USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 12 HIS : no HE2:sc= -11.5! C(o=-15!,f=-18!) USER MOD Set 1.2: A 37 MET CE :methyl -145:sc= -3.76 (180deg=-5.89!) USER MOD Set 2.1: A 7 TYR OH : rot 15:sc= -1.73 USER MOD Set 2.2: A 65 MET CE :methyl 166:sc= -4.5! (180deg=-2.64!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -4.13! (180deg=-5.43!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -160:sc= -2.81! USER MOD Single : A 10 ASN : amide:sc= 1.17 K(o=1.2,f=-0.091) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -170:sc= 0.074 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 129:sc= 0.484 USER MOD Single : A 19 ASN : amide:sc= -0.0525 X(o=-0.053,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00822) USER MOD Single : A 25 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.676 F(o=-1.8,f=-0.68) USER MOD Single : A 35 ASN : amide:sc= -0.701 K(o=-0.7,f=-2.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= -0.279 (180deg=-0.309) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 60 GLN : amide:sc= -8.39! C(o=-8.4!,f=-10!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.8!) USER MOD Single : A 74 SER OG : rot -95:sc= -2.56 USER MOD Single : A 75 HIS : no HE2:sc= -1.83! C(o=-1.8!,f=-6.2!) USER MOD Single : A 81 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.711 -3.315 11.852 1.00 0.00 N ATOM 2 CA MET A 1 2.548 -3.239 10.925 1.00 0.00 C ATOM 3 C MET A 1 2.829 -2.386 9.704 1.00 0.00 C ATOM 4 O MET A 1 2.885 -1.161 9.784 1.00 0.00 O ATOM 5 CB MET A 1 1.358 -2.666 11.683 1.00 0.00 C ATOM 6 CG MET A 1 0.024 -2.873 10.989 1.00 0.00 C ATOM 7 SD MET A 1 -1.369 -2.322 11.992 1.00 0.00 S ATOM 8 CE MET A 1 -2.138 -3.888 12.394 1.00 0.00 C ATOM 0 H1 MET A 1 3.626 -4.164 12.447 1.00 0.00 H new ATOM 0 H2 MET A 1 4.592 -3.365 11.301 1.00 0.00 H new ATOM 0 H3 MET A 1 3.729 -2.469 12.457 1.00 0.00 H new ATOM 0 HA MET A 1 2.338 -4.247 10.568 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.316 -3.123 12.672 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.516 -1.598 11.832 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.023 -2.332 10.043 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.099 -3.930 10.752 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.018 -3.713 13.013 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.436 -4.394 11.475 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.429 -4.512 12.938 1.00 0.00 H new ATOM 20 N PHE A 2 2.967 -3.041 8.562 1.00 0.00 N ATOM 21 CA PHE A 2 3.211 -2.336 7.319 1.00 0.00 C ATOM 22 C PHE A 2 1.922 -1.714 6.810 1.00 0.00 C ATOM 23 O PHE A 2 0.840 -2.271 6.984 1.00 0.00 O ATOM 24 CB PHE A 2 3.806 -3.282 6.281 1.00 0.00 C ATOM 25 CG PHE A 2 5.208 -3.689 6.617 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.448 -4.767 7.453 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.285 -2.982 6.113 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.738 -5.136 7.776 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.577 -3.343 6.434 1.00 0.00 C ATOM 30 CZ PHE A 2 7.805 -4.422 7.266 1.00 0.00 C ATOM 0 H PHE A 2 2.914 -4.056 8.473 1.00 0.00 H new ATOM 0 HA PHE A 2 3.930 -1.537 7.500 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.181 -4.172 6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.795 -2.799 5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.616 -5.325 7.857 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.112 -2.138 5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.913 -5.981 8.426 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.410 -2.783 6.035 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.816 -4.707 7.517 1.00 0.00 H new ATOM 40 N LYS A 3 2.043 -0.546 6.205 1.00 0.00 N ATOM 41 CA LYS A 3 0.885 0.170 5.696 1.00 0.00 C ATOM 42 C LYS A 3 0.847 0.151 4.175 1.00 0.00 C ATOM 43 O LYS A 3 1.751 0.661 3.519 1.00 0.00 O ATOM 44 CB LYS A 3 0.918 1.613 6.197 1.00 0.00 C ATOM 45 CG LYS A 3 0.371 1.783 7.603 1.00 0.00 C ATOM 46 CD LYS A 3 1.492 1.826 8.630 1.00 0.00 C ATOM 47 CE LYS A 3 1.123 2.696 9.821 1.00 0.00 C ATOM 48 NZ LYS A 3 0.483 1.907 10.909 1.00 0.00 N ATOM 0 H LYS A 3 2.933 -0.072 6.054 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.014 -0.328 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.946 1.974 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.343 2.239 5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.213 2.702 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.306 0.960 7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.713 0.815 8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.399 2.211 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.019 3.184 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.444 3.485 9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.247 2.537 11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.386 1.462 10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.140 1.170 11.236 1.00 0.00 H new ATOM 62 N VAL A 4 -0.205 -0.430 3.614 1.00 0.00 N ATOM 63 CA VAL A 4 -0.346 -0.489 2.163 1.00 0.00 C ATOM 64 C VAL A 4 -1.382 0.511 1.674 1.00 0.00 C ATOM 65 O VAL A 4 -2.424 0.699 2.292 1.00 0.00 O ATOM 66 CB VAL A 4 -0.760 -1.897 1.668 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.142 -1.875 0.192 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.352 -2.898 1.888 1.00 0.00 C ATOM 0 H VAL A 4 -0.967 -0.864 4.135 1.00 0.00 H new ATOM 0 HA VAL A 4 0.635 -0.246 1.756 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.630 -2.200 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.428 -2.878 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.981 -1.195 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.291 -1.536 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.035 -3.878 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.240 -2.582 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.584 -2.956 2.951 1.00 0.00 H new ATOM 78 N TYR A 5 -1.101 1.114 0.532 1.00 0.00 N ATOM 79 CA TYR A 5 -2.019 2.058 -0.079 1.00 0.00 C ATOM 80 C TYR A 5 -2.384 1.559 -1.463 1.00 0.00 C ATOM 81 O TYR A 5 -1.620 1.722 -2.410 1.00 0.00 O ATOM 82 CB TYR A 5 -1.398 3.449 -0.177 1.00 0.00 C ATOM 83 CG TYR A 5 -1.318 4.181 1.143 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.571 3.670 2.193 1.00 0.00 C ATOM 85 CD2 TYR A 5 -1.971 5.394 1.330 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.477 4.345 3.394 1.00 0.00 C ATOM 87 CE2 TYR A 5 -1.878 6.077 2.529 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.129 5.549 3.556 1.00 0.00 C ATOM 89 OH TYR A 5 -1.035 6.224 4.752 1.00 0.00 O ATOM 0 H TYR A 5 -0.239 0.965 0.007 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.911 2.134 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.394 3.359 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.980 4.047 -0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.055 2.729 2.070 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.560 5.810 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.105 3.931 4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.390 7.019 2.659 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.552 7.055 4.700 1.00 0.00 H new ATOM 99 N GLY A 6 -3.541 0.928 -1.573 1.00 0.00 N ATOM 100 CA GLY A 6 -3.967 0.400 -2.841 1.00 0.00 C ATOM 101 C GLY A 6 -5.458 0.186 -2.887 1.00 0.00 C ATOM 102 O GLY A 6 -6.219 0.873 -2.205 1.00 0.00 O ATOM 0 H GLY A 6 -4.191 0.774 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.674 1.085 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.458 -0.545 -3.030 1.00 0.00 H new ATOM 106 N TYR A 7 -5.871 -0.768 -3.694 1.00 0.00 N ATOM 107 CA TYR A 7 -7.272 -1.086 -3.851 1.00 0.00 C ATOM 108 C TYR A 7 -7.644 -2.350 -3.080 1.00 0.00 C ATOM 109 O TYR A 7 -7.029 -3.401 -3.260 1.00 0.00 O ATOM 110 CB TYR A 7 -7.574 -1.249 -5.331 1.00 0.00 C ATOM 111 CG TYR A 7 -7.131 -0.053 -6.134 1.00 0.00 C ATOM 112 CD1 TYR A 7 -7.955 1.051 -6.286 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.875 -0.021 -6.722 1.00 0.00 C ATOM 114 CE1 TYR A 7 -7.544 2.151 -7.003 1.00 0.00 C ATOM 115 CE2 TYR A 7 -5.453 1.079 -7.440 1.00 0.00 C ATOM 116 CZ TYR A 7 -6.294 2.164 -7.577 1.00 0.00 C ATOM 117 OH TYR A 7 -5.884 3.264 -8.295 1.00 0.00 O ATOM 0 H TYR A 7 -5.246 -1.343 -4.258 1.00 0.00 H new ATOM 0 HA TYR A 7 -7.871 -0.273 -3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.075 -2.142 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.645 -1.401 -5.468 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.936 1.048 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.217 -0.871 -6.616 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.200 3.001 -7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.472 1.091 -7.891 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.479 4.019 -8.104 1.00 0.00 H new ATOM 127 N ASP A 8 -8.647 -2.238 -2.213 1.00 0.00 N ATOM 128 CA ASP A 8 -9.094 -3.375 -1.408 1.00 0.00 C ATOM 129 C ASP A 8 -10.618 -3.458 -1.348 1.00 0.00 C ATOM 130 O ASP A 8 -11.211 -3.299 -0.281 1.00 0.00 O ATOM 131 CB ASP A 8 -8.545 -3.275 0.016 1.00 0.00 C ATOM 132 CG ASP A 8 -8.344 -4.638 0.649 1.00 0.00 C ATOM 133 OD1 ASP A 8 -7.874 -5.557 -0.055 1.00 0.00 O ATOM 134 OD2 ASP A 8 -8.657 -4.787 1.849 1.00 0.00 O ATOM 0 H ASP A 8 -9.165 -1.375 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.713 -4.276 -1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.596 -2.740 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.231 -2.690 0.628 1.00 0.00 H new ATOM 139 N SER A 9 -11.255 -3.710 -2.485 1.00 0.00 N ATOM 140 CA SER A 9 -12.710 -3.814 -2.520 1.00 0.00 C ATOM 141 C SER A 9 -13.213 -4.220 -3.906 1.00 0.00 C ATOM 142 O SER A 9 -12.431 -4.564 -4.791 1.00 0.00 O ATOM 143 CB SER A 9 -13.355 -2.487 -2.096 1.00 0.00 C ATOM 144 OG SER A 9 -12.378 -1.492 -1.850 1.00 0.00 O ATOM 0 H SER A 9 -10.795 -3.845 -3.385 1.00 0.00 H new ATOM 0 HA SER A 9 -12.999 -4.594 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.035 -2.146 -2.876 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.953 -2.642 -1.198 1.00 0.00 H new ATOM 0 HG SER A 9 -12.765 -0.784 -1.293 1.00 0.00 H new ATOM 150 N ASN A 10 -14.528 -4.169 -4.072 1.00 0.00 N ATOM 151 CA ASN A 10 -15.175 -4.521 -5.331 1.00 0.00 C ATOM 152 C ASN A 10 -15.218 -3.325 -6.275 1.00 0.00 C ATOM 153 O ASN A 10 -15.679 -3.435 -7.413 1.00 0.00 O ATOM 154 CB ASN A 10 -16.596 -5.026 -5.072 1.00 0.00 C ATOM 155 CG ASN A 10 -17.014 -6.108 -6.049 1.00 0.00 C ATOM 156 OD1 ASN A 10 -17.295 -7.241 -5.657 1.00 0.00 O ATOM 157 ND2 ASN A 10 -17.061 -5.760 -7.331 1.00 0.00 N ATOM 0 H ASN A 10 -15.177 -3.883 -3.339 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.591 -5.313 -5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.661 -5.414 -4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.293 -4.191 -5.139 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.339 -6.444 -8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.820 -4.809 -7.611 1.00 0.00 H new ATOM 164 N ILE A 11 -14.731 -2.182 -5.804 1.00 0.00 N ATOM 165 CA ILE A 11 -14.714 -0.974 -6.611 1.00 0.00 C ATOM 166 C ILE A 11 -13.434 -0.903 -7.434 1.00 0.00 C ATOM 167 O ILE A 11 -13.314 -0.088 -8.350 1.00 0.00 O ATOM 168 CB ILE A 11 -14.833 0.308 -5.750 1.00 0.00 C ATOM 169 CG1 ILE A 11 -13.468 0.746 -5.217 1.00 0.00 C ATOM 170 CG2 ILE A 11 -15.803 0.107 -4.595 1.00 0.00 C ATOM 171 CD1 ILE A 11 -12.904 -0.170 -4.150 1.00 0.00 C ATOM 0 H ILE A 11 -14.343 -2.070 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.581 -1.023 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.221 1.096 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.764 0.797 -6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -13.554 1.753 -4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.866 1.024 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.789 -0.141 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.450 -0.706 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.935 0.207 -3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.587 -0.203 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.784 -1.174 -4.558 1.00 0.00 H new ATOM 183 N HIS A 12 -12.472 -1.751 -7.092 1.00 0.00 N ATOM 184 CA HIS A 12 -11.202 -1.760 -7.794 1.00 0.00 C ATOM 185 C HIS A 12 -10.410 -3.026 -7.472 1.00 0.00 C ATOM 186 O HIS A 12 -10.427 -3.514 -6.342 1.00 0.00 O ATOM 187 CB HIS A 12 -10.425 -0.500 -7.427 1.00 0.00 C ATOM 188 CG HIS A 12 -9.351 -0.123 -8.394 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.220 -0.862 -8.593 1.00 0.00 N ATOM 190 CD2 HIS A 12 -9.248 0.951 -9.212 1.00 0.00 C ATOM 191 CE1 HIS A 12 -7.474 -0.242 -9.514 1.00 0.00 C ATOM 192 NE2 HIS A 12 -8.053 0.867 -9.926 1.00 0.00 N ATOM 0 H HIS A 12 -12.549 -2.435 -6.339 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.378 -1.764 -8.870 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.126 0.330 -7.342 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.976 -0.640 -6.444 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.985 -1.735 -8.121 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.975 1.745 -9.298 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.522 -0.603 -9.873 1.00 0.00 H new ATOM 200 N LYS A 13 -9.746 -3.571 -8.484 1.00 0.00 N ATOM 201 CA LYS A 13 -8.977 -4.811 -8.328 1.00 0.00 C ATOM 202 C LYS A 13 -7.592 -4.599 -7.707 1.00 0.00 C ATOM 203 O LYS A 13 -7.157 -3.470 -7.474 1.00 0.00 O ATOM 204 CB LYS A 13 -8.829 -5.519 -9.676 1.00 0.00 C ATOM 205 CG LYS A 13 -8.814 -7.036 -9.558 1.00 0.00 C ATOM 206 CD LYS A 13 -9.292 -7.702 -10.836 1.00 0.00 C ATOM 207 CE LYS A 13 -8.120 -8.198 -11.670 1.00 0.00 C ATOM 208 NZ LYS A 13 -8.506 -8.454 -13.085 1.00 0.00 N ATOM 0 H LYS A 13 -9.721 -3.177 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.545 -5.431 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.650 -5.220 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.906 -5.189 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.803 -7.373 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.450 -7.343 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.947 -8.538 -10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.883 -6.995 -11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.318 -7.460 -11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.726 -9.115 -11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.677 -8.790 -13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.253 -9.177 -13.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.858 -7.574 -13.513 1.00 0.00 H new ATOM 222 N CYS A 14 -6.905 -5.722 -7.453 1.00 0.00 N ATOM 223 CA CYS A 14 -5.560 -5.721 -6.870 1.00 0.00 C ATOM 224 C CYS A 14 -5.008 -7.146 -6.765 1.00 0.00 C ATOM 225 O CYS A 14 -5.237 -7.836 -5.771 1.00 0.00 O ATOM 226 CB CYS A 14 -5.575 -5.080 -5.480 1.00 0.00 C ATOM 227 SG CYS A 14 -4.618 -3.550 -5.367 1.00 0.00 S ATOM 0 H CYS A 14 -7.268 -6.655 -7.647 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.915 -5.139 -7.528 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.607 -4.873 -5.198 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.184 -5.796 -4.757 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.514 -3.194 -4.121 1.00 0.00 H new ATOM 233 N VAL A 15 -4.271 -7.580 -7.788 1.00 0.00 N ATOM 234 CA VAL A 15 -3.685 -8.924 -7.801 1.00 0.00 C ATOM 235 C VAL A 15 -2.419 -8.989 -6.951 1.00 0.00 C ATOM 236 O VAL A 15 -2.105 -10.028 -6.368 1.00 0.00 O ATOM 237 CB VAL A 15 -3.327 -9.376 -9.229 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.573 -9.803 -9.984 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.594 -8.271 -9.969 1.00 0.00 C ATOM 0 H VAL A 15 -4.065 -7.023 -8.617 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.443 -9.589 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.663 -10.238 -9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.298 -10.119 -10.990 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.049 -10.632 -9.461 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.267 -8.965 -10.043 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.349 -8.608 -10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.230 -7.388 -10.027 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.676 -8.023 -9.436 1.00 0.00 H new ATOM 249 N TYR A 16 -1.684 -7.883 -6.899 1.00 0.00 N ATOM 250 CA TYR A 16 -0.443 -7.824 -6.132 1.00 0.00 C ATOM 251 C TYR A 16 -0.700 -8.011 -4.640 1.00 0.00 C ATOM 252 O TYR A 16 0.174 -8.469 -3.905 1.00 0.00 O ATOM 253 CB TYR A 16 0.273 -6.495 -6.380 1.00 0.00 C ATOM 254 CG TYR A 16 1.286 -6.562 -7.499 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.593 -6.959 -7.255 1.00 0.00 C ATOM 256 CD2 TYR A 16 0.930 -6.235 -8.801 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.522 -7.025 -8.277 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.852 -6.300 -9.828 1.00 0.00 C ATOM 259 CZ TYR A 16 3.145 -6.694 -9.561 1.00 0.00 C ATOM 260 OH TYR A 16 4.065 -6.760 -10.582 1.00 0.00 O ATOM 0 H TYR A 16 -1.925 -7.015 -7.378 1.00 0.00 H new ATOM 0 HA TYR A 16 0.195 -8.641 -6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.467 -5.730 -6.614 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.774 -6.184 -5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.890 -7.221 -6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.083 -5.925 -9.014 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.536 -7.334 -8.071 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.560 -6.043 -10.836 1.00 0.00 H new ATOM 0 HH TYR A 16 3.639 -6.496 -11.424 1.00 0.00 H new ATOM 270 N CYS A 17 -1.900 -7.653 -4.199 1.00 0.00 N ATOM 271 CA CYS A 17 -2.263 -7.794 -2.796 1.00 0.00 C ATOM 272 C CYS A 17 -2.154 -9.251 -2.365 1.00 0.00 C ATOM 273 O CYS A 17 -1.652 -9.557 -1.284 1.00 0.00 O ATOM 274 CB CYS A 17 -3.684 -7.280 -2.559 1.00 0.00 C ATOM 275 SG CYS A 17 -4.194 -7.293 -0.824 1.00 0.00 S ATOM 0 H CYS A 17 -2.635 -7.265 -4.790 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.572 -7.199 -2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.759 -6.262 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.380 -7.889 -3.136 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.674 -6.128 -0.504 1.00 0.00 H new ATOM 281 N ASP A 18 -2.617 -10.148 -3.229 1.00 0.00 N ATOM 282 CA ASP A 18 -2.567 -11.581 -2.946 1.00 0.00 C ATOM 283 C ASP A 18 -1.147 -12.012 -2.580 1.00 0.00 C ATOM 284 O ASP A 18 -0.941 -12.782 -1.643 1.00 0.00 O ATOM 285 CB ASP A 18 -3.058 -12.380 -4.157 1.00 0.00 C ATOM 286 CG ASP A 18 -4.303 -13.188 -3.850 1.00 0.00 C ATOM 287 OD1 ASP A 18 -4.257 -14.019 -2.919 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.325 -12.989 -4.541 1.00 0.00 O ATOM 0 H ASP A 18 -3.031 -9.910 -4.130 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.221 -11.782 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.266 -11.696 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.266 -13.050 -4.492 1.00 0.00 H new ATOM 293 N ASN A 19 -0.173 -11.509 -3.334 1.00 0.00 N ATOM 294 CA ASN A 19 1.228 -11.838 -3.098 1.00 0.00 C ATOM 295 C ASN A 19 1.773 -11.065 -1.901 1.00 0.00 C ATOM 296 O ASN A 19 2.294 -11.655 -0.953 1.00 0.00 O ATOM 297 CB ASN A 19 2.066 -11.530 -4.342 1.00 0.00 C ATOM 298 CG ASN A 19 1.572 -12.271 -5.570 1.00 0.00 C ATOM 299 OD1 ASN A 19 2.042 -13.367 -5.878 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.620 -11.675 -6.280 1.00 0.00 N ATOM 0 H ASN A 19 -0.330 -10.871 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 19 1.292 -12.904 -2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.044 -10.457 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.105 -11.799 -4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.250 -12.126 -7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.259 -10.767 -5.988 1.00 0.00 H new ATOM 307 N ALA A 20 1.648 -9.742 -1.948 1.00 0.00 N ATOM 308 CA ALA A 20 2.128 -8.888 -0.867 1.00 0.00 C ATOM 309 C ALA A 20 1.553 -9.329 0.474 1.00 0.00 C ATOM 310 O ALA A 20 2.260 -9.370 1.480 1.00 0.00 O ATOM 311 CB ALA A 20 1.773 -7.435 -1.144 1.00 0.00 C ATOM 0 H ALA A 20 1.218 -9.238 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 20 3.213 -8.981 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.137 -6.810 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.236 -7.119 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.691 -7.334 -1.223 1.00 0.00 H new ATOM 317 N LYS A 21 0.269 -9.668 0.479 1.00 0.00 N ATOM 318 CA LYS A 21 -0.401 -10.112 1.696 1.00 0.00 C ATOM 319 C LYS A 21 0.274 -11.359 2.255 1.00 0.00 C ATOM 320 O LYS A 21 0.665 -11.397 3.422 1.00 0.00 O ATOM 321 CB LYS A 21 -1.878 -10.398 1.414 1.00 0.00 C ATOM 322 CG LYS A 21 -2.654 -10.857 2.637 1.00 0.00 C ATOM 323 CD LYS A 21 -3.731 -11.864 2.268 1.00 0.00 C ATOM 324 CE LYS A 21 -4.410 -12.433 3.503 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.230 -11.408 4.208 1.00 0.00 N ATOM 0 H LYS A 21 -0.329 -9.644 -0.347 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.330 -9.316 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.344 -9.497 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.950 -11.163 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.969 -11.303 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.111 -9.995 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.475 -11.385 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.289 -12.675 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.045 -13.271 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.655 -12.825 4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.717 -11.848 5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.612 -10.645 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.934 -11.015 3.551 1.00 0.00 H new ATOM 339 N ARG A 22 0.410 -12.379 1.412 1.00 0.00 N ATOM 340 CA ARG A 22 1.043 -13.628 1.821 1.00 0.00 C ATOM 341 C ARG A 22 2.514 -13.406 2.159 1.00 0.00 C ATOM 342 O ARG A 22 3.086 -14.114 2.987 1.00 0.00 O ATOM 343 CB ARG A 22 0.917 -14.678 0.716 1.00 0.00 C ATOM 344 CG ARG A 22 1.344 -16.071 1.149 1.00 0.00 C ATOM 345 CD ARG A 22 1.690 -16.946 -0.044 1.00 0.00 C ATOM 346 NE ARG A 22 1.926 -18.335 0.343 1.00 0.00 N ATOM 347 CZ ARG A 22 0.955 -19.205 0.611 1.00 0.00 C ATOM 348 NH1 ARG A 22 -0.318 -18.834 0.537 1.00 0.00 N ATOM 349 NH2 ARG A 22 1.256 -20.450 0.953 1.00 0.00 N ATOM 0 H ARG A 22 0.091 -12.365 0.443 1.00 0.00 H new ATOM 0 HA ARG A 22 0.531 -13.988 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.118 -14.713 0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.522 -14.370 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.207 -15.998 1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.542 -16.536 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.878 -16.905 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.579 -16.551 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 22 2.891 -18.657 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.556 -17.878 0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.058 -19.505 0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.232 -20.741 1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.512 -21.117 1.158 1.00 0.00 H new ATOM 363 N LEU A 23 3.118 -12.409 1.518 1.00 0.00 N ATOM 364 CA LEU A 23 4.518 -12.083 1.750 1.00 0.00 C ATOM 365 C LEU A 23 4.742 -11.714 3.210 1.00 0.00 C ATOM 366 O LEU A 23 5.518 -12.359 3.915 1.00 0.00 O ATOM 367 CB LEU A 23 4.942 -10.925 0.846 1.00 0.00 C ATOM 368 CG LEU A 23 6.450 -10.774 0.626 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.742 -9.535 -0.204 1.00 0.00 C ATOM 370 CD2 LEU A 23 7.182 -10.704 1.955 1.00 0.00 C ATOM 0 H LEU A 23 2.656 -11.812 0.832 1.00 0.00 H new ATOM 0 HA LEU A 23 5.124 -12.958 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.462 -11.051 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.561 -9.997 1.272 1.00 0.00 H new ATOM 0 HG LEU A 23 6.807 -11.650 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.818 -9.441 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.249 -9.621 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.369 -8.653 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.252 -10.597 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.822 -9.847 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.998 -11.618 2.520 1.00 0.00 H new ATOM 382 N LEU A 24 4.050 -10.673 3.658 1.00 0.00 N ATOM 383 CA LEU A 24 4.170 -10.216 5.038 1.00 0.00 C ATOM 384 C LEU A 24 3.799 -11.335 6.003 1.00 0.00 C ATOM 385 O LEU A 24 4.452 -11.528 7.029 1.00 0.00 O ATOM 386 CB LEU A 24 3.280 -8.993 5.272 1.00 0.00 C ATOM 387 CG LEU A 24 3.313 -7.945 4.155 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.711 -6.633 4.631 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.736 -7.724 3.667 1.00 0.00 C ATOM 0 H LEU A 24 3.401 -10.130 3.088 1.00 0.00 H new ATOM 0 HA LEU A 24 5.206 -9.932 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.252 -9.330 5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.581 -8.517 6.205 1.00 0.00 H new ATOM 0 HG LEU A 24 2.716 -8.319 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.744 -5.903 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.676 -6.795 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.281 -6.259 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.737 -6.976 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.354 -7.376 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.138 -8.661 3.282 1.00 0.00 H new ATOM 401 N THR A 25 2.758 -12.085 5.655 1.00 0.00 N ATOM 402 CA THR A 25 2.314 -13.198 6.481 1.00 0.00 C ATOM 403 C THR A 25 3.434 -14.224 6.614 1.00 0.00 C ATOM 404 O THR A 25 3.641 -14.806 7.678 1.00 0.00 O ATOM 405 CB THR A 25 1.070 -13.850 5.874 1.00 0.00 C ATOM 406 OG1 THR A 25 0.050 -12.889 5.670 1.00 0.00 O ATOM 407 CG2 THR A 25 0.495 -14.957 6.730 1.00 0.00 C ATOM 0 H THR A 25 2.208 -11.941 4.808 1.00 0.00 H new ATOM 0 HA THR A 25 2.058 -12.821 7.471 1.00 0.00 H new ATOM 0 HB THR A 25 1.402 -14.281 4.929 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.226 -12.396 4.841 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.385 -15.376 6.241 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.242 -15.739 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.212 -14.555 7.703 1.00 0.00 H new ATOM 415 N VAL A 26 4.165 -14.420 5.519 1.00 0.00 N ATOM 416 CA VAL A 26 5.280 -15.358 5.493 1.00 0.00 C ATOM 417 C VAL A 26 6.516 -14.743 6.147 1.00 0.00 C ATOM 418 O VAL A 26 7.341 -15.450 6.726 1.00 0.00 O ATOM 419 CB VAL A 26 5.621 -15.774 4.045 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.846 -16.677 4.011 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.429 -16.459 3.396 1.00 0.00 C ATOM 0 H VAL A 26 4.002 -13.938 4.635 1.00 0.00 H new ATOM 0 HA VAL A 26 4.978 -16.243 6.053 1.00 0.00 H new ATOM 0 HB VAL A 26 5.854 -14.873 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.064 -16.955 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.700 -16.147 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.652 -17.576 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.685 -16.746 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.165 -17.349 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.581 -15.774 3.378 1.00 0.00 H new ATOM 431 N LYS A 27 6.633 -13.422 6.050 1.00 0.00 N ATOM 432 CA LYS A 27 7.762 -12.708 6.635 1.00 0.00 C ATOM 433 C LYS A 27 7.681 -12.716 8.162 1.00 0.00 C ATOM 434 O LYS A 27 8.663 -12.428 8.844 1.00 0.00 O ATOM 435 CB LYS A 27 7.803 -11.266 6.117 1.00 0.00 C ATOM 436 CG LYS A 27 9.179 -10.824 5.638 1.00 0.00 C ATOM 437 CD LYS A 27 9.443 -11.259 4.205 1.00 0.00 C ATOM 438 CE LYS A 27 10.533 -12.317 4.133 1.00 0.00 C ATOM 439 NZ LYS A 27 10.172 -13.427 3.209 1.00 0.00 N ATOM 0 H LYS A 27 5.959 -12.824 5.571 1.00 0.00 H new ATOM 0 HA LYS A 27 8.678 -13.218 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.093 -11.164 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.472 -10.595 6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.258 -9.739 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.944 -11.243 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.525 -11.652 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.735 -10.394 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.464 -11.857 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.714 -12.719 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.942 -14.126 3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.298 -13.883 3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.024 -13.048 2.252 1.00 0.00 H new ATOM 453 N LYS A 28 6.502 -13.049 8.691 1.00 0.00 N ATOM 454 CA LYS A 28 6.287 -13.097 10.137 1.00 0.00 C ATOM 455 C LYS A 28 6.150 -11.693 10.716 1.00 0.00 C ATOM 456 O LYS A 28 6.747 -11.371 11.745 1.00 0.00 O ATOM 457 CB LYS A 28 7.430 -13.844 10.832 1.00 0.00 C ATOM 458 CG LYS A 28 7.078 -14.332 12.229 1.00 0.00 C ATOM 459 CD LYS A 28 7.373 -15.814 12.395 1.00 0.00 C ATOM 460 CE LYS A 28 6.231 -16.672 11.875 1.00 0.00 C ATOM 461 NZ LYS A 28 6.000 -17.869 12.729 1.00 0.00 N ATOM 0 H LYS A 28 5.680 -13.290 8.137 1.00 0.00 H new ATOM 0 HA LYS A 28 5.357 -13.637 10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.720 -14.698 10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.298 -13.187 10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.643 -13.763 12.967 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.022 -14.147 12.424 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.290 -16.065 11.862 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.546 -16.036 13.448 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.320 -16.076 11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.451 -16.990 10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.213 -18.427 12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.861 -18.452 12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.764 -17.566 13.695 1.00 0.00 H new ATOM 475 N GLN A 29 5.359 -10.862 10.050 1.00 0.00 N ATOM 476 CA GLN A 29 5.143 -9.493 10.495 1.00 0.00 C ATOM 477 C GLN A 29 3.708 -9.050 10.226 1.00 0.00 C ATOM 478 O GLN A 29 3.161 -9.317 9.156 1.00 0.00 O ATOM 479 CB GLN A 29 6.121 -8.550 9.788 1.00 0.00 C ATOM 480 CG GLN A 29 7.471 -8.441 10.478 1.00 0.00 C ATOM 481 CD GLN A 29 7.382 -7.785 11.844 1.00 0.00 C ATOM 482 OE1 GLN A 29 6.729 -6.630 11.904 1.00 0.00 O flip ATOM 483 NE2 GLN A 29 7.898 -8.308 12.832 1.00 0.00 N flip ATOM 0 H GLN A 29 4.856 -11.113 9.199 1.00 0.00 H new ATOM 0 HA GLN A 29 5.318 -9.454 11.570 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.272 -8.897 8.766 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.674 -7.558 9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.900 -9.437 10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.151 -7.867 9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.390 -9.197 12.740 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.833 -7.853 13.742 1.00 0.00 H new ATOM 492 N PRO A 30 3.078 -8.350 11.186 1.00 0.00 N ATOM 493 CA PRO A 30 1.707 -7.856 11.029 1.00 0.00 C ATOM 494 C PRO A 30 1.662 -6.651 10.106 1.00 0.00 C ATOM 495 O PRO A 30 2.691 -6.031 9.852 1.00 0.00 O ATOM 496 CB PRO A 30 1.326 -7.449 12.450 1.00 0.00 C ATOM 497 CG PRO A 30 2.616 -7.023 13.054 1.00 0.00 C ATOM 498 CD PRO A 30 3.652 -7.961 12.492 1.00 0.00 C ATOM 0 HA PRO A 30 1.037 -8.595 10.590 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.596 -6.639 12.452 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.882 -8.280 12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.845 -5.988 12.801 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.580 -7.085 14.142 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.619 -7.472 12.378 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.806 -8.825 13.138 1.00 0.00 H new ATOM 506 N PHE A 31 0.480 -6.317 9.600 1.00 0.00 N ATOM 507 CA PHE A 31 0.349 -5.175 8.701 1.00 0.00 C ATOM 508 C PHE A 31 -1.096 -4.690 8.590 1.00 0.00 C ATOM 509 O PHE A 31 -2.023 -5.346 9.065 1.00 0.00 O ATOM 510 CB PHE A 31 0.883 -5.533 7.329 1.00 0.00 C ATOM 511 CG PHE A 31 0.113 -6.639 6.698 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.446 -7.951 6.956 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.958 -6.366 5.873 1.00 0.00 C ATOM 514 CE1 PHE A 31 -0.277 -8.983 6.398 