ILE A 72 8.508 6.411 8.315 1.00 0.00 O ATOM 1108 CB ILE A 72 7.568 4.821 5.588 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.538 4.740 4.058 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.254 5.424 6.086 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.422 3.789 3.615 1.00 0.00 C ATOM 0 H ILE A 72 9.871 4.487 4.699 1.00 0.00 H new ATOM 0 HA ILE A 72 8.531 6.739 5.782 1.00 0.00 H new ATOM 0 HB ILE A 72 7.694 3.820 6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.374 5.731 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.499 4.388 3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.422 4.798 5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.268 5.479 7.175 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.134 6.426 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.402 3.733 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.605 2.796 4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.463 4.160 3.976 1.00 0.00 H new ATOM 1123 N ARG A 73 9.515 4.484 7.989 1.00 0.00 N ATOM 1124 CA ARG A 73 9.717 4.284 9.454 1.00 0.00 C ATOM 1125 C ARG A 73 10.342 5.541 10.061 1.00 0.00 C ATOM 1126 O ARG A 73 10.122 5.859 11.214 1.00 0.00 O ATOM 1127 CB ARG A 73 10.644 3.090 9.688 1.00 0.00 C ATOM 1128 CG ARG A 73 10.869 2.902 11.190 1.00 0.00 C ATOM 1129 CD ARG A 73 11.035 1.412 11.499 1.00 0.00 C ATOM 1130 NE ARG A 73 12.087 0.834 10.615 1.00 0.00 N ATOM 1131 CZ ARG A 73 12.744 -0.229 10.992 1.00 0.00 C ATOM 1132 NH1 ARG A 73 12.200 -1.072 11.825 1.00 0.00 N ATOM 1133 NH2 ARG A 73 13.947 -0.449 10.535 1.00 0.00 N ATOM 0 H ARG A 73 9.874 3.736 7.396 1.00 0.00 H new ATOM 0 HA ARG A 73 8.754 4.092 9.927 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.207 2.188 9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.597 3.252 9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.756 3.451 11.507 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.026 3.308 11.748 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.309 1.275 12.545 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.090 0.891 11.346 1.00 0.00 H new ATOM 0 HE ARG A 73 12.293 1.269 9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.260 -0.901 12.183 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.714 -1.902 12.119 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.373 0.210 9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.460 -1.280 10.830 1.00 0.00 H new ATOM 1147 N ALA A 74 11.120 6.259 9.296 1.00 0.00 N ATOM 1148 CA ALA A 74 11.760 7.496 9.830 1.00 0.00 C ATOM 1149 C ALA A 74 10.722 8.324 10.591 1.00 0.00 C ATOM 1150 O ALA A 74 11.053 9.106 11.459 1.00 0.00 O ATOM 1151 CB ALA A 74 12.311 8.321 8.669 1.00 0.00 C ATOM 0 H ALA A 74 11.340 6.042 8.324 1.00 0.00 H new ATOM 0 HA ALA A 74 12.571 7.222 10.505 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.779 9.226 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.050 7.734 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.497 8.593 7.997 1.00 0.00 H new ATOM 1157 N ASP A 75 9.470 8.157 10.263 1.00 0.00 N ATOM 1158 CA ASP A 75 8.397 8.929 10.955 1.00 0.00 C ATOM 1159 C ASP A 75 8.653 8.940 12.465 1.00 0.00 C ATOM 1160 O ASP A 75 9.341 9.801 12.978 1.00 0.00 O ATOM 1161 CB ASP A 75 7.040 8.278 10.672 1.00 0.00 C ATOM 1162 CG ASP A 75 5.941 9.050 11.404 1.00 0.00 C ATOM 1163 OD1 ASP A 75 5.708 8.753 12.564 1.00 0.00 O ATOM 1164 OD2 ASP A 75 5.351 9.925 10.792 1.00 0.00 O ATOM 0 H ASP A 75 9.142 7.515 9.541 1.00 0.00 H new ATOM 0 HA ASP A 75 8.397 9.954 10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.843 8.273 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.048 7.238 10.999 1.00 0.00 H new ATOM 1169 N GLY A 76 8.105 7.997 13.181 1.00 0.00 N ATOM 1170 CA GLY A 76 8.320 7.966 14.655 1.00 0.00 C ATOM 1171 C GLY A 76 7.914 6.599 15.209 1.00 0.00 C ATOM 1172 O GLY A 76 8.125 5.577 14.586 1.00 0.00 O ATOM 0 H GLY A 76 7.519 7.249 12.810 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.367 8.165 14.883 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.735 8.751 15.134 1.00 0.00 H new ATOM 1176 N ALA A 77 7.333 6.573 16.378 1.00 0.00 N ATOM 1177 CA ALA A 77 6.914 5.275 16.976 1.00 0.00 C ATOM 1178 C ALA A 77 5.761 4.681 16.163 1.00 0.00 C ATOM 1179 O ALA A 77 5.259 3.617 16.470 1.00 0.00 O ATOM 1180 CB ALA A 77 6.456 5.505 18.418 1.00 0.00 C ATOM 0 H ALA A 77 7.131 7.397 16.945 1.00 0.00 H new ATOM 0 HA ALA A 77 7.756 4.583 16.966 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.149 4.556 18.858 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.278 5.925 18.998 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.615 6.198 18.426 1.00 0.00 H new ATOM 1186 N MET A 78 5.338 5.356 15.131 1.00 0.00 N ATOM 1187 CA MET A 78 4.218 4.824 14.302 1.00 0.00 C ATOM 1188 C MET A 78 4.785 3.953 13.182 1.00 0.00 C ATOM 1189 O MET A 78 4.072 3.520 12.299 1.00 0.00 O ATOM 1190 CB MET A 78 3.435 5.988 13.693 1.00 0.00 C ATOM 1191 CG MET A 78 2.979 6.937 14.803 1.00 0.00 C ATOM 1192 SD MET A 78 3.672 8.583 14.511 1.00 0.00 S ATOM 1193 CE MET A 78 2.609 9.484 15.665 1.00 0.00 C ATOM 0 H MET A 78 5.718 6.252 14.825 1.00 0.00 H new ATOM 0 HA MET A 78 3.554 4.228 14.928 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.058 6.523 12.977 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.571 5.611 13.145 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.890 6.988 14.828 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.303 6.561 15.774 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.868 10.543 15.647 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.567 9.360 15.372 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.751 9.092 16.672 1.00 0.00 H new ATOM 1203 N SER A 79 6.064 3.694 13.209 1.00 0.00 N ATOM 1204 CA SER A 79 6.675 2.853 12.142 1.00 0.00 C ATOM 1205 C SER A 79 6.194 3.344 10.776 1.00 0.00 C ATOM 1206 O SER A 79 6.203 4.527 10.499 1.00 0.00 O ATOM 1207 CB SER A 79 6.255 1.396 12.337 1.00 0.00 C ATOM 1208 OG SER A 79 7.040 0.564 11.492 1.00 0.00 O ATOM 0 H SER A 79 6.711 4.028 13.923 1.00 0.00 H new ATOM 0 HA SER A 79 7.761 2.926 12.196 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.387 1.104 13.379 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.197 1.276 12.104 1.00 0.00 H new ATOM 0 HG SER A 79 6.775 -0.371 11.616 1.00 0.00 H new ATOM 1214 N ALA A 80 5.774 2.442 9.927 1.00 0.00 N ATOM 1215 CA ALA A 80 5.285 2.842 8.575 1.00 0.00 C ATOM 1216 C ALA A 80 3.790 2.547 8.463 1.00 0.00 C ATOM 1217 O ALA A 80 3.216 2.611 7.393 1.00 0.00 O ATOM 1218 CB ALA A 80 6.035 2.048 7.509 1.00 0.00 C ATOM 0 H ALA A 80 5.749 1.440 10.114 1.00 0.00 H new ATOM 0 HA ALA A 80 5.458 3.908 8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.679 2.339 6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.103 2.254 7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.860 0.983 7.658 