USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 642 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 53 HIS : no HE2:sc= 0.991 K(o=3.1,f=-4.3!) USER MOD Set 1.2: A 86 THR OG1 : rot -40:sc= 2.13 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 32 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.78) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0562 USER MOD Single : A 39 MET CE :methyl -165:sc= -0.0514 (180deg=-0.396) USER MOD Single : A 59 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.17) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.85 USER MOD Single : A 66 THR OG1 : rot -160:sc= -1.87! USER MOD Single : A 68 HIS : no HD1:sc= -0.0843 X(o=-0.084,f=-0.061) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= -0.0234 (180deg=-0.118) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 1.22 K(o=1.2,f=-0.002) USER MOD Single : A 83 HIS : no HD1:sc= -0.749 X(o=-0.75,f=-0.8) USER MOD Single : A 84 MET CE :methyl -167:sc= -2.02 (180deg=-2.65) USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.905) USER MOD Single : A 87 MET CE :methyl 169:sc= -0.149 (180deg=-0.405) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.974 -7.200 2.906 1.00 0.00 N ATOM 55 CA ASN A 11 13.580 -7.297 2.513 1.00 0.00 C ATOM 56 C ASN A 11 12.687 -7.047 3.680 1.00 0.00 C ATOM 57 O ASN A 11 12.488 -7.919 4.521 1.00 0.00 O ATOM 58 CB ASN A 11 13.232 -8.653 1.882 1.00 0.00 C ATOM 59 CG ASN A 11 13.958 -8.935 0.592 1.00 0.00 C ATOM 60 OD1 ASN A 11 14.323 -8.022 -0.153 1.00 0.00 O ATOM 61 ND2 ASN A 11 14.132 -10.191 0.282 1.00 0.00 N ATOM 0 HA ASN A 11 13.421 -6.531 1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.462 -9.444 2.596 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.158 -8.691 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.581 -10.441 -0.599 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.819 -10.922 0.921 1.00 0.00 H new ATOM 68 N VAL A 12 12.165 -5.864 3.735 1.00 0.00 N ATOM 69 CA VAL A 12 11.281 -5.448 4.760 1.00 0.00 C ATOM 70 C VAL A 12 10.199 -4.633 4.128 1.00 0.00 C ATOM 71 O VAL A 12 10.458 -3.719 3.330 1.00 0.00 O ATOM 72 CB VAL A 12 11.971 -4.620 5.887 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.932 -4.010 6.812 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.894 -5.483 6.713 1.00 0.00 C ATOM 0 H VAL A 12 12.353 -5.141 3.041 1.00 0.00 H new ATOM 0 HA VAL A 12 10.889 -6.342 5.245 1.00 0.00 H new ATOM 0 HB VAL A 12 12.549 -3.834 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.432 -3.436 7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.277 -3.352 6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.340 -4.804 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.360 -4.877 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.323 -6.289 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.667 -5.907 6.072 1.00 0.00 H new ATOM 84 N THR A 13 9.033 -4.988 4.438 1.00 0.00 N ATOM 85 CA THR A 13 7.874 -4.357 4.002 1.00 0.00 C ATOM 86 C THR A 13 7.144 -3.860 5.224 1.00 0.00 C ATOM 87 O THR A 13 6.641 -4.654 6.042 1.00 0.00 O ATOM 88 CB THR A 13 7.032 -5.374 3.240 1.00 0.00 C ATOM 89 OG1 THR A 13 7.746 -5.842 2.073 1.00 0.00 O ATOM 90 CG2 THR A 13 5.687 -4.818 2.856 1.00 0.00 C ATOM 0 H THR A 13 8.848 -5.785 5.047 1.00 0.00 H new ATOM 0 HA THR A 13 8.089 -3.518 3.340 1.00 0.00 H new ATOM 0 HB THR A 13 6.851 -6.218 3.906 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.196 -6.496 1.593 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.121 -5.576 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.142 -4.531 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.823 -3.944 2.219 1.00 0.00 H new ATOM 98 N THR A 14 7.156 -2.590 5.389 1.00 0.00 N ATOM 99 CA THR A 14 6.516 -1.976 6.483 1.00 0.00 C ATOM 100 C THR A 14 5.015 -1.904 6.203 1.00 0.00 C ATOM 101 O THR A 14 4.583 -1.549 5.098 1.00 0.00 O ATOM 102 CB THR A 14 7.081 -0.576 6.670 1.00 0.00 C ATOM 103 OG1 THR A 14 8.531 -0.655 6.664 1.00 0.00 O ATOM 104 CG2 THR A 14 6.604 0.046 7.978 1.00 0.00 C ATOM 0 H THR A 14 7.620 -1.939 4.755 1.00 0.00 H new ATOM 0 HA THR A 14 6.686 -2.553 7.392 1.00 0.00 H new ATOM 0 HB THR A 14 6.730 0.057 5.855 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.908 0.242 6.782 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.026 1.046 8.081 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.516 0.110 7.975 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.929 -0.572 8.815 1.00 0.00 H new ATOM 112 N VAL A 15 4.254 -2.262 7.177 1.00 0.00 N ATOM 113 CA VAL A 15 2.837 -2.300 7.080 1.00 0.00 C ATOM 114 C VAL A 15 2.252 -1.309 8.019 1.00 0.00 C ATOM 115 O VAL A 15 2.720 -1.169 9.145 1.00 0.00 O ATOM 116 CB VAL A 15 2.301 -3.713 7.413 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.796 -3.721 7.585 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.679 -4.671 6.318 1.00 0.00 C ATOM 0 H VAL A 15 4.611 -2.545 8.090 1.00 0.00 H new ATOM 0 HA VAL A 15 2.550 -2.055 6.057 1.00 0.00 H new ATOM 0 HB VAL A 15 2.751 -4.021 8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.462 -4.732 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.519 -3.051 8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.323 -3.386 6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.300 -5.665 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.247 -4.335 5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.765 -4.709 6.227 1.00 0.00 H new ATOM 128 N LEU A 16 1.277 -0.599 7.567 1.00 0.00 N ATOM 129 CA LEU A 16 0.593 0.279 8.416 1.00 0.00 C ATOM 130 C LEU A 16 -0.845 -0.134 8.489 1.00 0.00 C ATOM 131 O LEU A 16 -1.585 -0.010 7.514 1.00 0.00 O ATOM 132 CB LEU A 16 0.678 1.700 7.956 1.00 0.00 C ATOM 133 CG LEU A 16 0.070 2.667 8.933 1.00 0.00 C ATOM 134 CD1 LEU A 16 0.937 2.807 10.149 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.178 3.973 8.305 1.00 0.00 C ATOM 0 H LEU A 16 0.942 -0.618 6.604 1.00 0.00 H new ATOM 0 HA LEU A 16 1.063 0.226 9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.724 1.963 7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.173 1.797 6.995 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.893 2.267 9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.479 3.511 10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.043 1.837 10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.920 3.175 9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.618 4.651 9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.763 4.388 7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.864 3.849 7.467 1.00 0.00 H new ATOM 147 N ILE A 17 -1.231 -0.617 9.613 1.00 0.00 N ATOM 148 CA ILE A 17 -2.572 -1.064 9.811 1.00 0.00 C ATOM 149 C ILE A 17 -3.303 0.068 10.533 1.00 0.00 C ATOM 150 O ILE A 17 -2.706 0.771 11.358 1.00 0.00 O ATOM 151 CB ILE A 17 -2.549 -2.415 10.641 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.508 -3.455 10.061 1.00 0.00 C ATOM 153 CG2 ILE A 17 -2.878 -2.204 12.107 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.968 -3.112 10.221 1.00 0.00 C ATOM 0 H ILE A 17 -0.627 -0.716 10.429 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.090 -1.284 8.878 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.527 -2.785 10.565 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.291 -3.581 9.000 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.318 -4.415 10.541 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.848 -3.161 12.628 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.148 -1.527 12.550 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.875 -1.773 12.198 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.578 -3.902 9.782 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.205 -3.016 11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.178 -2.169 9.716 1.00 0.00 H new ATOM 166 N ARG A 18 -4.513 0.332 10.119 1.00 0.00 N ATOM 167 CA ARG A 18 -5.330 1.346 10.741 1.00 0.00 C ATOM 168 C ARG A 18 -6.425 0.692 11.521 1.00 0.00 C ATOM 169 O ARG A 18 -7.400 0.202 10.961 1.00 0.00 O ATOM 170 CB ARG A 18 -5.909 2.332 9.712 1.00 0.00 C ATOM 171 CG ARG A 18 -4.956 3.434 9.250 1.00 0.00 C ATOM 172 CD ARG A 18 -3.700 2.911 8.573 1.00 0.00 C ATOM 173 NE ARG A 18 -3.985 2.171 7.338 1.00 0.00 N ATOM 174 CZ ARG A 18 -3.769 2.644 6.110 1.00 0.00 C ATOM 175 NH1 ARG A 18 -3.370 3.901 5.936 1.00 0.00 N ATOM 176 NH2 ARG A 18 -3.971 1.866 5.057 1.00 0.00 N ATOM 0 H ARG A 18 -4.963 -0.149 9.340 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.699 1.927 11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.236 1.768 8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.796 2.799 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.483 4.092 8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.669 4.039 10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.040 3.748 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.164 2.261 9.265 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.374 1.232 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.228 4.507 6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.206 4.258 4.995 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.291 0.906 5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.806 2.227 4.117 1.00 0.00 H new ATOM 190 N ARG A 19 -6.257 0.667 12.801 1.00 0.00 N ATOM 191 CA ARG A 19 -7.191 0.021 13.658 1.00 0.00 C ATOM 192 C ARG A 19 -7.991 1.037 14.475 1.00 0.00 C ATOM 193 O ARG A 19 -7.438 1.698 15.327 1.00 0.00 O ATOM 194 CB ARG A 19 -6.461 -0.949 14.569 1.00 0.00 C ATOM 195 CG ARG A 19 -7.378 -1.665 15.515 1.00 0.00 C ATOM 196 CD ARG A 19 -6.661 -2.759 16.240 1.00 0.00 C ATOM 197 NE ARG A 19 -7.584 -3.560 17.006 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.240 -4.497 17.866 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.020 -4.542 18.333 