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.687 -7.389 5.306 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.348 -8.704 5.569 1.00 0.00 C ATOM 0 H PHE A 31 -0.390 -6.812 9.793 1.00 0.00 H new ATOM 0 HA PHE A 31 0.935 -4.358 9.123 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.846 -4.654 6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.930 -5.823 7.413 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.282 -8.173 7.602 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.228 -5.340 5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.008 -10.008 6.608 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.521 -7.164 4.658 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.917 -9.509 5.129 1.00 0.00 H new ATOM 526 N GLU A 32 -1.276 -3.539 7.937 1.00 0.00 N ATOM 527 CA GLU A 32 -2.602 -2.962 7.741 1.00 0.00 C ATOM 528 C GLU A 32 -2.727 -2.385 6.335 1.00 0.00 C ATOM 529 O GLU A 32 -1.909 -1.571 5.908 1.00 0.00 O ATOM 530 CB GLU A 32 -2.876 -1.876 8.781 1.00 0.00 C ATOM 531 CG GLU A 32 -1.920 -0.697 8.707 1.00 0.00 C ATOM 532 CD GLU A 32 -2.640 0.630 8.568 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.374 1.009 9.505 1.00 0.00 O ATOM 534 OE2 GLU A 32 -2.472 1.291 7.520 1.00 0.00 O ATOM 0 H GLU A 32 -0.516 -2.990 7.535 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.341 -3.754 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.896 -1.513 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.817 -2.317 9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.302 -0.678 9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.248 -0.832 7.860 1.00 0.00 H new ATOM 541 N PHE A 33 -3.747 -2.826 5.612 1.00 0.00 N ATOM 542 CA PHE A 33 -3.978 -2.376 4.253 1.00 0.00 C ATOM 543 C PHE A 33 -4.890 -1.148 4.220 1.00 0.00 C ATOM 544 O PHE A 33 -6.000 -1.170 4.752 1.00 0.00 O ATOM 545 CB PHE A 33 -4.591 -3.523 3.451 1.00 0.00 C ATOM 546 CG PHE A 33 -4.675 -3.278 1.975 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.025 -2.208 1.390 1.00 0.00 C ATOM 548 CD2 PHE A 33 -5.414 -4.126 1.176 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.114 -1.987 0.029 1.00 0.00 C ATOM 550 CE2 PHE A 33 -5.508 -3.912 -0.182 1.00 0.00 C ATOM 551 CZ PHE A 33 -4.858 -2.842 -0.757 1.00 0.00 C ATOM 0 H PHE A 33 -4.432 -3.501 5.951 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.027 -2.083 3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.003 -4.424 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.594 -3.719 3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.441 -1.537 2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.925 -4.967 1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.603 -1.147 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.091 -4.583 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.931 -2.673 -1.821 1.00 0.00 H new ATOM 561 N ILE A 34 -4.408 -0.084 3.583 1.00 0.00 N ATOM 562 CA ILE A 34 -5.155 1.158 3.459 1.00 0.00 C ATOM 563 C ILE A 34 -5.674 1.328 2.042 1.00 0.00 C ATOM 564 O ILE A 34 -4.907 1.471 1.089 1.00 0.00 O ATOM 565 CB ILE A 34 -4.309 2.387 3.841 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.456 2.080 5.072 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.209 3.584 4.101 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.380 3.108 5.337 1.00 0.00 C ATOM 0 H ILE A 34 -3.490 -0.062 3.140 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.991 1.093 4.155 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.644 2.628 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.105 2.013 5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.990 1.103 4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.599 4.446 4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.781 3.811 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.893 3.354 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.816 2.824 6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.707 3.160 4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.840 4.083 5.496 1.00 0.00 H new ATOM 580 N ASN A 35 -6.982 1.293 1.923 1.00 0.00 N ATOM 581 CA ASN A 35 -7.656 1.429 0.636 1.00 0.00 C ATOM 582 C ASN A 35 -7.802 2.890 0.238 1.00 0.00 C ATOM 583 O ASN A 35 -8.013 3.761 1.083 1.00 0.00 O ATOM 584 CB ASN A 35 -9.033 0.766 0.685 1.00 0.00 C ATOM 585 CG ASN A 35 -9.880 1.283 1.831 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.490 2.215 2.534 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.048 0.682 2.024 1.00 0.00 N ATOM 0 H ASN A 35 -7.616 1.170 2.712 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.042 0.931 -0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.553 0.943 -0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.911 -0.313 0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.661 0.989 2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.332 -0.087 1.417 1.00 0.00 H new ATOM 594 N ILE A 36 -7.692 3.144 -1.060 1.00 0.00 N ATOM 595 CA ILE A 36 -7.813 4.494 -1.586 1.00 0.00 C ATOM 596 C ILE A 36 -9.193 4.742 -2.190 1.00 0.00 C ATOM 597 O ILE A 36 -9.549 5.882 -2.475 1.00 0.00 O ATOM 598 CB ILE A 36 -6.735 4.778 -2.649 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.884 3.818 -3.832 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.347 4.660 -2.035 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.670 4.478 -5.178 1.00 0.00 C ATOM 0 H ILE A 36 -7.519 2.430 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.672 5.171 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.866 5.796 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.170 3.002 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.880 3.376 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.594 4.863 -2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.246 5.380 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.206 3.652 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.791 3.738 -5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.400 5.276 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.664 4.896 -5.223 1.00 0.00 H new ATOM 613 N MET A 37 -9.971 3.678 -2.395 1.00 0.00 N ATOM 614 CA MET A 37 -11.303 3.823 -2.974 1.00 0.00 C ATOM 615 C MET A 37 -12.382 3.205 -2.091 1.00 0.00 C ATOM 616 O MET A 37 -12.504 1.983 -2.011 1.00 0.00 O ATOM 617 CB MET A 37 -11.371 3.185 -4.365 1.00 0.00 C ATOM 618 CG MET A 37 -12.358 3.872 -5.297 1.00 0.00 C ATOM 619 SD MET A 37 -12.349 3.183 -6.965 1.00 0.00 S ATOM 620 CE MET A 37 -10.617 3.336 -7.398 1.00 0.00 C ATOM 0 H MET A 37 -9.705 2.719 -2.171 1.00 0.00 H new ATOM 0 HA MET A 37 -11.490 4.894 -3.053 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.379 3.209 -4.817 1.00 0.00 H new ATOM 0 HB3 MET A 37 -11.649 2.136 -4.262 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.362 3.788 -4.880 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.122 4.935 -5.348 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.526 3.561 -8.461 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.166 4.140 -6.817 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.103 2.399 -7.181 1.00 0.00 H new ATOM 630 N PRO A 38 -13.202 4.043 -1.433 1.00 0.00 N ATOM 631 CA PRO A 38 -14.289 3.566 -0.585 1.00 0.00 C ATOM 632 C PRO A 38 -15.500 3.170 -1.423 1.00 0.00 C ATOM 633 O PRO A 38 -16.286 2.305 -1.037 1.00 0.00 O ATOM 634 CB PRO A 38 -14.608 4.781 0.280 1.00 0.00 C ATOM 635 CG PRO A 38 -14.287 5.950 -0.589 1.00 0.00 C ATOM 636 CD PRO A 38 -13.151 5.519 -1.483 1.00 0.00 C ATOM 0 HA PRO A 38 -14.024 2.680 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.655 4.788 0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.010 4.788 1.192 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.155 6.245 -1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.002 6.814 0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.280 5.889 -2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.194 5.898 -1.125 1.00 0.00 H new ATOM 644 N GLU A 39 -15.630 3.815 -2.581 1.00 0.00 N ATOM 645 CA GLU A 39 -16.726 3.546 -3.499 1.00 0.00 C ATOM 646 C GLU A 39 -16.261 3.719 -4.940 1.00 0.00 C ATOM 647 O GLU A 39 -15.360 4.509 -5.218 1.00 0.00 O ATOM 648 CB GLU A 39 -17.904 4.477 -3.212 1.00 0.00 C ATOM 649 CG GLU A 39 -19.258 3.823 -3.430 1.00 0.00 C ATOM 650 CD GLU A 39 -19.779 3.133 -2.185 1.00 0.00 C ATOM 651 OE1 GLU A 39 -18.950 2.704 -1.353 1.00 0.00 O ATOM 652 OE2 GLU A 39 -21.014 3.018 -2.041 1.00 0.00 O ATOM 0 H GLU A 39 -14.982 4.533 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.053 2.516 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.839 4.826 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.827 5.356 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -19.975 4.579 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.180 3.096 -4.238 1.00 0.00 H new ATOM 659 N LYS A 40 -16.882 2.983 -5.856 1.00 0.00 N ATOM 660 CA LYS A 40 -16.518 3.062 -7.269 1.00 0.00 C ATOM 661 C LYS A 40 -16.781 4.442 -7.848 1.00 0.00 C ATOM 662 O LYS A 40 -16.386 4.748 -8.974 1.00 0.00 O ATOM 663 CB LYS A 40 -17.255 1.996 -8.078 1.00 0.00 C ATOM 664 CG LYS A 40 -18.763 2.036 -7.906 1.00 0.00 C ATOM 665 CD LYS A 40 -19.469 1.257 -9.002 1.00 0.00 C ATOM 666 CE LYS A 40 -20.005 2.180 -10.084 1.00 0.00 C ATOM 667 NZ LYS A 40 -21.436 2.523 -9.860 1.00 0.00 N ATOM 0 H LYS A 40 -17.636 2.328 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.446 2.877 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.015 2.122 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.890 1.012 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.030 1.622 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.104 3.071 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.777 0.540 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.290 0.684 -8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.412 3.094 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.894 1.702 -11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.765 3.154 -10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.006 1.653 -9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.539 3.002 -8.943 1.00 0.00 H new ATOM 681 N GLY A 41 -17.437 5.263 -7.065 1.00 0.00 N ATOM 682 CA GLY A 41 -17.750 6.613 -7.484 1.00 0.00 C ATOM 683 C GLY A 41 -16.554 7.535 -7.377 1.00 0.00 C ATOM 684 O GLY A 41 -16.172 8.184 -8.352 1.00 0.00 O ATOM 0 H GLY A 41 -17.767 5.022 -6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.105 6.599 -8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.563 7.003 -6.872 1.00 0.00 H new ATOM 688 N VAL A 42 -15.958 7.594 -6.190 1.00 0.00 N ATOM 689 CA VAL A 42 -14.803 8.451 -5.968 1.00 0.00 C ATOM 690 C VAL A 42 -13.877 7.896 -4.889 1.00 0.00 C ATOM 691 O VAL A 42 -14.332 7.493 -3.819 1.00 0.00 O ATOM 692 CB VAL A 42 -15.238 9.871 -5.554 1.00 