1.00 0.00 H new ATOM 1224 N LEU A 81 3.146 2.253 9.560 1.00 0.00 N ATOM 1225 CA LEU A 81 1.694 1.982 9.524 1.00 0.00 C ATOM 1226 C LEU A 81 1.417 0.898 8.453 1.00 0.00 C ATOM 1227 O LEU A 81 2.336 0.478 7.778 1.00 0.00 O ATOM 1228 CB LEU A 81 1.023 3.317 9.209 1.00 0.00 C ATOM 1229 CG LEU A 81 0.109 3.771 10.364 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.942 4.502 11.415 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -0.936 4.734 9.823 1.00 0.00 C ATOM 0 H LEU A 81 3.574 2.190 10.484 1.00 0.00 H new ATOM 0 HA LEU A 81 1.301 1.597 10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.785 4.075 9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.438 3.225 8.294 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.372 2.900 10.809 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.296 4.823 12.232 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.710 3.832 11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.415 5.373 10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.586 5.059 10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.440 5.601 9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.532 4.233 9.060 1.00 0.00 H new ATOM 1243 N PRO A 82 0.187 0.422 8.349 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.142 -0.655 7.391 1.00 0.00 C ATOM 1245 C PRO A 82 0.156 -0.288 5.937 1.00 0.00 C ATOM 1246 O PRO A 82 -0.039 0.829 5.485 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.639 -0.911 7.563 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.156 0.043 8.661 1.00 0.00 C ATOM 1249 CD PRO A 82 -0.968 0.893 9.147 1.00 0.00 C ATOM 0 HA PRO A 82 0.473 -1.531 7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.167 -0.737 6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.820 -1.949 7.842 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.947 0.682 8.269 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.584 -0.523 9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.151 1.956 8.988 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.794 0.755 10.214 1.00 0.00 H new ATOM 1257 N VAL A 83 0.592 -1.269 5.200 1.00 0.00 N ATOM 1258 CA VAL A 83 0.885 -1.083 3.759 1.00 0.00 C ATOM 1259 C VAL A 83 0.369 -2.303 3.027 1.00 0.00 C ATOM 1260 O VAL A 83 0.605 -3.418 3.450 1.00 0.00 O ATOM 1261 CB VAL A 83 2.397 -1.015 3.520 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.707 -1.471 2.081 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.910 0.413 3.703 1.00 0.00 C ATOM 0 H VAL A 83 0.760 -2.213 5.547 1.00 0.00 H new ATOM 0 HA VAL A 83 0.419 -0.160 3.413 1.00 0.00 H new ATOM 0 HB VAL A 83 2.890 -1.666 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.782 -1.424 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.362 -2.495 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.197 -0.817 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.986 0.438 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.412 1.073 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.699 0.748 4.719 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.286 -2.112 1.922 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.765 -3.278 1.145 1.00 0.00 C ATOM 1275 C LEU A 84 -0.027 -3.289 -0.186 1.00 0.00 C ATOM 1276 O LEU A 84 -0.589 -3.026 -1.228 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.280 -3.193 0.923 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.775 -4.452 0.198 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.511 -5.694 1.056 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.277 -4.326 -0.056 1.00 0.00 C ATOM 0 H LEU A 84 -0.510 -1.200 1.524 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.567 -4.200 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.791 -3.090 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.521 -2.307 0.336 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.242 -4.553 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.866 -6.581 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.441 -5.787 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.038 -5.599 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.635 -5.217 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.799 -4.222 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.469 -3.449 -0.673 1.00 0.00 H new ATOM 1292 N MET A 85 1.244 -3.579 -0.157 1.00 0.00 N ATOM 1293 CA MET A 85 2.010 -3.593 -1.422 1.00 0.00 C ATOM 1294 C MET A 85 1.342 -4.567 -2.382 1.00 0.00 C ATOM 1295 O MET A 85 0.635 -5.466 -1.973 1.00 0.00 O ATOM 1296 CB MET A 85 3.462 -4.013 -1.161 1.00 0.00 C ATOM 1297 CG MET A 85 3.515 -5.479 -0.724 1.00 0.00 C ATOM 1298 SD MET A 85 5.194 -5.887 -0.184 1.00 0.00 S ATOM 1299 CE MET A 85 5.514 -7.182 -1.408 1.00 0.00 C ATOM 0 H MET A 85 1.777 -3.804 0.683 1.00 0.00 H new ATOM 0 HA MET A 85 2.021 -2.594 -1.858 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.057 -3.873 -2.063 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.899 -3.379 -0.389 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.808 -5.654 0.087 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.219 -6.127 -1.549 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.516 -7.584 -1.259 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.781 -7.981 -1.293 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.437 -6.762 -2.411 1.00 0.00 H new ATOM 1309 N VAL A 86 1.549 -4.380 -3.654 1.00 0.00 N ATOM 1310 CA VAL A 86 0.916 -5.272 -4.662 1.00 0.00 C ATOM 1311 C VAL A 86 2.001 -5.961 -5.490 1.00 0.00 C ATOM 1312 O VAL A 86 2.977 -5.346 -5.872 1.00 0.00 O ATOM 1313 CB VAL A 86 0.038 -4.414 -5.566 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.739 -5.313 -6.519 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.937 -3.608 -4.702 1.00 0.00 C ATOM 0 H VAL A 86 2.135 -3.641 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 86 0.315 -6.037 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 86 0.660 -3.731 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.367 -4.701 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.041 -5.887 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.366 -5.996 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.568 -2.992 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.562 -4.290 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.376 -2.967 -4.022 1.00 0.00 H new ATOM 1325 N THR A 87 1.848 -7.232 -5.771 1.00 0.00 N ATOM 1326 CA THR A 87 2.898 -7.932 -6.577 1.00 0.00 C ATOM 1327 C THR A 87 2.265 -9.006 -7.462 1.00 0.00 C ATOM 1328 O THR A 87 1.066 -9.202 -7.460 1.00 0.00 O ATOM 1329 CB THR A 87 3.919 -8.584 -5.641 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.880 -9.291 -6.413 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.205 -9.553 -4.701 1.00 0.00 C ATOM 0 H THR A 87 1.056 -7.807 -5.483 1.00 0.00 H new ATOM 0 HA THR A 87 3.396 -7.198 -7.211 1.00 0.00 H new ATOM 