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.148 -5.345 18.302 1.00 0.00 N ATOM 0 H ARG A 19 -5.466 1.095 13.282 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.901 -0.533 13.043 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.931 -1.682 13.961 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.709 -0.406 15.141 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.788 -0.956 16.235 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.220 -2.082 14.963 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.133 -3.390 15.525 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.909 -2.330 16.902 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.580 -3.388 16.871 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.333 -3.851 18.032 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.755 -5.268 18.999 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.111 -5.274 17.974 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.888 -6.073 18.968 1.00 0.00 H new ATOM 214 N PRO A 20 -9.295 1.184 14.218 1.00 0.00 N ATOM 215 CA PRO A 20 -10.141 2.150 14.951 1.00 0.00 C ATOM 216 C PRO A 20 -10.177 1.912 16.481 1.00 0.00 C ATOM 217 O PRO A 20 -10.044 2.854 17.262 1.00 0.00 O ATOM 218 CB PRO A 20 -11.533 1.934 14.346 1.00 0.00 C ATOM 219 CG PRO A 20 -11.273 1.342 13.004 1.00 0.00 C ATOM 220 CD PRO A 20 -10.055 0.481 13.166 1.00 0.00 C ATOM 0 HA PRO A 20 -9.757 3.165 14.847 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.134 1.267 14.964 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.080 2.873 14.265 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.125 0.754 12.664 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.106 2.120 12.259 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.314 -0.535 13.465 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.487 0.405 12.239 1.00 0.00 H new ATOM 228 N ASP A 21 -10.318 0.659 16.893 1.00 0.00 N ATOM 229 CA ASP A 21 -10.444 0.298 18.312 1.00 0.00 C ATOM 230 C ASP A 21 -10.260 -1.218 18.388 1.00 0.00 C ATOM 231 O ASP A 21 -10.046 -1.869 17.352 1.00 0.00 O ATOM 232 CB ASP A 21 -11.875 0.667 18.816 1.00 0.00 C ATOM 233 CG ASP A 21 -12.092 0.709 20.345 1.00 0.00 C ATOM 234 OD1 ASP A 21 -11.370 0.050 21.103 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.039 1.378 20.793 1.00 0.00 O ATOM 0 H ASP A 21 -10.349 -0.140 16.259 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.711 0.824 18.924 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.135 1.645 18.410 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.578 -0.051 18.394 1.00 0.00 H new ATOM 240 N LEU A 22 -10.395 -1.766 19.565 1.00 0.00 N ATOM 241 CA LEU A 22 -10.276 -3.192 19.839 1.00 0.00 C ATOM 242 C LEU A 22 -11.524 -3.915 19.399 1.00 0.00 C ATOM 243 O LEU A 22 -11.565 -5.151 19.328 1.00 0.00 O ATOM 244 CB LEU A 22 -10.054 -3.390 21.316 1.00 0.00 C ATOM 245 CG LEU A 22 -8.873 -2.623 21.869 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.713 -2.904 23.325 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.607 -2.981 21.118 1.00 0.00 C ATOM 0 H LEU A 22 -10.599 -1.218 20.401 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.431 -3.600 19.284 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.954 -3.088 21.852 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.908 -4.452 21.512 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.059 -1.557 21.737 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.860 -2.346 23.712 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.615 -2.600 23.855 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.546 -3.971 23.474 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.768 -2.419 21.530 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.413 -4.049 21.219 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.727 -2.733 20.063 1.00 0.00 H new ATOM 259 N ARG A 23 -12.534 -3.111 19.061 1.00 0.00 N ATOM 260 CA ARG A 23 -13.815 -3.580 18.546 1.00 0.00 C ATOM 261 C ARG A 23 -13.583 -4.151 17.146 1.00 0.00 C ATOM 262 O ARG A 23 -14.379 -4.922 16.615 1.00 0.00 O ATOM 263 CB ARG A 23 -14.787 -2.397 18.457 1.00 0.00 C ATOM 264 CG ARG A 23 -14.858 -1.568 19.729 1.00 0.00 C ATOM 265 CD ARG A 23 -15.779 -0.375 19.580 1.00 0.00 C ATOM 266 NE ARG A 23 -15.651 0.554 20.719 1.00 0.00 N ATOM 267 CZ ARG A 23 -16.667 1.025 21.458 1.00 0.00 C ATOM 268 NH1 ARG A 23 -17.918 0.673 21.186 1.00 0.00 N ATOM 269 NH2 ARG A 23 -16.432 1.850 22.466 1.00 0.00 N ATOM 0 H ARG A 23 -12.480 -2.096 19.141 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.235 -4.342 19.203 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.487 -1.753 17.630 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.783 -2.773 18.223 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.206 -2.194 20.550 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.858 -1.223 19.993 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.548 0.150 18.653 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.811 -0.718 19.503 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.711 0.864 20.965 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.112 0.040 20.410 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.685 1.036 21.753 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.476 2.130 22.683 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.207 2.206 23.025 1.00 0.00 H new ATOM 283 N TYR A 24 -12.468 -3.752 16.572 1.00 0.00 N ATOM 284 CA TYR A 24 -12.020 -4.196 15.303 1.00 0.00 C ATOM 285 C TYR A 24 -10.779 -4.956 15.579 1.00 0.00 C ATOM 286 O TYR A 24 -10.164 -4.745 16.615 1.00 0.00 O ATOM 287 CB TYR A 24 -11.646 -3.006 14.403 1.00 0.00 C ATOM 288 CG TYR A 24 -12.794 -2.187 13.862 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.546 -1.352 14.679 1.00 0.00 C ATOM 290 CD2 TYR A 24 -13.109 -2.242 12.512 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.580 -0.603 14.164 1.00 0.00 C ATOM 292 CE2 TYR A 24 -14.133 -1.495 11.986 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.869 -0.678 12.809 1.00 0.00 C ATOM 294 OH TYR A 24 -15.893 0.077 12.274 1.00 0.00 O ATOM 0 H TYR A 24 -11.835 -3.082 17.009 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.794 -4.776 14.801 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.990 -2.344 14.968 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.068 -3.384 13.559 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.316 -1.290 15.732 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.536 -2.886 11.861 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.162 0.038 14.810 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.359 -1.549 10.931 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.958 -0.095 11.312 1.00 0.00 H new ATOM 304 N GLN A 25 -10.403 -5.810 14.717 1.00 0.00 N ATOM 305 CA GLN A 25 -9.166 -6.502 14.883 1.00 0.00 C ATOM 306 C GLN A 25 -8.301 -6.236 13.695 1.00 0.00 C ATOM 307 O GLN A 25 -8.616 -5.375 12.905 1.00 0.00 O ATOM 308 CB GLN A 25 -9.356 -7.991 15.130 1.00 0.00 C ATOM 309 CG GLN A 25 -10.247 -8.694 14.134 1.00 0.00 C ATOM 310 CD GLN A 25 -10.124 -10.202 14.237 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.720 -10.687 15.384 1.00 0.00 O flip ATOM 312 NE2 GLN A 25 -10.335 -10.916 13.263 1.00 0.00 N flip ATOM 0 H GLN A 25 -10.928 -6.058 13.878 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.673 -6.125 15.779 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.378 -8.473 15.124 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.773 -8.128 16.128 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.283 -8.401 14.303 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.986 -8.376 13.125 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.649 -10.502 12.385 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.196 -11.924 13.330 1.00 0.00 H new ATOM 321 N LEU A 26 -7.243 -6.963 13.570 1.00 0.00 N ATOM 322 CA LEU A 26 -6.290 -6.737 12.523 1.00 0.00 C ATOM 323 C LEU A 26 -6.866 -7.259 11.203 1.00 0.00 C ATOM 324 O LEU A 26 -7.035 -6.511 10.242 1.00 0.00 O ATOM 325 CB LEU A 26 -4.957 -7.460 12.846 1.00 0.00 C ATOM 326 CG LEU A 26 -4.329 -7.300 14.273 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.250 -5.847 14.725 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.007 -8.201 15.332 1.00 0.00 C ATOM 0 H LEU A 26 -7.008 -7.737 14.192 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.090 -5.669 12.438 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.110 -8.525 12.672 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.216 -7.122 12.121 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.301 -7.651 14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.807 -5.799 15.720 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.634 -5.281 14.026 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.252 -5.420 14.753 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.530 -8.047 16.300 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.064 -7.946 15.404 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.905 -9.246 15.040 1.00 0.00 H new ATOM 340 N GLY A 27 -7.203 -8.528 11.185 1.00 0.00 N ATOM 341 CA GLY A 27 -7.753 -9.115 9.995 1.00 0.00 C ATOM 342 C GLY A 27 -6.794 -10.080 9.354 1.00 0.00 C ATOM 343 O GLY A 27 -6.898 -10.376 8.161 1.00 0.00 O ATOM 0 H GLY A 27 -7.106 -9.165 11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.680 -9.633 10.240 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.006 -8.328 9.285 1.00 0.00 H new ATOM 347 N PHE A 28 -5.845 -10.551 10.126 1.00 0.00 N ATOM 348 CA PHE A 28 -4.911 -11.533 9.652 1.00 0.00 C ATOM 349 C PHE A 28 -4.586 -12.489 10.779 1.00 0.00 C ATOM 350 O PHE A 28 -4.615 -12.108 11.958 1.00 0.00 O ATOM 351 CB PHE A 28 -3.618 -10.899 9.054 1.00 0.00 C ATOM 352 CG PHE A 28 -2.689 -10.220 10.038 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.857 -8.894 10.377 