0.00 C ATOM 693 CG1 VAL A 42 -14.050 10.820 -5.562 1.00 0.00 C ATOM 694 CG2 VAL A 42 -16.343 10.383 -6.466 1.00 0.00 C ATOM 0 H VAL A 42 -16.255 7.061 -5.373 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.263 8.487 -6.914 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.630 9.825 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.378 11.817 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.295 10.464 -4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.623 10.860 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.635 11.386 -6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.982 10.411 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.205 9.719 -6.402 1.00 0.00 H new ATOM 704 N PHE A 43 -12.572 7.897 -5.165 1.00 0.00 N ATOM 705 CA PHE A 43 -11.595 7.411 -4.193 1.00 0.00 C ATOM 706 C PHE A 43 -11.732 8.193 -2.885 1.00 0.00 C ATOM 707 O PHE A 43 -12.451 9.190 -2.824 1.00 0.00 O ATOM 708 CB PHE A 43 -10.156 7.547 -4.728 1.00 0.00 C ATOM 709 CG PHE A 43 -10.055 7.725 -6.218 1.00 0.00 C ATOM 710 CD1 PHE A 43 -10.568 6.771 -7.080 1.00 0.00 C ATOM 711 CD2 PHE A 43 -9.450 8.851 -6.752 1.00 0.00 C ATOM 712 CE1 PHE A 43 -10.479 6.936 -8.449 1.00 0.00 C ATOM 713 CE2 PHE A 43 -9.357 9.022 -8.120 1.00 0.00 C ATOM 714 CZ PHE A 43 -9.873 8.063 -8.969 1.00 0.00 C ATOM 0 H PHE A 43 -12.171 8.225 -6.044 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.794 6.354 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.680 8.398 -4.241 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.591 6.660 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.043 5.888 -6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.046 9.604 -6.091 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.883 6.185 -9.112 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.882 9.904 -8.524 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.803 8.194 -10.039 1.00 0.00 H new ATOM 724 N ASP A 44 -11.051 7.732 -1.841 1.00 0.00 N ATOM 725 CA ASP A 44 -11.116 8.379 -0.531 1.00 0.00 C ATOM 726 C ASP A 44 -10.088 9.502 -0.404 1.00 0.00 C ATOM 727 O ASP A 44 -8.897 9.246 -0.245 1.00 0.00 O ATOM 728 CB ASP A 44 -10.886 7.345 0.575 1.00 0.00 C ATOM 729 CG ASP A 44 -12.050 7.258 1.542 1.00 0.00 C ATOM 730 OD1 ASP A 44 -12.583 8.320 1.926 1.00 0.00 O ATOM 731 OD2 ASP A 44 -12.426 6.128 1.918 1.00 0.00 O ATOM 0 H ASP A 44 -10.446 6.911 -1.875 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.109 8.817 -0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.719 6.367 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.980 7.601 1.124 1.00 0.00 H new ATOM 736 N ASP A 45 -10.558 10.747 -0.452 1.00 0.00 N ATOM 737 CA ASP A 45 -9.675 11.904 -0.328 1.00 0.00 C ATOM 738 C ASP A 45 -8.879 11.850 0.975 1.00 0.00 C ATOM 739 O ASP A 45 -7.776 12.392 1.061 1.00 0.00 O ATOM 740 CB ASP A 45 -10.485 13.200 -0.379 1.00 0.00 C ATOM 741 CG ASP A 45 -11.207 13.379 -1.700 1.00 0.00 C ATOM 742 OD1 ASP A 45 -11.988 12.480 -2.076 1.00 0.00 O ATOM 743 OD2 ASP A 45 -10.990 14.418 -2.358 1.00 0.00 O ATOM 0 H ASP A 45 -11.543 10.980 -0.576 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.977 11.881 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.212 13.203 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.820 14.048 -0.214 1.00 0.00 H new ATOM 748 N GLU A 46 -9.443 11.195 1.987 1.00 0.00 N ATOM 749 CA GLU A 46 -8.780 11.075 3.282 1.00 0.00 C ATOM 750 C GLU A 46 -7.431 10.383 3.131 1.00 0.00 C ATOM 751 O GLU A 46 -6.401 10.906 3.558 1.00 0.00 O ATOM 752 CB GLU A 46 -9.660 10.298 4.262 1.00 0.00 C ATOM 753 CG GLU A 46 -11.082 10.825 4.351 1.00 0.00 C ATOM 754 CD GLU A 46 -11.603 10.862 5.775 1.00 0.00 C ATOM 755 OE1 GLU A 46 -10.777 10.936 6.709 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.839 10.818 5.956 1.00 0.00 O ATOM 0 H GLU A 46 -10.355 10.741 1.935 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.616 12.078 3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.688 9.251 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.206 10.333 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.121 11.829 3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.736 10.198 3.745 1.00 0.00 H new ATOM 763 N LYS A 47 -7.443 9.209 2.509 1.00 0.00 N ATOM 764 CA LYS A 47 -6.218 8.454 2.289 1.00 0.00 C ATOM 765 C LYS A 47 -5.350 9.158 1.254 1.00 0.00 C ATOM 766 O LYS A 47 -4.131 9.242 1.399 1.00 0.00 O ATOM 767 CB LYS A 47 -6.540 7.033 1.823 1.00 0.00 C ATOM 768 CG LYS A 47 -6.893 6.086 2.958 1.00 0.00 C ATOM 769 CD LYS A 47 -8.375 6.139 3.290 1.00 0.00 C ATOM 770 CE LYS A 47 -8.643 7.018 4.501 1.00 0.00 C ATOM 771 NZ LYS A 47 -8.392 6.293 5.778 1.00 0.00 N ATOM 0 H LYS A 47 -8.286 8.762 2.149 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.673 8.395 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.372 7.070 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.682 6.634 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.617 5.068 2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.312 6.345 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.928 6.521 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.742 5.131 3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.009 7.903 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.676 7.365 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.586 6.926 6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.015 5.462 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.400 5.984 5.813 1.00 0.00 H new ATOM 785 N ILE A 48 -5.997 9.675 0.216 1.00 0.00 N ATOM 786 CA ILE A 48 -5.300 10.387 -0.846 1.00 0.00 C ATOM 787 C ILE A 48 -4.526 11.575 -0.281 1.00 0.00 C ATOM 788 O ILE A 48 -3.364 11.792 -0.619 1.00 0.00 O ATOM 789 CB ILE A 48 -6.293 10.883 -1.921 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.989 9.697 -2.593 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.589 11.742 -2.962 1.00 0.00 C ATOM 792 CD1 ILE A 48 -6.038 8.746 -3.283 1.00 0.00 C ATOM 0 H ILE A 48 -7.007 9.613 0.088 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.599 9.691 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.045 11.498 -1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.557 9.148 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.706 10.074 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.312 12.077 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.140 12.608 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.810 11.156 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.603 7.931 -3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.487 9.280 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.337 8.340 -2.554 1.00 0.00 H new ATOM 804 N ALA A 49 -5.183 12.342 0.585 1.00 0.00 N ATOM 805 CA ALA A 49 -4.563 13.510 1.198 1.00 0.00 C ATOM 806 C ALA A 49 -3.407 13.110 2.107 1.00 0.00 C ATOM 807 O ALA A 49 -2.278 13.570 1.930 1.00 0.00 O ATOM 808 CB ALA A 49 -5.598 14.305 1.980 1.00 0.00 C ATOM 0 H ALA A 49 -6.146 12.174 0.877 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.162 14.136 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.122 15.175 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.389 14.634 1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.025 13.677 2.762 1.00 0.00 H new ATOM 814 N GLU A 50 -3.693 12.254 3.083 1.00 0.00 N ATOM 815 CA GLU A 50 -2.671 11.800 4.020 1.00 0.00 C ATOM 816 C GLU A 50 -1.545 11.076 3.289 1.00 0.00 C ATOM 817 O GLU A 50 -0.391 11.117 3.714 1.00 0.00 O ATOM 818 CB GLU A 50 -3.286 10.888 5.087 1.00 0.00 C ATOM 819 CG GLU A 50 -3.679 9.512 4.572 1.00 0.00 C ATOM 820 CD GLU A 50 -4.700 8.829 5.461 1.00 0.00 C ATOM 821 OE1 GLU A 50 -5.725 9.465 5.787 1.00 0.00 O ATOM 822 OE2 GLU A 50 -4.473 7.658 5.834 1.00 0.00 O ATOM 0 H GLU A 50 -4.620 11.862 3.246 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.251 12.677 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.574 10.769 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.168 11.375 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.085 9.607 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.789 8.887 4.500 1.00 0.00 H new ATOM 829 N LEU A 51 -1.883 10.424 2.180 1.00 0.00 N ATOM 830 CA LEU A 51 -0.895 9.703 1.392 1.00 0.00 C ATOM 831 C LEU A 51 0.214 10.642 0.935 1.00 0.00 C ATOM 832 O LEU A 51 1.395 10.381 1.163 1.00 0.00 O ATOM 833 CB LEU A 51 -1.557 9.046 0.180 1.00 0.00 C ATOM 834 CG LEU A 51 -0.596 8.380 -0.809 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.483 7.602 -0.071 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.360 7.465 -1.750 1.00 0.00 C ATOM 0 H LEU A 51 -2.832 10.382 1.809 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.458 8.926 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.264 8.296 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.134 9.802 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.112 9.160 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.154 7.137 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.049 8.281 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.019 6.830 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.665 6.998 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.869 6.693 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.096 8.047 -2.306 1.00 0.00 H new ATOM 848 N LEU A 52 -0.175 11.742 0.295 1.00 0.00 N ATOM 849 CA LEU A 52 0.781 12.725 -0.183 1.00 0.00 C ATOM 850 C LEU A 52 1.692 13.198 0.940 1.00 0.00 C ATOM 851 O LEU A 52 2.912 13.257 0.787 1.00 0.00 O ATOM 852 CB LEU A 52 0.029 13.880 -0.780 1.00 0.00 C ATOM 853 CG LEU A 52 -0.817 13.481 -1.972 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.457 14.699 -2.542 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.023 12.772 -3.023 1.00 0.00 C ATOM 0 H LEU A 52 -1.149 11.971 0.097 1.00 0.00 H new ATOM 0 HA LEU A 52 1.416 12.268 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.612 14.322 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.738 14.649 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.589 12.784 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.068 14.421 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.086 15.167 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.686 15.401 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.608 12.496 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.816 13.437 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.464 11.874 -2.591 1.00 0.00 H new ATOM 867 N THR A 53 1.087 13.517 2.081 1.00 0.00 N ATOM 868 CA THR A 53 1.838 13.970 3.243 1.00 0.00 C ATOM 869 C THR A 53 2.761 12.862 3.739 1.00 0.00 C ATOM 870 O THR A 53 3.863 13.124 4.218 1.00 0.00 O ATOM 871 CB THR A 53 0.883 14.392 4.361 1.00 0.00 C ATOM 872 OG1 THR A 53 -0.006 15.398 3.907 1.00 0.00 O ATOM 