0 HB THR A 87 4.419 -7.814 -5.053 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.661 -10.246 -6.413 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.933 -10.017 -4.035 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.467 -9.010 -4.110 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.705 -10.325 -5.286 1.00 0.00 H new ATOM 1339 N ALA A 88 3.077 -9.696 -8.225 1.00 0.00 N ATOM 1340 CA ALA A 88 2.554 -10.762 -9.130 1.00 0.00 C ATOM 1341 C ALA A 88 3.372 -12.044 -8.941 1.00 0.00 C ATOM 1342 O ALA A 88 2.889 -13.134 -9.179 1.00 0.00 O ATOM 1343 CB ALA A 88 2.676 -10.298 -10.583 1.00 0.00 C ATOM 0 H ALA A 88 4.088 -9.564 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 88 1.509 -10.958 -8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.295 -11.075 -11.246 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.097 -9.385 -10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.723 -10.104 -10.816 1.00 0.00 H new ATOM 1349 N GLU A 89 4.606 -11.917 -8.519 1.00 0.00 N ATOM 1350 CA GLU A 89 5.470 -13.120 -8.316 1.00 0.00 C ATOM 1351 C GLU A 89 5.863 -13.232 -6.840 1.00 0.00 C ATOM 1352 O GLU A 89 7.027 -13.193 -6.495 1.00 0.00 O ATOM 1353 CB GLU A 89 6.736 -12.986 -9.165 1.00 0.00 C ATOM 1354 CG GLU A 89 7.362 -14.366 -9.374 1.00 0.00 C ATOM 1355 CD GLU A 89 6.573 -15.131 -10.438 1.00 0.00 C ATOM 1356 OE1 GLU A 89 5.594 -14.589 -10.924 1.00 0.00 O ATOM 1357 OE2 GLU A 89 6.961 -16.245 -10.749 1.00 0.00 O ATOM 0 H GLU A 89 5.054 -11.026 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 89 4.919 -14.012 -8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.494 -12.536 -10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.448 -12.323 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.402 -14.262 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.362 -14.922 -8.437 1.00 0.00 H new ATOM 1364 N ALA A 90 4.903 -13.378 -5.967 1.00 0.00 N ATOM 1365 CA ALA A 90 5.231 -13.499 -4.517 1.00 0.00 C ATOM 1366 C ALA A 90 6.082 -14.752 -4.297 1.00 0.00 C ATOM 1367 O ALA A 90 5.605 -15.864 -4.405 1.00 0.00 O ATOM 1368 CB ALA A 90 3.937 -13.612 -3.708 1.00 0.00 C ATOM 0 H ALA A 90 3.909 -13.419 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 90 5.784 -12.618 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.177 -13.700 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.328 -12.722 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.383 -14.494 -4.029 1.00 0.00 H new ATOM 1374 N LYS A 91 7.341 -14.582 -3.998 1.00 0.00 N ATOM 1375 CA LYS A 91 8.220 -15.765 -3.782 1.00 0.00 C ATOM 1376 C LYS A 91 7.978 -16.343 -2.383 1.00 0.00 C ATOM 1377 O LYS A 91 7.278 -17.323 -2.225 1.00 0.00 O ATOM 1378 CB LYS A 91 9.687 -15.344 -3.931 1.00 0.00 C ATOM 1379 CG LYS A 91 10.556 -16.586 -4.143 1.00 0.00 C ATOM 1380 CD LYS A 91 12.013 -16.163 -4.342 1.00 0.00 C ATOM 1381 CE LYS A 91 12.273 -15.886 -5.824 1.00 0.00 C ATOM 1382 NZ LYS A 91 13.345 -14.858 -5.956 1.00 0.00 N ATOM 0 H LYS A 91 7.798 -13.676 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 91 7.989 -16.530 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.797 -14.662 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.014 -14.806 -3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.474 -17.251 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.206 -17.143 -5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.226 -15.271 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.681 -16.947 -3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.571 -16.804 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.359 -15.538 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.523 -14.669 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.044 -13.980 -5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.217 -15.207 -5.510 1.00 0.00 H new ATOM 1396 N LYS A 92 8.548 -15.750 -1.367 1.00 0.00 N ATOM 1397 CA LYS A 92 8.343 -16.276 0.013 1.00 0.00 C ATOM 1398 C LYS A 92 8.998 -15.331 1.024 1.00 0.00 C ATOM 1399 O LYS A 92 8.374 -14.421 1.530 1.00 0.00 O ATOM 1400 CB LYS A 92 8.979 -17.663 0.133 1.00 0.00 C ATOM 1401 CG LYS A 92 8.966 -18.107 1.597 1.00 0.00 C ATOM 1402 CD LYS A 92 8.817 -19.628 1.667 1.00 0.00 C ATOM 1403 CE LYS A 92 9.350 -20.131 3.010 1.00 0.00 C ATOM 1404 NZ LYS A 92 9.216 -19.056 4.033 1.00 0.00 N ATOM 0 H LYS A 92 9.145 -14.926 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 92 7.274 -16.346 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.432 -18.379 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.002 -17.639 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.888 -17.798 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.144 -17.626 2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.770 -19.907 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.364 -20.096 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.798 -21.017 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.395 -20.425 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.249 -19.476 4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.996 -18.377 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.309 -18.564 3.903 1.00 0.00 H new ATOM 1418 N GLU A 93 10.249 -15.547 1.326 1.00 0.00 N ATOM 1419 CA GLU A 93 10.941 -14.667 2.306 1.00 0.00 C ATOM 1420 C GLU A 93 10.776 -13.203 1.890 1.00 0.00 C ATOM 1421 O GLU A 93 10.704 -12.318 2.719 1.00 0.00 O ATOM 1422 CB GLU A 93 12.432 -15.017 2.356 1.00 0.00 C ATOM 1423 CG GLU A 93 12.711 -16.230 1.467 1.00 0.00 C ATOM 1424 CD GLU A 93 14.191 -16.602 1.563 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.585 -17.129 2.590 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.908 -16.354 0.606 1.00 0.00 O ATOM 0 H GLU A 93 10.821 -16.296 0.935 1.00 0.00 H new ATOM 0 HA GLU A 93 10.501 -14.817 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.026 -14.166 2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.730 -15.231 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.092 -17.072 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.448 -16.005 0.433 1.00 0.00 H new ATOM 1433 N ASN A 94 10.716 -12.941 0.613 1.00 0.00 N ATOM 1434 CA ASN A 94 10.556 -11.534 0.147 1.00 0.00 C ATOM 1435 C ASN A 94 9.325 -10.918 0.811 1.00 0.00 C ATOM 1436 O ASN A 94 9.235 -9.718 0.982 1.00 0.00 O ATOM 1437 CB ASN A 94 10.377 -11.518 -1.374 1.00 0.00 C ATOM 1438 CG ASN A 94 9.937 -10.124 -1.824 1.00 0.00 C ATOM 1439 OD1 ASN A 94 8.745 -9.695 -1.509 1.00 0.00 O flip ATOM 1440 ND2 ASN A 94 10.685 -9.420 -2.473 1.00 0.00 N flip ATOM 0 H ASN A 94 10.771 -13.640 -0.128 1.00 0.00 H new ATOM 0 HA ASN A 94 11.442 -10.958 0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.312 -11.791 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.634 -12.258 -1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.616 -9.756 -2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.382 -8.493 -2.772 1.00 0.00 H new ATOM 1447 N ILE A 95 8.378 -11.730 1.186 1.00 0.00 N ATOM 1448 CA ILE A 95 7.151 -11.194 1.838 1.00 0.00 C ATOM 1449 C ILE A 95 7.406 -11.033 3.340 1.00 0.00 C ATOM 1450 O ILE A 95 6.691 -10.334 4.029 1.00 0.00 O ATOM 1451 CB ILE A 95 5.986 -12.163 1.618 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.766 -12.380 0.117 1.00 0.00 C ATOM 1453 CG2 ILE A 95 4.712 -11.579 2.232 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.025 -13.701 -0.103 1.00 0.00 C ATOM 0 H ILE A 95 8.400 -12.743 1.069 1.00 0.00 H new ATOM 0 HA ILE A 95 6.901 -10.226 1.403 1.00 0.00 H new ATOM 0 HB ILE A 95 6.221 -13.116 2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.191 -11.554 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.724 -12.397 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.883 -12.269 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.860 -11.427 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.484 -10.624 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.868 -13.857 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.618 -14.522 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.061 -13.666 0.404 1.00 0.00 H new ATOM 1466 N ILE A 96 8.423 -11.675 3.853 1.00 0.00 N ATOM 1467 CA ILE A 96 8.720 -11.556 5.309 1.00 0.00 C ATOM 1468 C ILE A 96 9.525 -10.285 5.568 1.00 0.00 C ATOM 1469 O ILE A 96 9.081 -9.390 6.258 1.00 0.00 O ATOM 1470 CB ILE A 96 9.525 -12.772 5.774 1.00 0.00 C ATOM 1471 CG1 ILE A 96 8.614 -14.003 5.794 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.070 -12.514 7.181 1.00 0.00 C ATOM 1473 CD1 ILE A 96 9.455 -15.262 6.016 1.00 0.00 C ATOM 0 H ILE A 96 9.059 -12.275 3.327 1.00 0.00 H new ATOM 0 HA ILE A 96 7.782 -11.510 5.862 1.00 0.00 H new ATOM 0 HB ILE A 96 10.356 -12.945 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.872 -13.905 6.586 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.069 -14.079 4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.644 -13.379 7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.715 -11.635 7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.240 -12.343 7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.804 -16.136 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.180 -15.362 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.980 -15.186 6.968 1.00 0.00 H new ATOM 1485 N ALA A 97 10.706 -10.200 5.019 1.00 0.00 N ATOM 1486 CA ALA A 97 11.543 -8.983 5.230 1.00 0.00 C ATOM 1487 C ALA A 97 10.674 -7.747 5.032 1.00 0.00 C ATOM 1488 O ALA A 97 10.585 -6.889 5.886 1.00 0.00 O ATOM 1489 CB ALA A 97 12.694 -8.968 4.222 1.00 0.00 C ATOM 0 H ALA A 97 11.128 -10.920 4.433 1.00 0.00 H new ATOM 0 HA ALA A 97 11.954 -8.989 6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.303 -8.078 4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.309 -9.857 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.291 -8.958 3.209 1.00 0.00 H new ATOM 1495 N ALA A 98 10.024 -7.657 3.912 1.00 0.00 N ATOM 1496 CA ALA A 98 9.146 -6.490 3.654 1.00 0.00 C ATOM 1497 C ALA A 98 8.252 -6.245 4.875 1.00 0.00 C ATOM 1498 O ALA A 98 8.178 -5.147 5.392 1.00 0.00 O ATOM 1499 CB ALA A 98 8.272 -6.784 2.432 1.00 0.00 C ATOM 0 H ALA A 98 10.063 -8.345 3.160 1.00 0.00 H new ATOM 0 HA ALA A 98 9.754 -5.604 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.623 -5.931 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.908 -6.964 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.662 -7.667 2.625 1.00 0.00 H new ATOM 1505 N ALA A 99 7.562 -7.256 5.330 1.00 0.00 N ATOM 1506 CA ALA A 99 6.660 -7.083 6.502 1.00 0.00 C ATOM 1507 C ALA A 99 7.431 -6.508 7.695 1.00 0.00 C ATOM 1508 O ALA A 99 6.926 -5.680 8.427 1.00 0.00 O ATOM 1509 CB ALA A 99 6.067 -8.440 6.890 1.00 0.00 C ATOM 0 H ALA A 99 7.585 -8.197 4.938 1.00 0.00 H new ATOM 0 HA ALA A 99 5.863 -6.390 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.406 -8.316 7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.500 -8.843 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.872 -9.128 7.148 1.00 0.00 H new ATOM 1515 N GLN A 100 8.642 -6.944 7.907 1.00 0.00 N ATOM 1516 CA GLN A 100 9.428 -6.426 9.064 1.00 0.00 C ATOM 1517 C GLN A 100 9.584 -4.907 8.952 1.00 0.00 C ATOM 1518 O GLN A 100 9.910 -4.238 9.913 1.00 0.00 O ATOM 1519 CB GLN A 100 10.811 -7.081 9.077 1.00 0.00 C ATOM 1520 CG GLN A 100 10.838 -8.199 10.121 1.00 0.00 C ATOM 1521 CD GLN A 100 12.193 -8.908 10.076 1.00 0.00 C ATOM 1522 OE1 GLN A 100 12.972 -8.737 9.044 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 12.548 -9.623 10.992 1.00 0.00 N flip ATOM 0 H GLN A 100 9.121 -7.636 7.331 1.00 0.00 H new ATOM 0 HA GLN A 100 8.902 -6.664 9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.043 -7.484 8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.575 -6.338 9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.664 -7.787 11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.036 -8.912 9.927 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.939 -9.757 11.799 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.455 -10.089 10.953 1.00 0.00 H new ATOM 1532 N ALA A 101 9.356 -4.359 7.789 1.00 0.00 N ATOM 1533 CA ALA A 101 9.495 -2.880 7.617 1.00 0.00 C ATOM 1534 C ALA A 101 8.119 -2.212 7.717 1.00 0.00 C ATOM 1535 O ALA A 101 7.987 -1.114 8.219 1.00 0.00 O ATOM 1536 CB ALA A 101 10.110 -2.588 6.246 1.00 0.00 C ATOM 0 H ALA A 101 9.080 -4.869 6.950 1.00 0.00 H new ATOM 0 HA ALA A 101 10.140 -2.483 8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.213 -1.511 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.092 -3.057 6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.464 -2.988 5.465 1.00 0.00 H new ATOM 1542 N GLY A 102 7.096 -2.865 7.240 1.00 0.00 N ATOM 1543 CA GLY A 102 5.732 -2.278 7.299 1.00 0.00 C ATOM 1544 C GLY A 102 4.891 -2.826 6.145 1.00 0.00 C ATOM 1545 O GLY A 102 3.684 -2.712 6.136 1.00 0.00 O ATOM 0 H GLY A 102 7.149 -3.788 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.262 -2.519 8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.789 -1.191 7.237 1.00 0.00 H new ATOM 1549 N ALA A 103 5.530 -3.458 5.195 1.00 0.00 N ATOM 1550 CA ALA A 103 4.811 -4.075 4.034 1.00 0.00 C ATOM 1551 C ALA A 103 3.795 -5.105 4.538 1.00 0.00 C ATOM 1552 O ALA A 103 3.274 -5.902 3.785 1.00 0.00 O ATOM 1553 CB ALA A 103 5.824 -4.752 3.120 1.00 0.00 C ATOM 0 H ALA A 103 6.543 -3.576 5.173 1.00 0.00 H new ATOM 0 HA ALA A 103 4.281 -3.300 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.306 -5.203 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.538 -4.012 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.354 -5.526 3.675 1.00 0.00 H new ATOM 1559 N SER A 104 3.572 -5.107 5.822 1.00 0.00 N ATOM 1560 CA SER A 104 2.650 -6.091 6.479 1.00 0.00 C ATOM 1561 C SER A 104 1.529 -6.544 5.542 1.00 0.00 C ATOM 1562 O SER A 104 1.116 -7.687 5.588 1.00 0.00 O ATOM 1563 CB SER A 104 2.010 -5.425 7.702 1.00 0.00 C ATOM 1564 OG SER A 104 2.682 -5.858 8.879 1.00 0.00 O ATOM 0 H SER A 104 4.003 -4.447 6.469 1.00 0.00 H new ATOM 0 HA SER A 104 3.239 -6.965 6.757 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.071 -4.340 7.613 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.952 -5.682 7.758 1.00 0.00 H new ATOM 0 HG SER A 104 2.276 -5.432 9.663 1.00 0.00 H new ATOM 1570 N GLY A 105 1.032 -5.686 4.696 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.058 -6.111 3.774 1.00 0.00 C ATOM 1572 C GLY A 105 0.533 -6.456 2.405 1.00 0.00 C ATOM 1573 O GLY A 105 1.239 -5.669 1.809 1.00 0.00 O ATOM 0 H GLY A 105 1.331 -4.715 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.579 -6.976 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.794 -5.314 3.673 1.00 0.00 H new ATOM 1577 N TYR A 106 0.240 -7.624 1.902 1.00 0.00 N ATOM 1578 CA TYR A 106 0.763 -8.023 0.563 1.00 0.00 C ATOM 1579 C TYR A 106 -0.336 -8.754 -0.187 1.00 0.00 C ATOM 1580 O TYR A 106 -0.751 -9.834 0.187 1.00 0.00 O ATOM 1581 CB TYR A 106 1.980 -8.942 0.704 1.00 0.00 C ATOM 1582 CG TYR A 106 1.795 -10.187 -0.150 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.824 -10.107 -1.554 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.606 -11.430 0.467 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.667 -11.270 -2.323 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.447 -12.585 -0.303 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.478 -12.507 -1.696 1.00 0.00 C ATOM 1588 OH TYR A 106 1.326 -13.651 -2.453 1.00 0.00 O ATOM 0 H TYR A 106 -0.342 -8.323 2.363 1.00 0.00 H new ATOM 0 HA TYR A 106 1.070 -7.130 0.019 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.883 -8.413 0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.114 -9.224 1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.967 -9.153 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.583 -11.496 1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.692 -11.211 -3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.300 -13.539 0.181 1.00 0.00 H new ATOM 0 HH TYR A 106 1.206 -14.422 -1.860 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.810 -8.163 -1.241 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.883 -8.797 -2.042 1.00 0.00 C ATOM 1600 C VAL A 107 -1.344 -9.099 -3.427 1.00 0.00 C ATOM 1601 O VAL A 107 -0.843 -8.229 -4.116 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.058 -7.832 -2.171 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.596 -6.587 -2.937 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.192 -8.517 -2.942 1.00 0.00 C ATOM 0 H VAL A 107 -0.495 -7.256 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.213 -9.715 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.415 -7.544 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.429 -5.890 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.783 -6.106 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.248 -6.878 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.034 -7.831 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.839 -8.798 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.510 -9.410 -2.404 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.453 -10.311 -3.864 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.961 -10.615 -5.220 1.00 0.00 C ATOM 1616 C VAL A 108 -1.784 -9.750 -6.182 1.00 0.00 C ATOM 1617 O VAL A 108 -2.439 -8.818 -5.767 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.164 -12.109 -5.527 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -0.526 -12.470 -6.871 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.511 -12.955 -4.431 1.00 0.00 C ATOM 0 H VAL A 108 -1.856 -11.094 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 108 0.103 -10.402 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.235 -12.309 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.679 -13.530 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.987 -11.880 -7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.543 -12.258 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.657 -14.012 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.556 -12.737 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.967 -12.719 -3.469 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.771 -10.032 -7.445 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.574 -9.200 -8.390 1.00 0.00 C ATOM 1632 C LYS A 109 -2.695 -9.951 -9.731 1.00 0.00 C ATOM 1633 O LYS A 109 -1.844 -10.762 -10.035 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.856 -7.854 -8.581 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.991 -7.877 -9.847 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.050 -6.671 -9.838 1.00 0.00 C ATOM 1637 CE LYS A 109 0.536 -6.471 -11.236 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.300 -7.687 -11.631 1.00 0.00 N ATOM 0 H LYS A 109 -1.245 -10.796 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.575 -9.018 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.590 -7.051 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.233 -7.642 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.415 -8.802 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.624 -7.853 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.591 -5.777 -9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.751 -6.827 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.262 -6.281 -11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.189 -5.598 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.713 -7.546 -12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.060 -7.858 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.661 -8.507 -11.652 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.715 -9.662 -10.520 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.787 -8.682 -10.208 1.00 0.00 C ATOM 1654 C PRO A 110 -5.750 -9.243 -9.153 1.00 0.00 C ATOM 1655 O PRO A 110 -5.754 -10.423 -8.865 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.552 -8.513 -11.528 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.900 -9.448 -12.576 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.840 -10.288 -11.847 1.00 0.00 C ATOM 0 HA PRO A 110 -4.376 -7.751 -9.819 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.604 -8.764 -11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.511 -7.477 -11.863 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.650 -10.092 -13.035 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.444 -8.867 -13.378 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.148 -11.330 -11.766 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.890 -10.277 -12.381 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.577 -8.403 -8.589 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.554 -8.878 -7.568 1.00 0.00 