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.628 -10.914 10.599 1.00 0.00 C ATOM 355 CE1 PHE A 28 -1.996 -8.271 11.255 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.769 -10.296 11.479 1.00 0.00 C ATOM 357 CZ PHE A 28 -0.956 -8.972 11.808 1.00 0.00 C ATOM 0 H PHE A 28 -5.702 -10.264 11.094 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.378 -12.078 8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.060 -11.681 8.539 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.912 -10.168 8.300 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.676 -8.335 9.948 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.474 -11.952 10.342 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.141 -7.231 11.507 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.052 -10.849 11.911 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.284 -8.487 12.501 1.00 0.00 H new ATOM 367 N SER A 29 -4.313 -13.696 10.430 1.00 0.00 N ATOM 368 CA SER A 29 -3.981 -14.712 11.375 1.00 0.00 C ATOM 369 C SER A 29 -2.465 -14.849 11.373 1.00 0.00 C ATOM 370 O SER A 29 -1.857 -14.933 10.295 1.00 0.00 O ATOM 371 CB SER A 29 -4.650 -16.020 10.944 1.00 0.00 C ATOM 372 OG SER A 29 -4.539 -17.037 11.924 1.00 0.00 O ATOM 0 H SER A 29 -4.313 -14.015 9.461 1.00 0.00 H new ATOM 0 HA SER A 29 -4.327 -14.465 12.379 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.704 -15.834 10.737 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.198 -16.366 10.014 1.00 0.00 H new ATOM 0 HG SER A 29 -4.982 -17.850 11.603 1.00 0.00 H new ATOM 378 N VAL A 30 -1.849 -14.854 12.535 1.00 0.00 N ATOM 379 CA VAL A 30 -0.418 -14.909 12.604 1.00 0.00 C ATOM 380 C VAL A 30 0.009 -16.122 13.449 1.00 0.00 C ATOM 381 O VAL A 30 -0.627 -16.444 14.464 1.00 0.00 O ATOM 382 CB VAL A 30 0.165 -13.562 13.189 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.354 -13.573 14.697 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.427 -13.147 12.491 1.00 0.00 C ATOM 0 H VAL A 30 -2.321 -14.821 13.439 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.012 -15.027 11.599 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.601 -12.813 12.988 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.757 -12.613 15.020 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.606 -13.745 15.183 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.047 -14.369 14.971 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.793 -12.216 12.925 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.181 -13.925 12.610 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.224 -12.998 11.430 1.00 0.00 H new ATOM 394 N GLN A 31 1.023 -16.813 13.008 1.00 0.00 N ATOM 395 CA GLN A 31 1.568 -17.917 13.743 1.00 0.00 C ATOM 396 C GLN A 31 3.005 -17.625 14.115 1.00 0.00 C ATOM 397 O GLN A 31 3.873 -17.561 13.255 1.00 0.00 O ATOM 398 CB GLN A 31 1.440 -19.256 12.985 1.00 0.00 C ATOM 399 CG GLN A 31 2.050 -19.297 11.582 1.00 0.00 C ATOM 400 CD GLN A 31 1.925 -20.668 10.948 1.00 0.00 C ATOM 401 OE1 GLN A 31 0.976 -21.411 11.217 1.00 0.00 O ATOM 402 NE2 GLN A 31 2.869 -21.030 10.129 1.00 0.00 N ATOM 0 H GLN A 31 1.496 -16.624 12.124 1.00 0.00 H new ATOM 0 HA GLN A 31 0.982 -18.032 14.655 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.908 -20.036 13.585 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.382 -19.506 12.906 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.556 -18.559 10.950 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.102 -19.017 11.636 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.640 -20.394 9.927 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.838 -21.950 9.689 1.00 0.00 H new ATOM 411 N ASN A 32 3.217 -17.324 15.392 1.00 0.00 N ATOM 412 CA ASN A 32 4.569 -17.059 15.964 1.00 0.00 C ATOM 413 C ASN A 32 5.224 -15.838 15.283 1.00 0.00 C ATOM 414 O ASN A 32 6.439 -15.663 15.290 1.00 0.00 O ATOM 415 CB ASN A 32 5.461 -18.323 15.839 1.00 0.00 C ATOM 416 CG ASN A 32 6.752 -18.259 16.658 1.00 0.00 C ATOM 417 OD1 ASN A 32 6.809 -17.642 17.720 1.00 0.00 O ATOM 418 ND2 ASN A 32 7.785 -18.893 16.173 1.00 0.00 N ATOM 0 H ASN A 32 2.465 -17.252 16.077 1.00 0.00 H new ATOM 0 HA ASN A 32 4.461 -16.824 17.023 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.886 -19.193 16.155 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.716 -18.473 14.790 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.671 -18.885 16.678 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.706 -19.396 15.289 1.00 0.00 H new ATOM 425 N GLY A 33 4.391 -14.986 14.723 1.00 0.00 N ATOM 426 CA GLY A 33 4.878 -13.808 14.055 1.00 0.00 C ATOM 427 C GLY A 33 4.788 -13.920 12.550 1.00 0.00 C ATOM 428 O GLY A 33 5.061 -12.966 11.842 1.00 0.00 O ATOM 0 H GLY A 33 3.376 -15.091 14.719 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.305 -12.942 14.387 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.915 -13.633 14.342 1.00 0.00 H new ATOM 432 N ILE A 34 4.389 -15.071 12.052 1.00 0.00 N ATOM 433 CA ILE A 34 4.285 -15.253 10.609 1.00 0.00 C ATOM 434 C ILE A 34 2.833 -15.252 10.191 1.00 0.00 C ATOM 435 O ILE A 34 2.044 -16.058 10.668 1.00 0.00 O ATOM 436 CB ILE A 34 4.980 -16.544 10.033 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.489 -16.590 10.311 1.00 0.00 C ATOM 438 CG2 ILE A 34 4.777 -16.595 8.527 1.00 0.00 C ATOM 439 CD1 ILE A 34 6.889 -16.828 11.740 1.00 0.00 C ATOM 0 H ILE A 34 4.134 -15.886 12.609 1.00 0.00 H new ATOM 0 HA ILE A 34 4.830 -14.409 10.187 1.00 0.00 H new ATOM 0 HB ILE A 34 4.520 -17.396 10.533 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.928 -17.376 9.696 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.927 -15.647 9.984 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.257 -17.487 8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.710 -16.625 8.304 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.218 -15.709 8.070 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.976 -16.841 11.816 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.490 -16.030 12.367 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.491 -17.786 12.075 1.00 0.00 H new ATOM 451 N ILE A 35 2.492 -14.328 9.348 1.00 0.00 N ATOM 452 CA ILE A 35 1.159 -14.191 8.815 1.00 0.00 C ATOM 453 C ILE A 35 0.769 -15.452 8.027 1.00 0.00 C ATOM 454 O ILE A 35 1.388 -15.784 7.001 1.00 0.00 O ATOM 455 CB ILE A 35 1.107 -12.953 7.921 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.531 -11.742 8.762 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.309 -12.759 7.365 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.930 -10.549 7.962 1.00 0.00 C ATOM 0 H ILE A 35 3.145 -13.627 8.998 1.00 0.00 H new ATOM 0 HA ILE A 35 0.446 -14.073 9.631 1.00 0.00 H new ATOM 0 HB ILE A 35 1.782 -13.069 7.073 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.707 -11.465 9.420 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.365 -12.032 9.401 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.332 -11.874 6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.593 -13.633 6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.010 -12.632 8.190 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.215 -9.739 8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.776 -10.805 7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.092 -10.229 7.343 1.00 0.00 H new ATOM 470 N CYS A 36 -0.222 -16.144 8.531 1.00 0.00 N ATOM 471 CA CYS A 36 -0.668 -17.402 7.988 1.00 0.00 C ATOM 472 C CYS A 36 -1.887 -17.209 7.085 1.00 0.00 C ATOM 473 O CYS A 36 -2.082 -17.947 6.112 1.00 0.00 O ATOM 474 CB CYS A 36 -0.996 -18.356 9.152 1.00 0.00 C ATOM 475 SG CYS A 36 -1.483 -20.030 8.677 1.00 0.00 S ATOM 0 H CYS A 36 -0.752 -15.842 9.348 1.00 0.00 H new ATOM 0 HA CYS A 36 0.124 -17.832 7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.123 -18.421 9.801 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.800 -17.917 9.742 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.729 -20.730 9.745 1.00 0.00 H new ATOM 481 N SER A 37 -2.710 -16.228 7.398 1.00 0.00 N ATOM 482 CA SER A 37 -3.916 -15.970 6.626 1.00 0.00 C ATOM 483 C SER A 37 -4.252 -14.484 6.697 1.00 0.00 C ATOM 484 O SER A 37 -3.847 -13.808 7.645 1.00 0.00 O ATOM 485 CB SER A 37 -5.086 -16.792 7.184 1.00 0.00 C ATOM 486 OG SER A 37 -4.749 -18.175 7.297 1.00 0.00 O ATOM 0 H SER A 37 -2.568 -15.593 8.183 1.00 0.00 H new ATOM 0 HA SER A 37 -3.747 -16.258 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.370 -16.405 8.163 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.953 -16.680 6.533 1.00 0.00 H new ATOM 0 HG SER A 37 -5.515 -18.670 7.657 1.00 0.00 H new ATOM 492 N LEU A 38 -4.957 -13.991 5.709 1.00 0.00 N ATOM 493 CA LEU A 38 -5.364 -12.608 5.632 1.00 0.00 C ATOM 494 C LEU A 38 -6.820 -12.529 5.179 1.00 0.00 C ATOM 495 O LEU A 38 -7.247 -13.292 4.307 1.00 0.00 O ATOM 496 CB LEU A 38 -4.465 -11.870 4.635 1.00 0.00 C ATOM 497 CG LEU A 38 -4.807 -10.410 4.341 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.688 -9.565 5.589 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.909 -9.875 3.261 1.00 0.00 C ATOM 0 H LEU A 38 -5.271 -14.552 4.917 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.271 -12.142 6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.442 -11.910 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.482 -12.418 3.693 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.840 -10.363 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.937 -8.530 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.375 -9.939 6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.667 -9.616 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.162 -8.834 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.871 -9.940 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.042 -10.463 2.353 1.00 0.00 H new ATOM 511 N MET A 39 -7.576 -11.643 5.784 1.00 0.00 N ATOM 512 CA