873 CG2 THR A 53 1.594 14.927 5.586 1.00 0.00 C ATOM 0 H THR A 53 0.078 13.469 2.223 1.00 0.00 H new ATOM 0 HA THR A 53 2.442 14.830 2.952 1.00 0.00 H new ATOM 0 HB THR A 53 0.346 13.485 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.610 15.654 4.635 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.859 15.208 6.340 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.252 14.158 5.990 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.184 15.801 5.311 1.00 0.00 H new ATOM 881 N LYS A 54 2.302 11.621 3.607 1.00 0.00 N ATOM 882 CA LYS A 54 3.084 10.468 4.030 1.00 0.00 C ATOM 883 C LYS A 54 4.338 10.331 3.172 1.00 0.00 C ATOM 884 O LYS A 54 5.406 9.969 3.667 1.00 0.00 O ATOM 885 CB LYS A 54 2.240 9.192 3.950 1.00 0.00 C ATOM 886 CG LYS A 54 1.623 8.790 5.280 1.00 0.00 C ATOM 887 CD LYS A 54 2.599 7.993 6.131 1.00 0.00 C ATOM 888 CE LYS A 54 2.322 6.501 6.043 1.00 0.00 C ATOM 889 NZ LYS A 54 3.158 5.724 7.001 1.00 0.00 N ATOM 0 H LYS A 54 1.391 11.390 3.210 1.00 0.00 H new ATOM 0 HA LYS A 54 3.388 10.618 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.445 9.337 3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.863 8.375 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.312 9.683 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.726 8.197 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.619 8.195 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.528 8.317 7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.268 6.315 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.516 6.155 5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.904 4.717 6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.163 5.841 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.992 6.071 7.967 1.00 0.00 H new ATOM 903 N LEU A 55 4.203 10.639 1.886 1.00 0.00 N ATOM 904 CA LEU A 55 5.326 10.566 0.957 1.00 0.00 C ATOM 905 C LEU A 55 6.444 11.506 1.396 1.00 0.00 C ATOM 906 O LEU A 55 7.622 11.151 1.365 1.00 0.00 O ATOM 907 CB LEU A 55 4.868 10.933 -0.457 1.00 0.00 C ATOM 908 CG LEU A 55 3.882 9.956 -1.111 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.198 9.804 -2.587 1.00 0.00 C ATOM 910 CD2 LEU A 55 3.914 8.596 -0.428 1.00 0.00 C ATOM 0 H LEU A 55 3.326 10.942 1.463 1.00 0.00 H new ATOM 0 HA LEU A 55 5.705 9.544 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.406 11.920 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.748 11.014 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 55 2.879 10.367 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.492 9.108 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.118 10.774 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.211 9.420 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.204 7.927 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.917 8.176 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.644 8.710 0.622 1.00 0.00 H new ATOM 922 N GLY A 56 6.057 12.709 1.806 1.00 0.00 N ATOM 923 CA GLY A 56 7.022 13.701 2.246 1.00 0.00 C ATOM 924 C GLY A 56 6.441 15.102 2.217 1.00 0.00 C ATOM 925 O GLY A 56 5.601 15.449 3.047 1.00 0.00 O ATOM 0 H GLY A 56 5.085 13.017 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.351 13.465 3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.904 13.660 1.606 1.00 0.00 H new ATOM 929 N ARG A 57 6.881 15.903 1.253 1.00 0.00 N ATOM 930 CA ARG A 57 6.388 17.268 1.110 1.00 0.00 C ATOM 931 C ARG A 57 6.435 17.711 -0.346 1.00 0.00 C ATOM 932 O ARG A 57 6.537 18.900 -0.645 1.00 0.00 O ATOM 933 CB ARG A 57 7.200 18.228 1.981 1.00 0.00 C ATOM 934 CG ARG A 57 8.683 18.245 1.647 1.00 0.00 C ATOM 935 CD ARG A 57 9.529 18.496 2.885 1.00 0.00 C ATOM 936 NE ARG A 57 9.251 19.800 3.483 1.00 0.00 N ATOM 937 CZ ARG A 57 9.750 20.947 3.027 1.00 0.00 C ATOM 938 NH1 ARG A 57 10.551 20.956 1.969 1.00 0.00 N ATOM 939 NH2 ARG A 57 9.446 22.088 3.630 1.00 0.00 N ATOM 0 H ARG A 57 7.578 15.631 0.559 1.00 0.00 H new ATOM 0 HA ARG A 57 5.350 17.288 1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.799 19.235 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.075 17.950 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.967 17.293 1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.882 19.019 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.339 17.713 3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.585 18.436 2.621 1.00 0.00 H new ATOM 0 HE ARG A 57 8.638 19.833 4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.787 20.081 1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.930 21.838 1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.830 22.087 4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.828 22.967 3.281 1.00 0.00 H new ATOM 953 N ASP A 58 6.352 16.740 -1.245 1.00 0.00 N ATOM 954 CA ASP A 58 6.377 17.003 -2.671 1.00 0.00 C ATOM 955 C ASP A 58 5.108 16.468 -3.331 1.00 0.00 C ATOM 956 O ASP A 58 4.066 16.343 -2.687 1.00 0.00 O ATOM 957 CB ASP A 58 7.622 16.365 -3.296 1.00 0.00 C ATOM 958 CG ASP A 58 8.248 17.241 -4.363 1.00 0.00 C ATOM 959 OD1 ASP A 58 7.509 17.710 -5.254 1.00 0.00 O ATOM 960 OD2 ASP A 58 9.477 17.456 -4.308 1.00 0.00 O ATOM 0 H ASP A 58 6.266 15.753 -1.004 1.00 0.00 H new ATOM 0 HA ASP A 58 6.418 18.080 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.356 16.168 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.354 15.403 -3.732 1.00 0.00 H new ATOM 965 N THR A 59 5.207 16.144 -4.614 1.00 0.00 N ATOM 966 CA THR A 59 4.077 15.610 -5.365 1.00 0.00 C ATOM 967 C THR A 59 4.413 14.232 -5.927 1.00 0.00 C ATOM 968 O THR A 59 5.584 13.868 -6.035 1.00 0.00 O ATOM 969 CB THR A 59 3.696 16.558 -6.502 1.00 0.00 C ATOM 970 OG1 THR A 59 2.660 16.002 -7.291 1.00 0.00 O ATOM 971 CG2 THR A 59 4.852 16.881 -7.424 1.00 0.00 C ATOM 0 H THR A 59 6.063 16.242 -5.159 1.00 0.00 H new ATOM 0 HA THR A 59 3.229 15.515 -4.686 1.00 0.00 H new ATOM 0 HB THR A 59 3.372 17.478 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.429 16.624 -8.012 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.514 17.558 -8.208 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.650 17.356 -6.854 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.226 15.962 -7.875 1.00 0.00 H new ATOM 979 N GLN A 60 3.385 13.472 -6.290 1.00 0.00 N ATOM 980 CA GLN A 60 3.584 12.138 -6.849 1.00 0.00 C ATOM 981 C GLN A 60 3.107 12.081 -8.295 1.00 0.00 C ATOM 982 O GLN A 60 1.916 11.927 -8.564 1.00 0.00 O ATOM 983 CB GLN A 60 2.838 11.095 -6.019 1.00 0.00 C ATOM 984 CG GLN A 60 1.458 11.543 -5.570 1.00 0.00 C ATOM 985 CD GLN A 60 0.728 10.472 -4.787 1.00 0.00 C ATOM 986 OE1 GLN A 60 1.213 10.002 -3.757 1.00 0.00 O ATOM 987 NE2 GLN A 60 -0.443 10.080 -5.274 1.00 0.00 N ATOM 0 H GLN A 60 2.408 13.755 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 60 4.651 11.918 -6.823 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.741 10.180 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.434 10.849 -5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.552 12.438 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.866 11.817 -6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.805 10.498 -6.131 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.981 9.360 -4.791 1.00 0.00 H new ATOM 996 N ILE A 61 4.050 12.199 -9.220 1.00 0.00 N ATOM 997 CA ILE A 61 3.743 12.161 -10.644 1.00 0.00 C ATOM 998 C ILE A 61 3.599 10.732 -11.147 1.00 0.00 C ATOM 999 O ILE A 61 4.562 10.130 -11.622 1.00 0.00 O ATOM 1000 CB ILE A 61 4.825 12.879 -11.474 1.00 0.00 C ATOM 1001 CG1 ILE A 61 5.142 14.246 -10.867 1.00 0.00 C ATOM 1002 CG2 ILE A 61 4.373 13.025 -12.919 1.00 0.00 C ATOM 1003 CD1 ILE A 61 6.290 14.220 -9.882 1.00 0.00 C ATOM 0 H ILE A 61 5.040 12.323 -9.008 1.00 0.00 H new ATOM 0 HA ILE A 61 2.793 12.680 -10.770 1.00 0.00 H new ATOM 0 HB ILE A 61 5.734 12.277 -11.457 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.379 14.945 -11.670 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.252 14.627 -10.365 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.147 13.534 -13.493 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.195 12.038 -13.346 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.453 13.608 -12.955 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.458 15.224 -9.492 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.048 13.547 -9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.192 13.870 -10.384 1.00 0.00 H new ATOM 1015 N GLY A 62 2.391 10.199 -11.046 1.00 0.00 N ATOM 1016 CA GLY A 62 2.141 8.846 -11.500 1.00 0.00 C ATOM 1017 C GLY A 62 2.171 7.843 -10.368 1.00 0.00 C ATOM 1018 O GLY A 62 2.587 6.700 -10.555 1.00 0.00 O ATOM 0 H GLY A 62 1.579 10.679 -10.658 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.170 8.805 -11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.888 8.572 -12.245 1.00 0.00 H new ATOM 1022 N LEU A 63 1.733 8.274 -9.187 1.00 0.00 N ATOM 1023 CA LEU A 63 1.705 7.406 -8.013 1.00 0.00 C ATOM 1024 C LEU A 63 1.148 6.028 -8.367 1.00 0.00 C ATOM 1025 O LEU A 63 0.101 5.917 -9.005 1.00 0.00 O ATOM 1026 CB LEU A 63 0.866 8.046 -6.905 1.00 0.00 C ATOM 1027 CG LEU A 63 1.047 7.434 -5.515 1.00 0.00 C ATOM 1028 CD1 LEU A 63 0.517 6.013 -5.492 1.00 0.00 C ATOM 1029 CD2 LEU A 63 2.511 7.467 -5.103 1.00 0.00 C ATOM 0 H LEU A 63 1.392 9.220 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 63 2.727 7.279 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.111 9.107 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.186 7.976 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 63 0.478 8.026 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.653 5.590 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.544 6.016 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.061 5.410 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.620 7.027 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.103 6.898 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.860 8.499 -5.082 1.00 0.00 H new ATOM 1041 N THR A 64 1.861 4.983 -7.958 1.00 0.00 N ATOM 1042 CA THR A 64 1.439 3.616 -8.244 1.00 0.00 C ATOM 1043 C THR A 64 1.030 2.877 -6.971 1.00 0.00 C ATOM 1044 O THR A 64 1.568 3.125 -5.891 1.00 0.00 O ATOM 1045 CB THR A 64 2.563 2.856 -8.949 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.173 3.667 -9.937 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.096 1.584 -9.623 1.00 0.00 C ATOM 0 H THR A 64 2.730 5.056 -7.430 1.00 0.00 H new ATOM 0 HA THR A 64 0.568 3.666 -8.898 1.00 0.00 H new ATOM 0 HB THR A 64 3.270 2.592 -8.163 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.891 3.164 -10.376 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.943 1.095 -10.104 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.665 0.915 -8.878 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.343 