C ATOM 1668 C PHE A 111 -8.850 -8.107 -7.715 1.00 0.00 C ATOM 1669 O PHE A 111 -8.886 -7.023 -8.264 1.00 0.00 O ATOM 1670 CB PHE A 111 -7.030 -8.613 -6.152 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.516 -7.198 -6.072 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.408 -6.117 -5.975 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.147 -6.968 -6.130 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.905 -4.812 -5.938 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.645 -5.666 -6.099 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.525 -4.584 -6.004 1.00 0.00 C ATOM 0 H PHE A 111 -6.617 -7.404 -8.793 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.705 -9.947 -7.720 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.825 -8.766 -5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.234 -9.316 -5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.473 -6.292 -5.929 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.466 -7.803 -6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.584 -3.976 -5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.580 -5.495 -6.148 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.141 -3.575 -5.982 1.00 0.00 H new ATOM 1686 N THR A 112 -9.894 -8.634 -7.162 1.00 0.00 N ATOM 1687 CA THR A 112 -11.192 -7.916 -7.185 1.00 0.00 C ATOM 1688 C THR A 112 -11.359 -7.310 -5.804 1.00 0.00 C ATOM 1689 O THR A 112 -10.593 -7.595 -4.905 1.00 0.00 O ATOM 1690 CB THR A 112 -12.346 -8.879 -7.469 1.00 0.00 C ATOM 1691 OG1 THR A 112 -13.541 -8.356 -6.906 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.045 -10.243 -6.852 1.00 0.00 C ATOM 0 H THR A 112 -9.908 -9.538 -6.690 1.00 0.00 H new ATOM 0 HA THR A 112 -11.203 -7.159 -7.969 1.00 0.00 H new ATOM 0 HB THR A 112 -12.467 -8.993 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 112 -14.284 -8.969 -7.087 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.870 -10.925 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.127 -10.643 -7.284 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.922 -10.136 -5.774 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.329 -6.486 -5.603 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.484 -5.898 -4.251 1.00 0.00 C ATOM 1702 C ALA A 113 -12.733 -7.023 -3.260 1.00 0.00 C ATOM 1703 O ALA A 113 -12.432 -6.905 -2.094 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.654 -4.912 -4.235 1.00 0.00 C ATOM 0 H ALA A 113 -13.015 -6.193 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.578 -5.357 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.758 -4.487 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.466 -4.113 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.573 -5.433 -4.505 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.265 -8.123 -3.717 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.515 -9.260 -2.793 1.00 0.00 C ATOM 1712 C ALA A 114 -12.178 -9.802 -2.293 1.00 0.00 C ATOM 1713 O ALA A 114 -12.002 -10.054 -1.118 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.281 -10.363 -3.526 1.00 0.00 C ATOM 0 H ALA A 114 -13.536 -8.282 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.110 -8.919 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.462 -11.195 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.234 -9.970 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.693 -10.711 -4.375 1.00 0.00 H new ATOM 1720 N THR A 115 -11.223 -9.970 -3.166 1.00 0.00 N ATOM 1721 CA THR A 115 -9.904 -10.476 -2.710 1.00 0.00 C ATOM 1722 C THR A 115 -9.274 -9.413 -1.811 1.00 0.00 C ATOM 1723 O THR A 115 -9.085 -9.635 -0.630 1.00 0.00 O ATOM 1724 CB THR A 115 -9.002 -10.756 -3.912 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.601 -10.223 -5.081 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.822 -12.266 -4.073 1.00 0.00 C ATOM 0 H THR A 115 -11.300 -9.780 -4.165 1.00 0.00 H new ATOM 0 HA THR A 115 -10.028 -11.408 -2.158 1.00 0.00 H new ATOM 0 HB THR A 115 -8.029 -10.290 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.808 -9.276 -4.940 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.179 -12.466 -4.930 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.365 -12.676 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.794 -12.733 -4.232 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.957 -8.250 -2.337 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.364 -7.204 -1.461 1.00 0.00 C ATOM 1736 C LEU A 116 -9.191 -7.075 -0.172 1.00 0.00 C ATOM 1737 O LEU A 116 -8.652 -6.850 0.893 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.361 -5.866 -2.198 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.043 -5.132 -1.922 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.880 -5.882 -2.574 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.103 -3.715 -2.497 1.00 0.00 C ATOM 0 H LEU A 116 -9.083 -7.990 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.342 -7.485 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.481 -6.029 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.204 -5.257 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.891 -5.085 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.948 -5.354 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.821 -6.890 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.041 -5.937 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.163 -3.201 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.266 -3.766 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.922 -3.168 -2.031 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.492 -7.214 -0.250 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.322 -7.096 0.977 1.00 0.00 C ATOM 1755 C GLU A 117 -10.889 -8.144 2.002 1.00 0.00 C ATOM 1756 O GLU A 117 -10.384 -7.829 3.061 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.790 -7.345 0.625 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.459 -6.047 0.159 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.219 -5.421 1.330 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.277 -5.929 1.662 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -13.730 -4.446 1.874 1.00 0.00 O ATOM 0 H GLU A 117 -11.008 -7.403 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.195 -6.096 1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.859 -8.098 -0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.316 -7.740 1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.708 -5.351 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.142 -6.252 -0.665 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.106 -9.389 1.693 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.738 -10.481 2.639 1.00 0.00 C ATOM 1770 C GLU A 118 -9.335 -10.250 3.206 1.00 0.00 C ATOM 1771 O GLU A 118 -9.012 -10.715 4.281 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.773 -11.821 1.901 1.00 0.00 C ATOM 1773 CG GLU A 118 -12.217 -12.152 1.513 1.00 0.00 C ATOM 1774 CD GLU A 118 -12.291 -13.591 0.998 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -11.984 -14.490 1.764 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.654 -13.769 -0.153 1.00 0.00 O ATOM 0 H GLU A 118 -11.526 -9.702 0.818 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.452 -10.489 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.147 -11.774 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.366 -12.608 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -12.873 -12.029 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.566 -11.461 0.745 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.494 -9.549 2.497 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.116 -9.316 3.016 1.00 0.00 C ATOM 1785 C LYS A 119 -7.094 -8.086 3.927 1.00 0.00 C ATOM 1786 O LYS A 119 -6.503 -8.104 4.989 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.154 -9.115 1.845 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.286 -10.367 1.696 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.387 -10.239 0.465 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.959 -11.633 0.001 1.00 0.00 C ATOM 1791 NZ LYS A 119 -3.980 -12.573 1.157 1.00 0.00 N ATOM 0 H LYS A 119 -8.698 -9.131 1.589 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.803 -10.185 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.711 -8.931 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.527 -8.240 2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.676 -10.505 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.919 -11.249 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.919 -9.725 -0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.510 -9.637 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.629 -11.988 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.959 -11.593 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.387 -13.400 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.611 -12.092 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.957 -12.884 1.334 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.729 -7.017 3.530 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.728 -5.801 4.392 1.00 0.00 C ATOM 1807 C LEU A 120 -8.340 -6.141 5.753 1.00 0.00 C ATOM 1808 O LEU A 120 -7.838 -5.742 6.785 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.548 -4.692 3.726 1.00 0.00 C ATOM 1810 CG LEU A 120 -7.775 -3.372 3.799 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.614 -2.251 3.185 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -7.473 -3.033 5.262 1.00 0.00 C ATOM 0 H LEU A 120 -8.244 -6.933 2.654 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.703 -5.457 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.752 -4.950 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.512 -4.589 4.224 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.841 -3.473 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.062 -1.313 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.830 -2.487 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.550 -2.153 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.923 -2.093 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -8.408 -2.936 5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.873 -3.829 5.703 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.417 -6.877 5.765 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.052 -7.241 7.063 1.00 0.00 C ATOM 1826 C ASN A 121 -9.097 -8.127 7.861 1.00 0.00 C ATOM 1827 O ASN A 121 -8.955 -7.984 9.060 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.355 -8.000 6.802 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.370 -7.660 7.894 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.562 -6.507 8.225 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.032 -8.623 8.476 1.00 0.00 N ATOM 0 H ASN A 121 -9.884 -7.241 4.935 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.270 -6.335 7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.754 -7.733 5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.166 -9.073 6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.709 -8.407 9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.872 -9.592 8.199 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.439 -9.040 7.204 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.488 -9.936 7.919 1.00 0.00 C ATOM 1840 C LYS A 122 -6.445 -9.087 8.646 1.00 0.00 C ATOM 1841 O LYS A 122 -5.951 -9.454 9.693 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.792 -10.852 6.910 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.068 -12.312 7.271 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.437 -13.226 6.220 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.510 -14.142 5.627 1.00 0.00 C ATOM 1846 NZ LYS A 122 -6.870 -15.134 4.718 1.00 0.00 N ATOM 0 H LYS A 122 -8.519 -9.205 6.201 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.031 -10.544 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.152 -10.641 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.719 -10.663 6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.660 -12.537 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.142 -12.488 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.978 -12.629 5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.644 -13.822 6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.045 -14.657 6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -8.245 -13.552 5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.599 -15.757 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.378 -14.634 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.185 -15.705 5.254 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.110 -7.950 8.101 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.101 -7.075 8.762 1.00 0.00 C ATOM 1862 C ILE A 123 -5.800 -6.190 9.798 1.00 0.00 C ATOM 1863 O ILE A 123 -5.347 -6.053 10.917 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.416 -6.201 7.711 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.479 -7.077 6.867 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.612 -5.102 8.413 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.920 -6.277 5.685 1.00 0.00 C ATOM 0 H ILE A 123 -6.491 -7.589 7.227 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.351 -7.690 9.259 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.162 -5.740 7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.660 -7.445 7.485 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.019 -7.950 6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.122 -4.477 7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.282 -4.490 9.016 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.859 -5.557 9.056 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.258 -6.912 