MET A 39 -8.962 -11.453 5.419 1.00 0.00 C ATOM 513 C MET A 39 -9.075 -10.370 4.352 1.00 0.00 C ATOM 514 O MET A 39 -8.706 -9.205 4.590 1.00 0.00 O ATOM 515 CB MET A 39 -9.806 -11.063 6.632 1.00 0.00 C ATOM 516 CG MET A 39 -11.280 -10.857 6.305 1.00 0.00 C ATOM 517 SD MET A 39 -12.244 -10.253 7.707 1.00 0.00 S ATOM 518 CE MET A 39 -12.035 -11.601 8.877 1.00 0.00 C ATOM 0 H MET A 39 -7.252 -11.037 6.538 1.00 0.00 H new ATOM 0 HA MET A 39 -9.338 -12.398 5.027 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.716 -11.839 7.392 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.406 -10.145 7.063 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.367 -10.149 5.481 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.704 -11.800 5.961 1.00 0.00 H new ATOM 0 HE1 MET A 39 -12.772 -11.508 9.674 1.00 0.00 H new ATOM 0 HE2 MET A 39 -12.173 -12.553 8.364 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.033 -11.561 9.303 1.00 0.00 H new ATOM 528 N ARG A 40 -9.597 -10.750 3.206 1.00 0.00 N ATOM 529 CA ARG A 40 -9.775 -9.847 2.094 1.00 0.00 C ATOM 530 C ARG A 40 -10.855 -8.835 2.441 1.00 0.00 C ATOM 531 O ARG A 40 -11.927 -9.199 2.956 1.00 0.00 O ATOM 532 CB ARG A 40 -10.097 -10.641 0.793 1.00 0.00 C ATOM 533 CG ARG A 40 -10.192 -9.803 -0.497 1.00 0.00 C ATOM 534 CD ARG A 40 -11.568 -9.182 -0.713 1.00 0.00 C ATOM 535 NE ARG A 40 -11.566 -8.193 -1.805 1.00 0.00 N ATOM 536 CZ ARG A 40 -11.922 -8.423 -3.087 1.00 0.00 C ATOM 537 NH1 ARG A 40 -12.103 -9.667 -3.539 1.00 0.00 N ATOM 538 NH2 ARG A 40 -12.047 -7.402 -3.929 1.00 0.00 N ATOM 0 H ARG A 40 -9.912 -11.702 3.020 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.851 -9.301 1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.329 -11.401 0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.042 -11.165 0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.445 -9.010 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.948 -10.435 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.288 -9.968 -0.938 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.897 -8.703 0.209 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.268 -7.246 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.972 -10.461 -2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.372 -9.823 -4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.874 -6.450 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.316 -7.570 -4.898 1.00 0.00 H new ATOM 552 N GLY A 41 -10.556 -7.582 2.205 1.00 0.00 N ATOM 553 CA GLY A 41 -11.466 -6.513 2.513 1.00 0.00 C ATOM 554 C GLY A 41 -11.237 -5.982 3.907 1.00 0.00 C ATOM 555 O GLY A 41 -11.803 -4.962 4.293 1.00 0.00 O ATOM 0 H GLY A 41 -9.674 -7.277 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.342 -5.707 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.492 -6.868 2.421 1.00 0.00 H new ATOM 559 N GLY A 42 -10.396 -6.672 4.655 1.00 0.00 N ATOM 560 CA GLY A 42 -10.124 -6.296 6.010 1.00 0.00 C ATOM 561 C GLY A 42 -9.041 -5.254 6.104 1.00 0.00 C ATOM 562 O GLY A 42 -8.258 -5.058 5.158 1.00 0.00 O ATOM 0 H GLY A 42 -9.892 -7.499 4.335 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.035 -5.913 6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.828 -7.178 6.578 1.00 0.00 H new ATOM 566 N ILE A 43 -8.971 -4.608 7.248 1.00 0.00 N ATOM 567 CA ILE A 43 -7.994 -3.566 7.507 1.00 0.00 C ATOM 568 C ILE A 43 -6.553 -4.016 7.368 1.00 0.00 C ATOM 569 O ILE A 43 -5.699 -3.215 7.002 1.00 0.00 O ATOM 570 CB ILE A 43 -8.213 -2.804 8.847 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.963 -3.647 9.900 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.887 -1.476 8.604 1.00 0.00 C ATOM 573 CD1 ILE A 43 -9.187 -2.923 11.223 1.00 0.00 C ATOM 0 H ILE A 43 -9.595 -4.791 8.033 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.180 -2.852 6.704 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.227 -2.610 9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.929 -3.945 9.492 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.400 -4.561 10.088 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.030 -0.961 9.554 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.263 -0.866 7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.855 -1.641 8.131 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.720 -3.579 11.911 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.225 -2.648 11.655 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.777 -2.023 11.050 1.00 0.00 H new ATOM 585 N ALA A 44 -6.278 -5.279 7.647 1.00 0.00 N ATOM 586 CA ALA A 44 -4.935 -5.813 7.510 1.00 0.00 C ATOM 587 C ALA A 44 -4.502 -5.823 6.054 1.00 0.00 C ATOM 588 O ALA A 44 -3.377 -5.435 5.729 1.00 0.00 O ATOM 589 CB ALA A 44 -4.861 -7.194 8.092 1.00 0.00 C ATOM 0 H ALA A 44 -6.970 -5.955 7.971 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.252 -5.166 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.848 -7.581 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.123 -7.158 9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.558 -7.848 7.568 1.00 0.00 H new ATOM 595 N GLU A 45 -5.409 -6.221 5.179 1.00 0.00 N ATOM 596 CA GLU A 45 -5.145 -6.246 3.749 1.00 0.00 C ATOM 597 C GLU A 45 -4.903 -4.820 3.285 1.00 0.00 C ATOM 598 O GLU A 45 -3.954 -4.531 2.556 1.00 0.00 O ATOM 599 CB GLU A 45 -6.336 -6.854 3.016 1.00 0.00 C ATOM 600 CG GLU A 45 -6.166 -6.950 1.516 1.00 0.00 C ATOM 601 CD GLU A 45 -7.396 -7.474 0.847 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.419 -6.748 0.817 1.00 0.00 O ATOM 603 OE2 GLU A 45 -7.376 -8.603 0.335 1.00 0.00 O ATOM 0 H GLU A 45 -6.345 -6.535 5.437 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.267 -6.855 3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.520 -7.852 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.222 -6.257 3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.926 -5.966 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.323 -7.602 1.287 1.00 0.00 H new ATOM 610 N ARG A 46 -5.717 -3.923 3.812 1.00 0.00 N ATOM 611 CA ARG A 46 -5.623 -2.495 3.525 1.00 0.00 C ATOM 612 C ARG A 46 -4.405 -1.870 4.209 1.00 0.00 C ATOM 613 O ARG A 46 -4.072 -0.708 3.984 1.00 0.00 O ATOM 614 CB ARG A 46 -6.898 -1.789 3.973 1.00 0.00 C ATOM 615 CG ARG A 46 -8.126 -2.264 3.234 1.00 0.00 C ATOM 616 CD ARG A 46 -9.383 -1.623 3.751 1.00 0.00 C ATOM 617 NE ARG A 46 -10.534 -2.014 2.943 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.770 -1.562 3.093 1.00 0.00 C ATOM 619 NH1 ARG A 46 -12.075 -0.765 4.110 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.699 -1.927 2.230 1.00 0.00 N ATOM 0 H ARG A 46 -6.470 -4.163 4.457 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.503 -2.372 2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.039 -1.949 5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.784 -0.715 3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.017 -2.042 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.208 -3.347 3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.545 -1.915 4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.275 -0.538 3.738 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.373 -2.693 2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.356 -0.497 4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.029 -0.420 4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.462 -2.550 1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.655 -1.586 2.335 1.00 0.00 H new ATOM 634 N GLY A 47 -3.766 -2.637 5.051 1.00 0.00 N ATOM 635 CA GLY A 47 -2.592 -2.188 5.731 1.00 0.00 C ATOM 636 C GLY A 47 -1.350 -2.563 4.968 1.00 0.00 C ATOM 637 O GLY A 47 -0.293 -1.931 5.112 1.00 0.00 O ATOM 0 H GLY A 47 -4.049 -3.590 5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.632 -1.106 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.556 -2.625 6.729 1.00 0.00 H new ATOM 641 N GLY A 48 -1.473 -3.573 4.131 1.00 0.00 N ATOM 642 CA GLY A 48 -0.348 -4.027 3.357 1.00 0.00 C ATOM 643 C GLY A 48 0.173 -5.356 3.845 1.00 0.00 C ATOM 644 O GLY A 48 1.225 -5.826 3.392 1.00 0.00 O ATOM 0 H GLY A 48 -2.338 -4.089 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.639 -4.114 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.449 -3.285 3.406 1.00 0.00 H new ATOM 648 N VAL A 49 -0.563 -5.965 4.756 1.00 0.00 N ATOM 649 CA VAL A 49 -0.213 -7.249 5.322 1.00 0.00 C ATOM 650 C VAL A 49 -0.276 -8.323 4.233 1.00 0.00 C ATOM 651 O VAL A 49 -1.187 -8.324 3.422 1.00 0.00 O ATOM 652 CB VAL A 49 -1.209 -7.599 6.465 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.055 -9.012 6.965 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.068 -6.640 7.629 1.00 0.00 C ATOM 0 H VAL A 49 -1.430 -5.575 5.126 1.00 0.00 H new ATOM 0 HA VAL A 49 0.799 -7.207 5.725 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.204 -7.504 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.776 -9.197 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.232 -9.709 6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.045 -9.154 7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.777 -6.911 8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.054 -6.694 8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.272 -5.624 7.290 1.00 0.00 H new ATOM 664 N ARG A 50 0.715 -9.191 4.194 1.00 0.00 N ATOM 665 CA ARG A 50 0.747 -10.288 3.245 1.00 0.00 C ATOM 666 C ARG A 50 1.108 -11.538 3.950 1.00 0.00 C ATOM 667 O ARG A 50 1.912 -11.536 4.882 1.00 0.00 O ATOM 668 CB ARG A 50 1.722 -10.053 2.090 1.00 0.00 C ATOM 669 CG ARG A 50 1.392 -8.875 1.199 1.00 0.00 C ATOM 670 CD ARG A 50 0.012 -8.981 0.545 1.00 0.00 C ATOM 671 NE ARG A 50 -0.167 -10.202 -0.256 1.00 0.00 N ATOM 672 CZ ARG A 50 -0.475 -10.228 -1.563 1.00 0.00 C ATOM 673 NH1 ARG A 50 -0.344 -9.132 -2.311 1.00 0.00 N ATOM 674 NH2 ARG A 50 -0.863 -11.357 -2.125 1.00 0.00 N ATOM 0 H ARG A 50 1.521 -9.157 4.818 