1.825 -10.373 1.00 0.00 H new ATOM 1055 N MET A 65 0.075 1.965 -7.113 1.00 0.00 N ATOM 1056 CA MET A 65 -0.411 1.183 -5.987 1.00 0.00 C ATOM 1057 C MET A 65 -0.184 -0.306 -6.224 1.00 0.00 C ATOM 1058 O MET A 65 -0.074 -0.750 -7.366 1.00 0.00 O ATOM 1059 CB MET A 65 -1.899 1.453 -5.757 1.00 0.00 C ATOM 1060 CG MET A 65 -2.171 2.754 -5.021 1.00 0.00 C ATOM 1061 SD MET A 65 -2.134 4.188 -6.111 1.00 0.00 S ATOM 1062 CE MET A 65 -3.390 3.736 -7.302 1.00 0.00 C ATOM 0 H MET A 65 -0.378 1.750 -8.001 1.00 0.00 H new ATOM 0 HA MET A 65 0.147 1.482 -5.100 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.409 1.476 -6.720 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.327 0.627 -5.189 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.146 2.696 -4.536 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.430 2.883 -4.232 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.664 4.611 -7.892 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.003 2.960 -7.962 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.270 3.361 -6.779 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.101 -1.102 -5.144 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.223 -0.623 -3.767 1.00 0.00 C ATOM 1074 C PRO A 66 1.068 -0.004 -3.238 1.00 0.00 C ATOM 1075 O PRO A 66 2.158 -0.540 -3.445 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.563 -1.895 -2.971 1.00 0.00 C ATOM 1077 CG PRO A 66 -0.687 -2.990 -3.983 1.00 0.00 C ATOM 1078 CD PRO A 66 0.108 -2.546 -5.173 1.00 0.00 C ATOM 0 HA PRO A 66 -0.970 0.167 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.217 -2.121 -2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.492 -1.771 -2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.305 -3.931 -3.588 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.730 -3.157 -4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.162 -2.809 -5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.255 -2.994 -6.098 1.00 0.00 H new ATOM 1086 N GLN A 67 0.931 1.116 -2.537 1.00 0.00 N ATOM 1087 CA GLN A 67 2.078 1.801 -1.957 1.00 0.00 C ATOM 1088 C GLN A 67 2.199 1.462 -0.477 1.00 0.00 C ATOM 1089 O GLN A 67 1.294 1.735 0.308 1.00 0.00 O ATOM 1090 CB GLN A 67 1.944 3.313 -2.143 1.00 0.00 C ATOM 1091 CG GLN A 67 3.264 4.009 -2.429 1.00 0.00 C ATOM 1092 CD GLN A 67 3.705 3.857 -3.872 1.00 0.00 C ATOM 1093 OE1 GLN A 67 3.449 4.724 -4.707 1.00 0.00 O ATOM 1094 NE2 GLN A 67 4.377 2.751 -4.172 1.00 0.00 N ATOM 0 H GLN A 67 0.035 1.569 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 67 2.980 1.466 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.254 3.510 -2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.503 3.744 -1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.170 5.069 -2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.034 3.602 -1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.567 2.058 -3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.703 2.595 -5.126 1.00 0.00 H new ATOM 1103 N VAL A 68 3.309 0.842 -0.100 1.00 0.00 N ATOM 1104 CA VAL A 68 3.520 0.450 1.287 1.00 0.00 C ATOM 1105 C VAL A 68 4.286 1.508 2.073 1.00 0.00 C ATOM 1106 O VAL A 68 4.949 2.375 1.502 1.00 0.00 O ATOM 1107 CB VAL A 68 4.270 -0.897 1.392 1.00 0.00 C ATOM 1108 CG1 VAL A 68 4.147 -1.467 2.796 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.748 -1.890 0.361 1.00 0.00 C ATOM 0 H VAL A 68 4.073 0.601 -0.731 1.00 0.00 H new ATOM 0 HA VAL A 68 2.526 0.342 1.722 1.00 0.00 H new ATOM 0 HB VAL A 68 5.325 -0.717 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.681 -2.416 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.576 -0.766 3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.095 -1.628 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.291 -2.831 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.686 -2.066 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.893 -1.485 -0.640 1.00 0.00 H new ATOM 1119 N PHE A 69 4.188 1.415 3.395 1.00 0.00 N ATOM 1120 CA PHE A 69 4.860 2.343 4.294 1.00 0.00 C ATOM 1121 C PHE A 69 5.352 1.605 5.531 1.00 0.00 C ATOM 1122 O PHE A 69 4.780 0.588 5.923 1.00 0.00 O ATOM 1123 CB PHE A 69 3.906 3.457 4.715 1.00 0.00 C ATOM 1124 CG PHE A 69 3.577 4.407 3.609 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.398 5.487 3.347 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.449 4.218 2.832 1.00 0.00 C ATOM 1127 CE1 PHE A 69 4.100 6.365 2.326 1.00 0.00 C ATOM 1128 CE2 PHE A 69 2.144 5.092 1.810 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.970 6.168 1.556 1.00 0.00 C ATOM 0 H PHE A 69 3.642 0.697 3.871 1.00 0.00 H new ATOM 0 HA PHE A 69 5.710 2.779 3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.983 3.013 5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.350 4.013 5.541 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.282 5.645 3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.800 3.377 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.749 7.205 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.260 4.935 1.209 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.733 6.855 0.757 1.00 0.00 H new ATOM 1139 N ALA A 70 6.415 2.111 6.141 1.00 0.00 N ATOM 1140 CA ALA A 70 6.972 1.482 7.331 1.00 0.00 C ATOM 1141 C ALA A 70 5.985 1.556 8.496 1.00 0.00 C ATOM 1142 O ALA A 70 5.283 2.554 8.658 1.00 0.00 O ATOM 1143 CB ALA A 70 8.288 2.143 7.714 1.00 0.00 C ATOM 0 H ALA A 70 6.907 2.950 5.834 1.00 0.00 H new ATOM 0 HA ALA A 70 7.159 0.432 7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.691 1.662 8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.998 2.041 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.118 3.200 7.918 1.00 0.00 H new ATOM 1149 N PRO A 71 5.927 0.508 9.337 1.00 0.00 N ATOM 1150 CA PRO A 71 5.028 0.480 10.495 1.00 0.00 C ATOM 1151 C PRO A 71 5.340 1.595 11.487 1.00 0.00 C ATOM 1152 O PRO A 71 4.515 1.937 12.332 1.00 0.00 O ATOM 1153 CB PRO A 71 5.277 -0.893 11.128 1.00 0.00 C ATOM 1154 CG PRO A 71 5.990 -1.694 10.091 1.00 0.00 C ATOM 1155 CD PRO A 71 6.740 -0.714 9.238 1.00 0.00 C ATOM 0 HA PRO A 71 3.989 0.634 10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.877 -0.803 12.034 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.338 -1.369 11.413 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.672 -2.408 10.553 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.284 -2.269 9.492 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.754 -0.554 9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.825 -1.059 8.208 1.00 0.00 H new ATOM 1163 N ASP A 72 6.537 2.167 11.369 1.00 0.00 N ATOM 1164 CA ASP A 72 6.962 3.251 12.248 1.00 0.00 C ATOM 1165 C ASP A 72 6.875 4.598 11.532 1.00 0.00 C ATOM 1166 O ASP A 72 6.722 5.640 12.169 1.00 0.00 O ATOM 1167 CB ASP A 72 8.394 3.011 12.731 1.00 0.00 C ATOM 1168 CG ASP A 72 9.380 2.904 11.585 1.00 0.00 C ATOM 1169 OD1 ASP A 72 9.541 1.791 11.043 1.00 0.00 O ATOM 1170 OD2 ASP A 72 9.994 3.933 11.232 1.00 0.00 O ATOM 0 H ASP A 72 7.230 1.896 10.671 1.00 0.00 H new ATOM 0 HA ASP A 72 6.293 3.272 13.108 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.694 3.826 13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.427 2.095 13.322 1.00 0.00 H new ATOM 1175 N GLY A 73 6.974 4.569 10.205 1.00 0.00 N ATOM 1176 CA GLY A 73 6.901 5.794 9.431 1.00 0.00 C ATOM 1177 C GLY A 73 8.060 5.945 8.463 1.00 0.00 C ATOM 1178 O GLY A 73 9.069 6.574 8.784 1.00 0.00 O ATOM 0 H GLY A 73 7.103 3.720 9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.964 5.812 8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.886 6.647 10.109 1.00 0.00 H new ATOM 1182 N SER A 74 7.915 5.368 7.272 1.00 0.00 N ATOM 1183 CA SER A 74 8.955 5.441 6.249 1.00 0.00 C ATOM 1184 C SER A 74 8.532 4.687 4.990 1.00 0.00 C ATOM 1185 O SER A 74 8.297 3.480 5.027 1.00 0.00 O ATOM 1186 CB SER A 74 10.278 4.877 6.781 1.00 0.00 C ATOM 1187 OG SER A 74 10.093 4.207 8.016 1.00 0.00 O ATOM 0 H SER A 74 7.086 4.844 6.992 1.00 0.00 H new ATOM 0 HA SER A 74 9.100 6.490 5.992 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.702 4.188 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.996 5.687 6.908 1.00 0.00 H new ATOM 0 HG SER A 74 10.281 4.824 8.754 1.00 0.00 H new ATOM 1193 N HIS A 75 8.438 5.407 3.877 1.00 0.00 N ATOM 1194 CA HIS A 75 8.043 4.810 2.604 1.00 0.00 C ATOM 1195 C HIS A 75 8.950 3.637 2.236 1.00 0.00 C ATOM 1196 O HIS A 75 10.174 3.746 2.294 1.00 0.00 O ATOM 1197 CB HIS A 75 8.080 5.864 1.496 1.00 0.00 C ATOM 1198 CG HIS A 75 7.431 5.420 0.222 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.961 5.647 -1.028 1.00 0.00 N ATOM 1200 CD2 HIS A 75 6.267 4.750 0.020 1.00 0.00 C ATOM 1201 CE1 HIS A 75 7.122 5.121 -1.932 1.00 0.00 C ATOM 1202 NE2 HIS A 75 6.078 4.565 -1.347 1.00 0.00 N ATOM 0 H HIS A 75 8.630 6.408 3.830 1.00 0.00 H new ATOM 0 HA HIS A 75 7.026 4.432 2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.585 6.768 1.850 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.118 6.128 1.292 1.00 0.00 H new ATOM 0 HD1 HIS A 75 8.836 6.130 -1.231 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.595 4.414 0.796 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.280 5.149 -3.000 1.00 0.00 H new ATOM 1210 N ILE A 76 8.338 2.518 1.855 1.00 0.00 N ATOM 1211 CA ILE A 76 9.092 1.326 1.472 1.00 0.00 C ATOM 1212 C ILE A 76 8.842 0.971 0.007 1.00 0.00 C ATOM 1213 O ILE A 76 9.724 0.446 -0.672 1.00 0.00 O ATOM 1214 CB ILE A 76 8.737 0.120 2.378 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.331 0.318 3.772 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.230 -1.191 1.780 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.286 0.464 4.850 1.00 0.00 C ATOM 0 H ILE A 76 7.325 2.411 1.803 1.00 0.00 H new ATOM 0 HA ILE A 76 10.150 1.553 1.602 1.00 0.00 H new ATOM 0 HB ILE A 76 7.651 0.066 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.973 -0.530 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.964 1.205 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.964 -2.015 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.766 -1.344 0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.313 -1.154 1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.775 0.601 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.659 1.329 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.668 -0.433 4.881 1.00 0.00 H new ATOM 1229 N GLY A 77 7.637 1.264 -0.476 1.00 0.00 N ATOM 1230 CA GLY A 77 7.307 0.972 -1.858 1.00 0.00 C ATOM 1231 C GLY A 77 6.173 -0.025 -1.991 1.00 0.00 C ATOM 1232 O GLY A 77 5.410 -0.236 -1.051 1.00 0.00 O ATOM 0 H GLY A 77 6.887 1.697 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.033 1.897 -2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.190 0.581 -2.363 1.00 0.00 H new ATOM 1236 N GLY A 78 6.061 -0.638 -3.165 