5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.742 -5.931 5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.362 -5.418 6.058 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.907 -5.597 9.438 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.638 -4.734 10.403 1.00 0.00 C ATOM 1881 C PHE A 124 -8.264 -5.604 11.485 1.00 0.00 C ATOM 1882 O PHE A 124 -9.015 -5.136 12.317 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.706 -3.923 9.659 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.111 -2.723 8.915 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.720 -2.439 8.887 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.989 -1.871 8.243 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.248 -1.325 8.194 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.507 -0.757 7.551 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.141 -0.486 7.527 1.00 0.00 C ATOM 0 H PHE A 124 -7.335 -5.675 8.515 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.948 -4.036 10.878 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.221 -4.570 8.948 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.454 -3.572 10.370 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -6.027 -3.087 9.403 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -10.050 -2.075 8.258 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.190 -1.111 8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.195 -0.105 7.034 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.772 0.376 6.991 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.910 -6.857 11.520 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.434 -7.736 12.592 1.00 0.00 C ATOM 1901 C GLU A 125 -7.539 -7.517 13.808 1.00 0.00 C ATOM 1902 O GLU A 125 -7.938 -7.696 14.941 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.378 -9.200 12.148 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.259 -10.106 13.376 1.00 0.00 C ATOM 1905 CD GLU A 125 -8.675 -11.529 12.999 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.171 -12.028 12.006 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.490 -12.095 13.709 1.00 0.00 O ATOM 0 H GLU A 125 -7.282 -7.307 10.854 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.473 -7.502 12.822 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.275 -9.453 11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.528 -9.357 11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.234 -10.101 13.747 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -8.892 -9.731 14.181 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.328 -7.090 13.559 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.382 -6.801 14.667 1.00 0.00 C ATOM 1916 C LYS A 126 -5.454 -5.301 14.950 1.00 0.00 C ATOM 1917 O LYS A 126 -5.286 -4.856 16.068 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.960 -7.181 14.243 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.003 -7.009 15.425 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.311 -8.342 15.722 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.231 -8.135 16.786 1.00 0.00 C ATOM 1922 NZ LYS A 126 -1.680 -7.096 17.757 1.00 0.00 N ATOM 0 H LYS A 126 -5.954 -6.929 12.624 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.642 -7.374 15.557 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.939 -8.213 13.893 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.640 -6.555 13.410 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.260 -6.245 15.197 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.551 -6.668 16.303 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.042 -9.073 16.069 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.866 -8.743 14.811 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.034 -9.072 17.306 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.297 -7.829 16.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.092 -7.144 18.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.587 -6.154 17.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.674 -7.264 18.010 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.729 -4.521 13.935 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.846 -3.050 14.129 1.00 0.00 C ATOM 1938 C LEU A 127 -7.154 -2.781 14.881 1.00 0.00 C ATOM 1939 O LEU A 127 -7.290 -1.802 15.587 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.860 -2.348 12.752 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.201 -0.962 12.836 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.877 -0.122 13.921 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.709 -1.104 13.157 1.00 0.00 C ATOM 0 H LEU A 127 -5.877 -4.844 12.979 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.002 -2.664 14.700 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.333 -2.962 12.021 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.887 -2.246 12.402 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.316 -0.465 11.872 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -5.402 0.858 13.971 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -6.934 -0.001 13.682 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.778 -0.623 14.884 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.253 -0.115 13.214 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.589 -1.614 14.113 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.222 -1.684 12.373 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.114 -3.663 14.751 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.405 -3.473 15.471 1.00 0.00 C ATOM 1957 C GLY A 128 -9.907 -2.045 15.269 1.00 0.00 C ATOM 1958 O GLY A 128 -9.614 -1.156 16.045 1.00 0.00 O ATOM 0 H GLY A 128 -8.057 -4.505 14.177 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.145 -4.183 15.103 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.272 -3.674 16.534 1.00 0.00 H new ATOM 1962 N MET A 129 -10.664 -1.822 14.230 1.00 0.00 N ATOM 1963 CA MET A 129 -11.197 -0.456 13.963 1.00 0.00 C ATOM 1964 C MET A 129 -12.639 -0.366 14.463 1.00 0.00 C ATOM 1965 O MET A 129 -13.160 0.736 14.514 1.00 0.00 O ATOM 1966 CB MET A 129 -11.162 -0.187 12.457 1.00 0.00 C ATOM 1967 CG MET A 129 -11.296 -1.509 11.697 1.00 0.00 C ATOM 1968 SD MET A 129 -12.781 -2.378 12.259 1.00 0.00 S ATOM 1969 CE MET A 129 -12.756 -3.699 11.023 1.00 0.00 C ATOM 1970 OXT MET A 129 -13.199 -1.401 14.788 1.00 0.00 O ATOM 0 H MET A 129 -10.938 -2.532 13.550 1.00 0.00 H new ATOM 0 HA MET A 129 -10.587 0.284 14.481 1.00 0.00 H new ATOM 0 HB2 MET A 129 -11.971 0.488 12.179 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.228 0.307 12.187 1.00 0.00 H new ATOM 0 HG2 MET A 129 -11.355 -1.320 10.625 1.00 0.00 H new ATOM 0 HG3 MET A 129 -10.414 -2.128 11.863 1.00 0.00 H new ATOM 0 HE1 MET A 129 -13.603 -4.366 11.186 1.00 0.00 H new ATOM 0 HE2 MET A 129 -12.823 -3.265 10.025 1.00 0.00 H new ATOM 0 HE3 MET A 129 -11.828 -4.263 11.112 1.00 0.00 H new