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.249 -10.363 2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.721 -9.908 2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.758 -10.953 1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.439 -7.959 1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.150 -8.793 0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.752 -8.950 1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.147 -8.111 -0.093 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.048 -11.098 0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.008 -8.265 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.580 -9.160 -3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.929 -12.208 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.097 -11.378 -3.117 1.00 0.00 H new ATOM 688 N VAL A 51 0.551 -12.576 3.484 1.00 0.00 N ATOM 689 CA VAL A 51 0.703 -13.875 4.041 1.00 0.00 C ATOM 690 C VAL A 51 2.047 -14.436 3.635 1.00 0.00 C ATOM 691 O VAL A 51 2.502 -14.223 2.510 1.00 0.00 O ATOM 692 CB VAL A 51 -0.449 -14.767 3.554 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.282 -16.206 3.992 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.752 -14.234 4.076 1.00 0.00 C ATOM 0 H VAL A 51 -0.056 -12.556 2.664 1.00 0.00 H new ATOM 0 HA VAL A 51 0.667 -13.833 5.130 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.440 -14.750 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.120 -16.798 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.648 -16.604 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.254 -16.254 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.569 -14.867 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.733 -14.229 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.902 -13.218 3.712 1.00 0.00 H new ATOM 704 N GLY A 52 2.692 -15.101 4.562 1.00 0.00 N ATOM 705 CA GLY A 52 4.017 -15.636 4.319 1.00 0.00 C ATOM 706 C GLY A 52 5.069 -14.692 4.840 1.00 0.00 C ATOM 707 O GLY A 52 6.265 -14.954 4.767 1.00 0.00 O ATOM 0 H GLY A 52 2.323 -15.287 5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.118 -16.607 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.161 -15.797 3.251 1.00 0.00 H new ATOM 711 N HIS A 53 4.610 -13.584 5.358 1.00 0.00 N ATOM 712 CA HIS A 53 5.474 -12.592 5.921 1.00 0.00 C ATOM 713 C HIS A 53 5.595 -12.767 7.402 1.00 0.00 C ATOM 714 O HIS A 53 4.620 -13.077 8.081 1.00 0.00 O ATOM 715 CB HIS A 53 4.980 -11.174 5.637 1.00 0.00 C ATOM 716 CG HIS A 53 5.376 -10.592 4.318 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.457 -9.230 4.094 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.688 -11.175 3.145 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.787 -9.015 2.842 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.936 -10.171 2.243 1.00 0.00 N ATOM 0 H HIS A 53 3.619 -13.347 5.399 1.00 0.00 H new ATOM 0 HA HIS A 53 6.447 -12.727 5.449 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.892 -11.170 5.701 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.348 -10.518 6.426 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.287 -8.506 4.792 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.734 -12.236 2.950 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.915 -8.046 2.382 1.00 0.00 H new ATOM 729 N ARG A 54 6.778 -12.567 7.899 1.00 0.00 N ATOM 730 CA ARG A 54 7.001 -12.569 9.306 1.00 0.00 C ATOM 731 C ARG A 54 7.091 -11.154 9.757 1.00 0.00 C ATOM 732 O ARG A 54 7.778 -10.345 9.128 1.00 0.00 O ATOM 733 CB ARG A 54 8.274 -13.318 9.728 1.00 0.00 C ATOM 734 CG ARG A 54 8.497 -13.228 11.231 1.00 0.00 C ATOM 735 CD ARG A 54 9.608 -14.104 11.758 1.00 0.00 C ATOM 736 NE ARG A 54 9.750 -13.864 13.196 1.00 0.00 N ATOM 737 CZ ARG A 54 9.512 -14.761 14.180 1.00 0.00 C ATOM 738 NH1 ARG A 54 9.353 -16.048 13.914 1.00 0.00 N ATOM 739 NH2 ARG A 54 9.500 -14.365 15.439 1.00 0.00 N ATOM 0 H ARG A 54 7.613 -12.398 7.338 1.00 0.00 H new ATOM 0 HA ARG A 54 6.169 -13.097 9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.198 -14.364 9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.134 -12.900 9.205 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.715 -12.192 11.491 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.570 -13.495 11.739 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.383 -15.154 11.570 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.542 -13.881 11.243 1.00 0.00 H new ATOM 0 HE ARG A 54 10.057 -12.934 13.482 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.409 -16.381 12.951 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.174 -16.707 14.672 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.670 -13.385 15.667 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.321 -15.039 16.184 1.00 0.00 H new ATOM 753 N ILE A 55 6.390 -10.849 10.781 1.00 0.00 N ATOM 754 CA ILE A 55 6.430 -9.546 11.360 1.00 0.00 C ATOM 755 C ILE A 55 7.620 -9.456 12.287 1.00 0.00 C ATOM 756 O ILE A 55 7.825 -10.321 13.143 1.00 0.00 O ATOM 757 CB ILE A 55 5.161 -9.237 12.155 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.929 -9.500 11.308 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.177 -7.784 12.622 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.667 -9.184 12.018 1.00 0.00 C ATOM 0 H ILE A 55 5.762 -11.499 11.253 1.00 0.00 H new ATOM 0 HA ILE A 55 6.508 -8.821 10.550 1.00 0.00 H new ATOM 0 HB ILE A 55 5.128 -9.889 13.028 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.987 -8.905 10.396 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.918 -10.547 11.005 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.269 -7.573 13.187 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.047 -7.615 13.257 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.226 -7.124 11.756 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.820 -9.391 11.364 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.591 -9.798 12.916 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.661 -8.130 12.297 1.00 0.00 H new ATOM 772 N ILE A 56 8.421 -8.457 12.083 1.00 0.00 N ATOM 773 CA ILE A 56 9.561 -8.239 12.890 1.00 0.00 C ATOM 774 C ILE A 56 9.353 -7.104 13.867 1.00 0.00 C ATOM 775 O ILE A 56 10.065 -7.000 14.858 1.00 0.00 O ATOM 776 CB ILE A 56 10.843 -8.012 12.068 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.805 -6.690 11.333 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.030 -9.158 11.073 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.097 -6.372 10.678 1.00 0.00 C ATOM 0 H ILE A 56 8.293 -7.768 11.342 1.00 0.00 H new ATOM 0 HA ILE A 56 9.699 -9.159 13.457 1.00 0.00 H new ATOM 0 HB ILE A 56 11.686 -7.985 12.759 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.016 -6.718 10.581 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.550 -5.895 12.033 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.938 -8.992 10.494 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.112 -10.100 11.615 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.173 -9.199 10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.018 -5.414 10.164 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.883 -6.316 11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.341 -7.152 9.956 1.00 0.00 H new ATOM 791 N GLU A 57 8.335 -6.298 13.645 1.00 0.00 N ATOM 792 CA GLU A 57 8.150 -5.124 14.479 1.00 0.00 C ATOM 793 C GLU A 57 6.722 -4.731 14.448 1.00 0.00 C ATOM 794 O GLU A 57 6.080 -4.895 13.429 1.00 0.00 O ATOM 795 CB GLU A 57 8.992 -3.966 13.957 1.00 0.00 C ATOM 796 CG GLU A 57 9.008 -2.751 14.855 1.00 0.00 C ATOM 797 CD GLU A 57 9.654 -1.563 14.199 1.00 0.00 C ATOM 798 OE1 GLU A 57 10.860 -1.602 13.898 1.00 0.00 O ATOM 799 OE2 GLU A 57 8.968 -0.566 13.971 1.00 0.00 O ATOM 0 H GLU A 57 7.637 -6.427 12.913 1.00 0.00 H new ATOM 0 HA GLU A 57 8.458 -5.359 15.498 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.016 -4.312 13.816 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.617 -3.673 12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.986 -2.497 15.136 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.542 -2.989 15.775 1.00 0.00 H new ATOM 806 N ILE A 58 6.230 -4.253 15.558 1.00 0.00 N ATOM 807 CA ILE A 58 4.874 -3.787 15.689 1.00 0.00 C ATOM 808 C ILE A 58 4.875 -2.548 16.553 1.00 0.00 C ATOM 809 O ILE A 58 5.402 -2.575 17.652 1.00 0.00 O ATOM 810 CB ILE A 58 3.986 -4.836 16.386 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.907 -6.110 15.555 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.574 -4.264 16.616 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.449 -7.304 16.340 1.00 0.00 C ATOM 0 H ILE A 58 6.773 -4.174 16.418 1.00 0.00 H new ATOM 0 HA ILE A 58 4.482 -3.590 14.691 1.00 0.00 H new ATOM 0 HB ILE A 58 4.431 -5.081 17.350 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.225 -5.949 14.720 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.888 -6.319 15.129 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.954 -5.013 17.109 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.639 -3.376 17.244 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.129 -3.998 15.657 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.415 -8.177 15.688 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.144 -7.489 17.159 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.455 -7.114 16.744 1.00 0.00 H new ATOM 825 N ASN A 59 4.375 -1.454 16.016 1.00 0.00 N ATOM 826 CA ASN A 59 4.143 -0.194 16.761 1.00 0.00 C ATOM 827 C ASN A 59 5.474 0.478 17.182 1.00 0.00 C ATOM 828 O ASN A 59 5.491 1.489 17.878 1.00 0.00 O ATOM 829 CB ASN A 59 3.215 -0.457 17.988 1.00 0.00 C ATOM 830 CG ASN A 59 2.594 0.796 18.598 1.00 0.00 C ATOM 831 OD1 ASN A 59 3.160 1.429 19.485 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.401 1.122 18.164 1.00 0.00 N ATOM 0 H ASN A 59 4.108 -1.395 15.033 1.00 0.00 H new ATOM 0 HA ASN A 59 3.639 