1.00 0.00 N ATOM 1237 CA GLY A 78 5.011 -1.612 -3.397 1.00 0.00 C ATOM 1238 C GLY A 78 5.451 -3.017 -3.042 1.00 0.00 C ATOM 1239 O GLY A 78 6.257 -3.207 -2.136 1.00 0.00 O ATOM 0 H GLY A 78 6.679 -0.477 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.134 -1.347 -2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.712 -1.580 -4.445 1.00 0.00 H new ATOM 1243 N PHE A 79 4.928 -4.006 -3.759 1.00 0.00 N ATOM 1244 CA PHE A 79 5.286 -5.398 -3.507 1.00 0.00 C ATOM 1245 C PHE A 79 6.732 -5.658 -3.923 1.00 0.00 C ATOM 1246 O PHE A 79 7.539 -6.141 -3.130 1.00 0.00 O ATOM 1247 CB PHE A 79 4.337 -6.334 -4.263 1.00 0.00 C ATOM 1248 CG PHE A 79 4.711 -7.790 -4.175 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.745 -8.443 -2.952 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.026 -8.505 -5.320 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.086 -9.781 -2.875 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.368 -9.842 -5.249 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.398 -10.481 -4.024 1.00 0.00 C ATOM 0 H PHE A 79 4.258 -3.871 -4.516 1.00 0.00 H new ATOM 0 HA PHE A 79 5.192 -5.595 -2.439 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.328 -6.205 -3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.312 -6.039 -5.312 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.503 -7.901 -2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.004 -8.011 -6.280 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.108 -10.278 -1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.611 -10.387 -6.149 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.665 -11.526 -3.965 1.00 0.00 H new ATOM 1263 N ASP A 80 7.054 -5.323 -5.169 1.00 0.00 N ATOM 1264 CA ASP A 80 8.405 -5.514 -5.688 1.00 0.00 C ATOM 1265 C ASP A 80 9.422 -4.764 -4.836 1.00 0.00 C ATOM 1266 O ASP A 80 10.436 -5.327 -4.420 1.00 0.00 O ATOM 1267 CB ASP A 80 8.488 -5.036 -7.140 1.00 0.00 C ATOM 1268 CG ASP A 80 9.724 -5.556 -7.849 1.00 0.00 C ATOM 1269 OD1 ASP A 80 9.877 -6.791 -7.948 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.538 -4.726 -8.308 1.00 0.00 O ATOM 0 H ASP A 80 6.399 -4.918 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 80 8.637 -6.578 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.599 -5.363 -7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.491 -3.946 -7.162 1.00 0.00 H new ATOM 1275 N GLN A 81 9.145 -3.489 -4.575 1.00 0.00 N ATOM 1276 CA GLN A 81 10.036 -2.666 -3.767 1.00 0.00 C ATOM 1277 C GLN A 81 10.102 -3.196 -2.339 1.00 0.00 C ATOM 1278 O GLN A 81 11.153 -3.166 -1.700 1.00 0.00 O ATOM 1279 CB GLN A 81 9.564 -1.209 -3.766 1.00 0.00 C ATOM 1280 CG GLN A 81 9.871 -0.470 -5.059 1.00 0.00 C ATOM 1281 CD GLN A 81 10.100 1.015 -4.846 1.00 0.00 C ATOM 1282 OE1 GLN A 81 10.531 1.441 -3.775 1.00 0.00 O ATOM 1283 NE2 GLN A 81 9.814 1.810 -5.870 1.00 0.00 N ATOM 0 H GLN A 81 8.312 -3.006 -4.911 1.00 0.00 H new ATOM 0 HA GLN A 81 11.034 -2.710 -4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.489 -1.184 -3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.036 -0.683 -2.936 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.756 -0.907 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.045 -0.609 -5.757 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.459 1.413 -6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.950 2.818 -5.787 1.00 0.00 H new ATOM 1292 N LEU A 82 8.969 -3.694 -1.850 1.00 0.00 N ATOM 1293 CA LEU A 82 8.895 -4.245 -0.504 1.00 0.00 C ATOM 1294 C LEU A 82 9.748 -5.504 -0.399 1.00 0.00 C ATOM 1295 O LEU A 82 10.498 -5.678 0.562 1.00 0.00 O ATOM 1296 CB LEU A 82 7.438 -4.540 -0.137 1.00 0.00 C ATOM 1297 CG LEU A 82 7.218 -5.254 1.197 1.00 0.00 C ATOM 1298 CD1 LEU A 82 7.280 -6.754 1.000 1.00 0.00 C ATOM 1299 CD2 LEU A 82 8.238 -4.806 2.231 1.00 0.00 C ATOM 0 H LEU A 82 8.091 -3.726 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 82 9.286 -3.512 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.890 -3.598 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.000 -5.147 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 82 6.228 -4.989 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.122 -7.253 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.505 -7.061 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.258 -7.029 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.058 -5.330 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.242 -5.035 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.146 -3.732 2.391 1.00 0.00 H new ATOM 1311 N ARG A 83 9.651 -6.369 -1.402 1.00 0.00 N ATOM 1312 CA ARG A 83 10.437 -7.601 -1.427 1.00 0.00 C ATOM 1313 C ARG A 83 11.916 -7.274 -1.269 1.00 0.00 C ATOM 1314 O ARG A 83 12.652 -7.988 -0.589 1.00 0.00 O ATOM 1315 CB ARG A 83 10.200 -8.355 -2.740 1.00 0.00 C ATOM 1316 CG ARG A 83 9.512 -9.698 -2.560 1.00 0.00 C ATOM 1317 CD ARG A 83 10.339 -10.641 -1.703 1.00 0.00 C ATOM 1318 NE ARG A 83 11.631 -10.945 -2.315 1.00 0.00 N ATOM 1319 CZ ARG A 83 11.786 -11.773 -3.345 1.00 0.00 C ATOM 1320 NH1 ARG A 83 10.734 -12.382 -3.881 1.00 0.00 N ATOM 1321 NH2 ARG A 83 12.995 -11.995 -3.843 1.00 0.00 N ATOM 0 H ARG A 83 9.038 -6.242 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 83 10.123 -8.237 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.596 -7.734 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.158 -8.511 -3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.536 -9.548 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.337 -10.151 -3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.499 -10.194 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.786 -11.567 -1.545 1.00 0.00 H new ATOM 0 HE ARG A 83 12.462 -10.496 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.801 -12.216 -3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.859 -13.016 -4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.807 -11.531 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.113 -12.630 -4.633 1.00 0.00 H new ATOM 1335 N GLU A 84 12.338 -6.174 -1.886 1.00 0.00 N ATOM 1336 CA GLU A 84 13.723 -5.737 -1.793 1.00 0.00 C ATOM 1337 C GLU A 84 13.998 -5.234 -0.387 1.00 0.00 C ATOM 1338 O GLU A 84 15.070 -5.463 0.174 1.00 0.00 O ATOM 1339 CB GLU A 84 14.014 -4.637 -2.816 1.00 0.00 C ATOM 1340 CG GLU A 84 14.600 -5.157 -4.119 1.00 0.00 C ATOM 1341 CD GLU A 84 13.539 -5.434 -5.166 1.00 0.00 C ATOM 1342 OE1 GLU A 84 13.016 -4.464 -5.754 1.00 0.00 O ATOM 1343 OE2 GLU A 84 13.232 -6.623 -5.400 1.00 0.00 O ATOM 0 H GLU A 84 11.741 -5.572 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 84 14.377 -6.582 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.091 -4.099 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.706 -3.918 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.310 -4.428 -4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.159 -6.072 -3.922 1.00 0.00 H new ATOM 1350 N TYR A 85 13.001 -4.570 0.187 1.00 0.00 N ATOM 1351 CA TYR A 85 13.105 -4.054 1.541 1.00 0.00 C ATOM 1352 C TYR A 85 13.299 -5.221 2.508 1.00 0.00 C ATOM 1353 O TYR A 85 14.036 -5.119 3.487 1.00 0.00 O ATOM 1354 CB TYR A 85 11.847 -3.248 1.886 1.00 0.00 C ATOM 1355 CG TYR A 85 11.611 -3.057 3.366 1.00 0.00 C ATOM 1356 CD1 TYR A 85 12.208 -2.011 4.055 1.00 0.00 C ATOM 1357 CD2 TYR A 85 10.784 -3.922 4.070 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.989 -1.832 5.406 1.00 0.00 C ATOM 1359 CE2 TYR A 85 10.561 -3.749 5.421 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.165 -2.703 6.085 1.00 0.00 C ATOM 1361 OH TYR A 85 10.945 -2.529 7.433 1.00 0.00 O ATOM 0 H TYR A 85 12.109 -4.377 -0.269 1.00 0.00 H new ATOM 0 HA TYR A 85 13.964 -3.388 1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.917 -2.269 1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.980 -3.749 1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 85 12.854 -1.326 3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.308 -4.742 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 85 12.461 -1.013 5.928 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.916 -4.430 5.956 1.00 0.00 H new ATOM 0 HH TYR A 85 10.340 -3.228 7.758 1.00 0.00 H new ATOM 1371 N PHE A 86 12.649 -6.340 2.192 1.00 0.00 N ATOM 1372 CA PHE A 86 12.754 -7.552 2.996 1.00 0.00 C ATOM 1373 C PHE A 86 13.955 -8.393 2.573 1.00 0.00 C ATOM 1374 O PHE A 86 14.506 -9.151 3.373 1.00 0.00 O ATOM 1375 CB PHE A 86 11.471 -8.379 2.878 1.00 0.00 C ATOM 1376 CG PHE A 86 10.390 -7.955 3.830 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.664 -7.801 5.180 1.00 0.00 C ATOM 1378 CD2 PHE A 86 9.105 -7.722 3.381 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.672 -7.418 6.063 1.00 0.00 C ATOM 1380 CE2 PHE A 86 8.107 -7.339 4.258 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.392 -7.188 5.600 1.00 0.00 C ATOM 0 H PHE A 86 12.040 -6.430 1.378 1.00 0.00 H new ATOM 0 HA PHE A 86 12.895 -7.254 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.094 -8.305 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.708 -9.428 3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.664 -7.982 5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.877 -7.840 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.898 -7.299 7.112 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.106 -7.158 3.894 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.614 -6.890 6.287 1.00 0.00 H new ATOM 1391 N LYS A 87 14.354 -8.258 1.313 1.00 0.00 N ATOM 1392 CA LYS A 87 15.488 -9.007 0.785 1.00 0.00 C ATOM 1393 C LYS A 87 15.229 -10.509 0.859 1.00 0.00 C ATOM 1394 O LYS A 87 14.066 -10.897 1.099 1.00 0.00 O ATOM 1395 CB LYS A 87 16.762 -8.658 1.555 1.00 0.00 C ATOM 1396 CG LYS A 87 17.399 -7.350 1.116 1.00 0.00 C ATOM 1397 CD LYS A 87 18.905 -7.369 1.315 1.00 0.00 C ATOM 1398 CE LYS A 87 19.567 -6.160 0.675 1.00 0.00 C ATOM 1399 NZ LYS A 87 20.895 -5.869 1.280 1.00 0.00 N ATOM 1400 OXT LYS A 87 16.192 -11.283 0.678 1.00 0.00 O ATOM 0 H LYS A 87 13.909 -7.636 0.638 1.00 0.00 H new ATOM 0 HA LYS A 87 15.619 -8.730 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.530 -8.600 2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.485 -9.464 1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.172 -7.168 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.967 -6.525 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.132 -7.388 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.318 -8.281 0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 87 19.686 -6.335 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.919 -5.290 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.313 -5.038 0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 20.779 -5.677 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 21.522 -6.689 1.152 1.00 0.00 H new