0.507 16.096 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.415 -1.131 17.683 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.790 -0.972 18.757 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.914 1.924 18.565 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.960 0.574 17.425 1.00 0.00 H new ATOM 839 N GLY A 60 6.570 -0.054 16.701 1.00 0.00 N ATOM 840 CA GLY A 60 7.863 0.467 17.060 1.00 0.00 C ATOM 841 C GLY A 60 8.621 -0.459 17.979 1.00 0.00 C ATOM 842 O GLY A 60 9.727 -0.133 18.440 1.00 0.00 O ATOM 0 H GLY A 60 6.592 -0.847 16.060 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.448 0.636 16.156 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.740 1.435 17.545 1.00 0.00 H new ATOM 846 N GLN A 61 8.035 -1.597 18.281 1.00 0.00 N ATOM 847 CA GLN A 61 8.701 -2.568 19.099 1.00 0.00 C ATOM 848 C GLN A 61 8.991 -3.799 18.292 1.00 0.00 C ATOM 849 O GLN A 61 8.104 -4.334 17.612 1.00 0.00 O ATOM 850 CB GLN A 61 7.942 -2.892 20.412 1.00 0.00 C ATOM 851 CG GLN A 61 6.597 -3.577 20.256 1.00 0.00 C ATOM 852 CD GLN A 61 5.919 -3.821 21.583 1.00 0.00 C ATOM 853 OE1 GLN A 61 5.155 -2.984 22.062 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.201 -4.939 22.197 1.00 0.00 N ATOM 0 H GLN A 61 7.101 -1.866 17.970 1.00 0.00 H new ATOM 0 HA GLN A 61 9.645 -2.131 19.424 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.580 -3.525 21.029 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.791 -1.962 20.959 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.951 -2.964 19.628 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.734 -4.528 19.741 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.839 -5.609 21.768 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.783 -5.142 23.105 1.00 0.00 H new ATOM 863 N SER A 62 10.243 -4.182 18.279 1.00 0.00 N ATOM 864 CA SER A 62 10.666 -5.381 17.626 1.00 0.00 C ATOM 865 C SER A 62 10.018 -6.555 18.324 1.00 0.00 C ATOM 866 O SER A 62 10.189 -6.746 19.539 1.00 0.00 O ATOM 867 CB SER A 62 12.199 -5.503 17.665 1.00 0.00 C ATOM 868 OG SER A 62 12.641 -6.725 17.090 1.00 0.00 O ATOM 0 H SER A 62 10.998 -3.662 18.726 1.00 0.00 H new ATOM 0 HA SER A 62 10.364 -5.362 16.579 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.645 -4.665 17.129 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.543 -5.440 18.697 1.00 0.00 H new ATOM 0 HG SER A 62 13.619 -6.770 17.129 1.00 0.00 H new ATOM 874 N VAL A 63 9.228 -7.300 17.596 1.00 0.00 N ATOM 875 CA VAL A 63 8.559 -8.431 18.125 1.00 0.00 C ATOM 876 C VAL A 63 9.098 -9.675 17.449 1.00 0.00 C ATOM 877 O VAL A 63 8.565 -10.769 17.588 1.00 0.00 O ATOM 878 CB VAL A 63 7.050 -8.293 17.894 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.559 -6.995 18.548 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.746 -8.300 16.404 1.00 0.00 C ATOM 0 H VAL A 63 9.037 -7.126 16.609 1.00 0.00 H new ATOM 0 HA VAL A 63 8.732 -8.505 19.199 1.00 0.00 H new ATOM 0 HB VAL A 63 6.529 -9.137 18.346 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.486 -6.890 18.388 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.765 -7.026 19.618 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.077 -6.145 18.104 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.671 -8.201 16.251 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.259 -7.466 15.924 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.090 -9.237 15.967 1.00 0.00 H new ATOM 890 N VAL A 64 10.217 -9.500 16.776 1.00 0.00 N ATOM 891 CA VAL A 64 10.813 -10.561 16.013 1.00 0.00 C ATOM 892 C VAL A 64 11.394 -11.653 16.915 1.00 0.00 C ATOM 893 O VAL A 64 11.560 -12.788 16.496 1.00 0.00 O ATOM 894 CB VAL A 64 11.870 -10.027 15.020 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.167 -9.639 15.692 1.00 0.00 C ATOM 896 CG2 VAL A 64 12.070 -10.983 13.874 1.00 0.00 C ATOM 0 H VAL A 64 10.732 -8.620 16.747 1.00 0.00 H new ATOM 0 HA VAL A 64 10.016 -11.017 15.426 1.00 0.00 H new ATOM 0 HB VAL A 64 11.477 -9.100 14.602 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.869 -9.272 14.943 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.976 -8.856 16.426 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.592 -10.509 16.192 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.819 -10.581 13.192 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.408 -11.946 14.258 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.128 -11.115 13.342 1.00 0.00 H new ATOM 906 N ALA A 65 11.657 -11.315 18.149 1.00 0.00 N ATOM 907 CA ALA A 65 12.170 -12.265 19.101 1.00 0.00 C ATOM 908 C ALA A 65 11.138 -12.486 20.206 1.00 0.00 C ATOM 909 O ALA A 65 11.400 -13.140 21.216 1.00 0.00 O ATOM 910 CB ALA A 65 13.479 -11.757 19.663 1.00 0.00 C ATOM 0 H ALA A 65 11.522 -10.376 18.523 1.00 0.00 H new ATOM 0 HA ALA A 65 12.357 -13.222 18.614 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.869 -12.476 20.384 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.198 -11.630 18.853 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.316 -10.799 20.157 1.00 0.00 H new ATOM 916 N THR A 66 9.963 -11.956 19.984 1.00 0.00 N ATOM 917 CA THR A 66 8.886 -12.038 20.885 1.00 0.00 C ATOM 918 C THR A 66 8.118 -13.358 20.624 1.00 0.00 C ATOM 919 O THR A 66 8.013 -13.797 19.476 1.00 0.00 O ATOM 920 CB THR A 66 8.019 -10.772 20.652 1.00 0.00 C ATOM 921 OG1 THR A 66 8.815 -9.609 20.977 1.00 0.00 O ATOM 922 CG2 THR A 66 6.778 -10.743 21.477 1.00 0.00 C ATOM 0 H THR A 66 9.741 -11.440 19.133 1.00 0.00 H new ATOM 0 HA THR A 66 9.200 -12.062 21.929 1.00 0.00 H new ATOM 0 HB THR A 66 7.708 -10.781 19.607 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.225 -8.845 21.146 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.220 -9.831 21.264 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.162 -11.610 21.238 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.043 -10.767 22.534 1.00 0.00 H new ATOM 930 N PRO A 67 7.696 -14.066 21.685 1.00 0.00 N ATOM 931 CA PRO A 67 6.943 -15.310 21.541 1.00 0.00 C ATOM 932 C PRO A 67 5.535 -15.093 20.941 1.00 0.00 C ATOM 933 O PRO A 67 4.967 -13.986 21.022 1.00 0.00 O ATOM 934 CB PRO A 67 6.873 -15.865 22.966 1.00 0.00 C ATOM 935 CG PRO A 67 7.090 -14.691 23.854 1.00 0.00 C ATOM 936 CD PRO A 67 7.965 -13.742 23.095 1.00 0.00 C ATOM 0 HA PRO A 67 7.424 -15.995 20.843 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.907 -16.332 23.160 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.634 -16.628 23.129 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.142 -14.221 24.115 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.563 -14.993 24.788 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.719 -12.704 23.321 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.017 -13.882 23.344 1.00 0.00 H new ATOM 944 N HIS A 68 4.990 -16.167 20.370 1.00 0.00 N ATOM 945 CA HIS A 68 3.719 -16.178 19.626 1.00 0.00 C ATOM 946 C HIS A 68 2.566 -15.487 20.353 1.00 0.00 C ATOM 947 O HIS A 68 1.901 -14.629 19.777 1.00 0.00 O ATOM 948 CB HIS A 68 3.321 -17.634 19.190 1.00 0.00 C ATOM 949 CG HIS A 68 3.090 -18.634 20.309 1.00 0.00 C ATOM 950 ND1 HIS A 68 4.087 -19.406 20.843 1.00 0.00 N ATOM 951 CD2 HIS A 68 1.968 -18.959 20.995 1.00 0.00 C ATOM 952 CE1 HIS A 68 3.603 -20.155 21.809 1.00 0.00 C ATOM 953 NE2 HIS A 68 2.314 -19.901 21.925 1.00 0.00 N ATOM 0 H HIS A 68 5.431 -17.086 20.411 1.00 0.00 H new ATOM 0 HA HIS A 68 3.903 -15.584 18.731 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.412 -17.575 18.591 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.106 -18.023 18.541 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.981 -18.550 20.837 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.165 -20.858 22.406 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.680 -20.335 22.596 1.00 0.00 H new ATOM 962 N GLU A 69 2.357 -15.833 21.608 1.00 0.00 N ATOM 963 CA GLU A 69 1.235 -15.316 22.353 1.00 0.00 C ATOM 964 C GLU A 69 1.412 -13.844 22.625 1.00 0.00 C ATOM 965 O GLU A 69 0.460 -13.084 22.558 1.00 0.00 O ATOM 966 CB GLU A 69 1.040 -16.090 23.633 1.00 0.00 C ATOM 967 CG GLU A 69 -0.221 -15.743 24.398 1.00 0.00 C ATOM 968 CD GLU A 69 -0.374 -16.590 25.621 1.00 0.00 C ATOM 969 OE1 GLU A 69 -0.812 -17.751 25.504 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.042 -16.135 26.722 1.00 0.00 O ATOM 0 H GLU A 69 2.954 -16.473 22.132 1.00 0.00 H new ATOM 0 HA GLU A 69 0.335 -15.439 21.751 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.025 -17.154 23.399 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.900 -15.918 24.280 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.196 -14.691 24.684 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.088 -15.877 23.751 1.00 0.00 H new ATOM 977 N LYS A 70 2.647 -13.440 22.903 1.00 0.00 N ATOM 978 CA LYS A 70 2.940 -12.050 23.122 1.00 0.00 C ATOM 979 C LYS A 70 2.637 -11.255 21.896 1.00 0.00 C ATOM 980 O LYS A 70 1.944 -10.263 21.975 1.00 0.00 O ATOM 981 CB LYS A 70 4.379 -11.804 23.491 1.00 0.00 C ATOM 982 CG LYS A 70 4.608 -11.450 24.933 1.00 0.00 C ATOM 983 CD LYS A 70 5.899 -10.687 25.036 1.00 0.00 C ATOM 984 CE LYS A 70 6.243 -10.291 26.439 1.00 0.00 C ATOM 985 NZ LYS A 70 5.177 -9.528 27.121 1.00 0.00 N ATOM 0 H LYS A 70 3.451 -14.062 22.979 1.00 0.00 H new ATOM 0 HA LYS A 70 2.312 -11.740 23.957 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.958 -12.697 23.254 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.767 -10.998 22.868 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.781 -10.849 25.312 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.651 -12.353 25.543 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.706 -11.296 24.629 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.834 -9.791 24.419 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.461 -11.189 27.017 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.154 -9.692 26.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.533 -9.172 28.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.888 -8.726 26.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.359 -10.148 27.287 1.00 0.00 H new ATOM 999 N ILE A 71 3.143 -11.715 20.760 1.00 0.00 N ATOM 1000 CA ILE A 71 2.936 -11.042 19.484 1.00 0.00 C ATOM 1001 C ILE A 71 1.445 -10.839 19.232 1.00 0.00 C ATOM 1002 O ILE A 71 1.009 -9.748 18.842 1.00 0.00 O ATOM 1003 CB ILE A 71 3.583 -11.833 18.307 1.00 0.00 C ATOM 1004 CG1 ILE A 71 5.092 -11.953 18.531 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.310 -11.150 16.971 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.833 -12.678 17.429 1.00 0.00 C ATOM 0 H ILE A 71 3.707 -12.563 20.696 1.00 0.00 H new ATOM 0 HA ILE A 71 3.425 -10.069 19.536 1.00 0.00 H new ATOM 0 HB ILE A 71 3.138 -12.828 18.278 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.512 -10.953 18.637 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.267 -12.473 19.473 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.773 -11.723 16.168 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.234 -11.095 16.804 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.727 -10.143 16.985 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.895 -12.717 17.669 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.445 -13.692 17.336 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.693 -12.148 16.487 1.00 0.00 H new ATOM 1018 N VAL A 72 0.665 -11.863 19.530 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.775 -11.779 19.369 1.00 0.00 C ATOM 1020 C VAL A 72 -1.377 -10.818 20.402 1.00 0.00 C ATOM 1021 O VAL A 72 -2.277 -10.048 20.082 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.449 -13.181 19.466 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -2.970 -13.084 19.370 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.922 -14.086 18.370 1.00 0.00 C ATOM 0 H VAL A 72 1.003 -12.758 19.883 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.972 -11.389 18.371 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.201 -13.602 20.441 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.403 -14.082 19.442 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.347 -12.465 20.184 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.246 -12.636 18.416 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.398 -15.064 18.445 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.145 -13.647 17.397 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.157 -14.199 18.478 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.815 -10.806 21.605 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.326 -9.987 22.704 1.00 0.00 C ATOM 1036 C HIS A 73 -1.085 -8.521 22.400 1.00 0.00 C ATOM 1037 O HIS A 73 -1.948 -7.669 22.631 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.639 -10.357 24.038 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.182 -9.617 25.233 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -0.744 -8.368 25.625 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -2.155 -9.952 26.111 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -1.419 -7.981 26.676 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -2.281 -8.915 26.992 1.00 0.00 N ATOM 0 H HIS A 73 0.005 -11.361 21.848 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.395 -10.175 22.803 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.749 -11.428 24.206 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.429 -10.155 23.953 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.726 -10.869 26.115 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.287 -7.045 27.198 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.940 -8.875 27.770 1.00 0.00 H new ATOM 1052 N ILE A 74 0.089 -8.247 21.902 1.00 0.00 N ATOM 1053 CA ILE A 74 0.505 -6.933 21.535 1.00 0.00 C ATOM 1054 C ILE A 74 -0.363 -6.414 20.403 1.00 0.00 C ATOM 1055 O ILE A 74 -0.890 -5.311 20.486 1.00 0.00 O ATOM 1056 CB ILE A 74 1.990 -6.964 21.153 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.792 -7.318 22.409 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.424 -5.618 20.593 1.00 0.00 C ATOM 1059 CD1 ILE A 74 4.106 -7.970 22.134 1.00 0.00 C ATOM 0 H ILE A 74 0.801 -8.959 21.737 1.00 0.00 H new ATOM 0 HA ILE A 74 0.386 -6.250 22.376 1.00 0.00 H new ATOM 0 HB ILE A 74 2.166 -7.710 20.378 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.964 -6.408 22.985 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.194 -7.982 23.033 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.480 -5.658 20.327 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.835 -5.386 19.706 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.268 -4.844 21.344 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.609 -8.187 23.076 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.944 -8.899 21.587 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.726 -7.301 21.538 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.564 -7.244 19.381 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.449 -6.881 18.269 1.00 0.00 C ATOM 1073 C LEU A 75 -2.868 -6.654 18.744 1.00 0.00 C ATOM 1074 O LEU A 75 -3.490 -5.662 18.399 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.437 -7.944 17.173 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.182 -8.009 16.323 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.252 -9.195 15.381 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.014 -6.709 15.536 1.00 0.00 C ATOM 0 H LEU A 75 -0.132 -8.164 19.297 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.066 -5.949 17.853 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.588 -8.918 17.638 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.289 -7.769 16.515 1.00 0.00 H new ATOM 0 HG LEU A 75 0.682 -8.135 16.975 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.654 -9.233 14.775 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.340 -10.115 15.960 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.120 -9.092 14.730 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.890 -6.765 14.929 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.878 -6.562 14.888 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.066 -5.872 16.229 1.00 0.00 H new ATOM 1090 N SER A 76 -3.349 -7.557 19.562 1.00 0.00 N ATOM 1091 CA SER A 76 -4.692 -7.510 20.089 1.00 0.00 C ATOM 1092 C SER A 76 -4.927 -6.257 20.948 1.00 0.00 C ATOM 1093 O SER A 76 -6.042 -5.760 21.012 1.00 0.00 O ATOM 1094 CB SER A 76 -5.005 -8.798 20.883 1.00 0.00 C ATOM 1095 OG SER A 76 -6.368 -8.860 21.287 1.00 0.00 O ATOM 0 H SER A 76 -2.810 -8.360 19.886 1.00 0.00 H new ATOM 0 HA SER A 76 -5.378 -7.449 19.244 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.769 -9.668 20.270 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.364 -8.845 21.763 1.00 0.00 H new ATOM 0 HG SER A 76 -6.524 -9.690 21.784 1.00 0.00 H new ATOM 1101 N ASN A 77 -3.886 -5.722 21.554 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.048 -4.562 22.427 1.00 0.00 C ATOM 1103 C ASN A 77 -3.575 -3.260 21.796 1.00 0.00 C ATOM 1104 O ASN A 77 -3.629 -2.205 22.436 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.384 -4.782 23.797 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.150 -5.763 24.673 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.018 -5.372 25.456 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -3.855 -7.028 24.547 1.00 0.00 N ATOM 0 H ASN A 77 -2.928 -6.062 21.464 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.122 -4.459 22.580 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.369 -5.150 23.649 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.304 -3.826 24.314 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.348 -7.725 25.105 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.131 -7.320 23.890 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.113 -3.307 20.567 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.680 -2.089 19.894 1.00 0.00 C ATOM 1117 C ALA A 78 -3.678 -1.674 18.825 1.00 0.00 C ATOM 1118 O ALA A 78 -4.165 -2.514 18.070 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.274 -2.245 19.301 1.00 0.00 C ATOM 0 H ALA A 78 -3.025 -4.159 20.014 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.636 -1.297 20.642 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.983 -1.318 18.807 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.566 -2.469 20.099 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.273 -3.059 18.576 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.013 -0.386 18.788 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.928 0.147 17.784 1.00 0.00 C ATOM 1127 C VAL A 79 -4.287 1.384 17.125 1.00 0.00 C ATOM 1128 O VAL A 79 -3.146 1.736 17.448 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.351 0.513 18.384 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.795 -0.472 19.371 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.483 1.913 18.913 1.00 0.00 C ATOM 0 H VAL A 79 -3.662 0.310 19.446 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.099 -0.631 17.040 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.021 0.476 17.525 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.773 -0.185 19.757 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.865 -1.453 18.900 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.079 -0.513 20.191 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.491 2.062 19.300 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.760 2.069 19.714 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.294 2.625 18.110 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.998 2.025 16.231 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.523 3.214 15.581 1.00 0.00 C ATOM 1143 C GLY A 80 -3.701 2.886 14.390 1.00 0.00 C ATOM 1144 O GLY A 80 -3.864 1.813 13.800 1.00 0.00 O ATOM 0 H GLY A 80 -5.929 1.732 15.934 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.371 3.831 15.282 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.932 3.803 16.282 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.861 3.807 14.006 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.915 3.591 12.950 1.00 0.00 C ATOM 1150 C GLU A 81 -0.740 2.831 13.517 1.00 0.00 C ATOM 1151 O GLU A 81 0.006 3.343 14.376 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.479 4.913 12.331 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.572 5.607 11.557 1.00 0.00 C ATOM 1154 CD GLU A 81 -2.128 6.915 10.968 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -2.120 7.933 11.690 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -1.789 6.961 9.766 1.00 0.00 O ATOM 0 H GLU A 81 -2.815 4.737 14.422 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.373 3.008 12.151 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.128 5.576 13.121 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.634 4.732 11.667 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.916 4.952 10.757 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.423 5.781 12.215 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.586 1.625 13.079 1.00 0.00 N ATOM 1164 CA ILE A 82 0.409 0.735 13.630 1.00 0.00 C ATOM 1165 C ILE A 82 1.396 0.384 12.554 1.00 0.00 C ATOM 1166 O ILE A 82 1.018 -0.187 11.527 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.269 -0.568 14.145 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.393 -0.228 15.141 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.763 -1.494 14.788 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.323 -1.379 15.467 1.00 0.00 C ATOM 0 H ILE A 82 -1.143 1.218 12.327 1.00 0.00 H new ATOM 0 HA ILE A 82 0.915 1.227 14.461 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.709 -1.090 13.295 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.943 0.130 16.067 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.983 0.594 14.735 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.269 -2.399 15.142 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.523 -1.759 14.052 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.234 -0.985 15.629 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.081 -1.045 16.175 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.807 -1.725 14.554 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.751 -2.196 15.907 1.00 0.00 H new ATOM 1182 N HIS A 83 2.635 0.747 12.765 1.00 0.00 N ATOM 1183 CA HIS A 83 3.688 0.443 11.832 1.00 0.00 C ATOM 1184 C HIS A 83 4.284 -0.878 12.211 1.00 0.00 C ATOM 1185 O HIS A 83 4.756 -1.056 13.329 1.00 0.00 O ATOM 1186 CB HIS A 83 4.791 1.519 11.838 1.00 0.00 C ATOM 1187 CG HIS A 83 4.407 2.866 11.296 1.00 0.00 C ATOM 1188 ND1 HIS A 83 3.865 3.880 12.065 1.00 0.00 N ATOM 1189 CD2 HIS A 83 4.515 3.370 10.047 1.00 0.00 C ATOM 1190 CE1 HIS A 83 3.662 4.935 11.310 1.00 0.00 C ATOM 1191 NE2 HIS A 83 4.043 4.655 10.086 1.00 0.00 N ATOM 0 H HIS A 83 2.942 1.262 13.590 1.00 0.00 H new ATOM 0 HA HIS A 83 3.264 0.412 10.828 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.138 1.648 12.863 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.637 1.146 11.260 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.901 2.855 9.180 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.250 5.877 11.641 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.995 5.292 9.291 1.00 0.00 H new ATOM 1200 N MET A 84 4.192 -1.807 11.337 1.00 0.00 N ATOM 1201 CA MET A 84 4.786 -3.090 11.539 1.00 0.00 C ATOM 1202 C MET A 84 5.807 -3.279 10.474 1.00 0.00 C ATOM 1203 O MET A 84 5.719 -2.660 9.429 1.00 0.00 O ATOM 1204 CB MET A 84 3.779 -4.211 11.390 1.00 0.00 C ATOM 1205 CG MET A 84 2.541 -4.123 12.245 1.00 0.00 C ATOM 1206 SD MET A 84 1.537 -5.601 12.071 1.00 0.00 S ATOM 1207 CE MET A 84 1.622 -5.837 10.296 1.00 0.00 C ATOM 0 H MET A 84 3.699 -1.706 10.450 1.00 0.00 H new ATOM 0 HA MET A 84 5.202 -3.123 12.546 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.470 -4.255 10.346 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.281 -5.152 11.613 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.824 -3.991 13.289 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.958 -3.247 11.960 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.873 -6.567 9.990 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.431 -4.889 9.793 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.614 -6.198 10.024 1.00 0.00 H new ATOM 1217 N LYS A 85 6.743 -4.137 10.687 1.00 0.00 N ATOM 1218 CA LYS A 85 7.733 -4.387 9.693 1.00 0.00 C ATOM 1219 C LYS A 85 7.707 -5.830 9.407 1.00 0.00 C ATOM 1220 O LYS A 85 7.800 -6.631 10.304 1.00 0.00 O ATOM 1221 CB LYS A 85 9.113 -3.903 10.134 1.00 0.00 C ATOM 1222 CG LYS A 85 9.158 -2.403 10.372 1.00 0.00 C ATOM 1223 CD LYS A 85 10.262 -1.775 9.571 1.00 0.00 C ATOM 1224 CE LYS A 85 11.644 -2.000 10.190 1.00 0.00 C ATOM 1225 NZ LYS A 85 11.830 -1.221 11.448 1.00 0.00 N ATOM 0 H LYS A 85 6.846 -4.681 11.544 1.00 0.00 H new ATOM 0 HA LYS A 85 7.514 -3.826 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.400 -4.421 11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.847 -4.169 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.202 -1.957 10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.311 -2.202 11.432 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.250 -2.184 8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.078 -0.704 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.779 -3.061 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.413 -1.716 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.842 -1.182 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.468 -0.255 11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.310 -1.682 12.222 1.00 0.00 H new ATOM 1239 N THR A 86 7.480 -6.168 8.193 1.00 0.00 N ATOM 1240 CA THR A 86 7.344 -7.553 7.836 1.00 0.00 C ATOM 1241 C THR A 86 8.404 -7.951 6.816 1.00 0.00 C ATOM 1242 O THR A 86 8.857 -7.120 6.051 1.00 0.00 O ATOM 1243 CB THR A 86 5.910 -7.872 7.304 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.652 -7.204 6.048 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.849 -7.437 8.307 1.00 0.00 C ATOM 0 H THR A 86 7.382 -5.512 7.418 1.00 0.00 H new ATOM 0 HA THR A 86 7.495 -8.144 8.739 1.00 0.00 H new ATOM 0 HB THR A 86 5.861 -8.951 7.156 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.031 -6.301 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.859 -7.670 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.999 -7.966 9.248 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.928 -6.363 8.478 1.00 0.00 H new ATOM 1253 N MET A 87 8.813 -9.199 6.838 1.00 0.00 N ATOM 1254 CA MET A 87 9.820 -9.713 5.920 1.00 0.00 C ATOM 1255 C MET A 87 9.250 -10.979 5.328 1.00 0.00 C ATOM 1256 O MET A 87 8.256 -11.467 5.850 1.00 0.00 O ATOM 1257 CB MET A 87 11.102 -10.070 6.698 1.00 0.00 C ATOM 1258 CG MET A 87 11.666 -8.952 7.537 1.00 0.00 C ATOM 1259 SD MET A 87 13.240 -9.380 8.300 1.00 0.00 S ATOM 1260 CE MET A 87 14.318 -9.403 6.871 1.00 0.00 C ATOM 0 H MET A 87 8.458 -9.895 7.494 1.00 0.00 H new ATOM 0 HA MET A 87 10.064 -8.975 5.156 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.891 -10.921 7.346 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.863 -10.391 5.987 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.798 -8.067 6.914 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.949 -8.690 8.315 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.356 -9.459 7.199 1.00 0.00 H new ATOM 0 HE2 MET A 87 14.085 -10.271 6.254 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.170 -8.493 6.289 1.00 0.00 H new ATOM 1270 N PRO A 88 9.843 -11.574 4.271 1.00 0.00 N ATOM 1271 CA PRO A 88 9.377 -12.880 3.711 1.00 0.00 C ATOM 1272 C PRO A 88 9.693 -14.087 4.656 1.00 0.00 C ATOM 1273 O PRO A 88 9.912 -15.218 4.200 1.00 0.00 O ATOM 1274 CB PRO A 88 10.186 -12.997 2.412 1.00 0.00 C ATOM 1275 CG PRO A 88 11.414 -12.195 2.663 1.00 0.00 C ATOM 1276 CD PRO A 88 10.968 -11.021 3.473 1.00 0.00 C ATOM 0 HA PRO A 88 8.296 -12.907 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.429 -14.036 2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.627 -12.610 1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.162 -12.780 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.871 -11.875 1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.767 -10.643 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.646 -10.193 2.841 1.00 0.00 H new ATOM 1284 N ALA A 89 9.726 -13.794 5.974 1.00 0.00 N ATOM 1285 CA ALA A 89 9.980 -14.743 7.076 1.00 0.00 C ATOM 1286 C ALA A 89 11.428 -15.212 7.122 1.00 0.00 C ATOM 1287 O ALA A 89 11.831 -15.921 8.032 1.00 0.00 O ATOM 1288 CB ALA A 89 8.988 -15.893 7.052 1.00 0.00 C ATOM 0 H ALA A 89 9.569 -12.845 6.313 1.00 0.00 H new ATOM 0 HA ALA A 89 9.820 -14.204 8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.201 -16.575 7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.976 -15.503 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.074 -16.428 6.106 1.00 0.00 H new ATOM 1294 N ALA A 90 12.198 -14.755 6.175 1.00 0.00 N ATOM 1295 CA ALA A 90 13.593 -15.051 6.069 1.00 0.00 C ATOM 1296 C ALA A 90 14.259 -13.874 5.404 1.00 0.00 C ATOM 1297 O ALA A 90 14.225 -13.794 4.150 1.00 0.00 O ATOM 1298 CB ALA A 90 13.806 -16.314 5.252 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.752 -12.973 6.121 1.00 0.00 O ATOM 0 H ALA A 90 11.857 -14.145 5.432 1.00 0.00 H new ATOM 0 HA ALA A 90 14.022 -15.222 7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.873 -16.526 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.302 -17.150 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.396 -16.174 4.252 1.00 0.00 H new