USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 60 ASN : amide:sc= 0.118 K(o=-0.48,f=-1.3) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.603 X(o=-0.48,f=-0.98) USER MOD Set 2.1: A 22 THR OG1 : rot 167:sc= 1.29 USER MOD Set 2.2: A 25 ASN : amide:sc= -1.08 K(o=0.22,f=1.4) USER MOD Set 3.1: A 7 THR OG1 : rot 127:sc= 1.05 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.877 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.53 (180deg=1.26) USER MOD Single : A 2 GLN : amide:sc= -0.0059 X(o=-0.0059,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc=-0.00349 (180deg=-0.104) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.147) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 31 GLN : amide:sc= -1.15 K(o=-1.1,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= 2.32 (180deg=1.82) USER MOD Single : A 40 GLN : amide:sc=-0.00783 K(o=-0.0078,f=-1.1) USER MOD Single : A 41 ASN : amide:sc= 0.0054 X(o=0.0054,f=-0.45) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.43) USER MOD Single : A 55 THR OG1 : rot -77:sc= 0.975 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 166:sc= 0.0248 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -83:sc= 1.37 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.241 K(o=-0.24,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.169 -2.215 3.755 1.00 0.00 N ATOM 2 CA MET A 1 -12.861 -2.467 2.334 1.00 0.00 C ATOM 3 C MET A 1 -11.625 -3.345 2.207 1.00 0.00 C ATOM 4 O MET A 1 -10.581 -2.993 2.754 1.00 0.00 O ATOM 5 CB MET A 1 -12.532 -1.170 1.570 1.00 0.00 C ATOM 6 CG MET A 1 -13.724 -0.378 1.050 1.00 0.00 C ATOM 7 SD MET A 1 -14.860 0.262 2.297 1.00 0.00 S ATOM 8 CE MET A 1 -15.891 1.316 1.248 1.00 0.00 C ATOM 0 H1 MET A 1 -13.829 -1.415 3.831 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.604 -3.063 4.172 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.292 -1.989 4.266 1.00 0.00 H new ATOM 0 HA MET A 1 -13.750 -2.941 1.917 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.950 -0.523 2.227 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.893 -1.423 0.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.349 0.462 0.465 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.287 -1.015 0.368 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.656 1.798 1.857 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.271 2.078 0.776 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.368 0.709 0.479 1.00 0.00 H new ATOM 18 N GLN A 2 -11.694 -4.474 1.504 1.00 0.00 N ATOM 19 CA GLN A 2 -10.515 -5.313 1.315 1.00 0.00 C ATOM 20 C GLN A 2 -9.865 -4.902 -0.010 1.00 0.00 C ATOM 21 O GLN A 2 -10.567 -4.454 -0.921 1.00 0.00 O ATOM 22 CB GLN A 2 -10.860 -6.812 1.320 1.00 0.00 C ATOM 23 CG GLN A 2 -11.574 -7.265 0.039 1.00 0.00 C ATOM 24 CD GLN A 2 -12.057 -8.704 0.109 1.00 0.00 C ATOM 25 OE1 GLN A 2 -13.224 -8.963 0.389 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.193 -9.667 -0.163 1.00 0.00 N ATOM 0 H GLN A 2 -12.543 -4.825 1.061 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.825 -5.164 2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.944 -7.390 1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.493 -7.031 2.180 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.425 -6.610 -0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.896 -7.155 -0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.227 -9.435 -0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.493 -10.642 -0.142 1.00 0.00 H new ATOM 35 N ILE A 3 -8.551 -5.065 -0.137 1.00 0.00 N ATOM 36 CA ILE A 3 -7.792 -4.763 -1.352 1.00 0.00 C ATOM 37 C ILE A 3 -6.681 -5.809 -1.473 1.00 0.00 C ATOM 38 O ILE A 3 -6.314 -6.445 -0.477 1.00 0.00 O ATOM 39 CB ILE A 3 -7.259 -3.306 -1.432 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.960 -3.006 -0.653 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.336 -2.248 -1.115 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.022 -3.278 0.847 1.00 0.00 C ATOM 0 H ILE A 3 -7.967 -5.420 0.621 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.465 -4.822 -2.207 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.983 -3.226 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.154 -3.602 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.698 -1.959 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.900 -1.252 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.156 -2.338 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.714 -2.405 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.061 -3.036 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.801 -2.662 1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.248 -4.331 1.017 1.00 0.00 H new ATOM 54 N PHE A 4 -6.151 -5.997 -2.678 1.00 0.00 N ATOM 55 CA PHE A 4 -5.081 -6.944 -2.959 1.00 0.00 C ATOM 56 C PHE A 4 -3.791 -6.155 -3.128 1.00 0.00 C ATOM 57 O PHE A 4 -3.823 -4.997 -3.545 1.00 0.00 O ATOM 58 CB PHE A 4 -5.409 -7.744 -4.229 1.00 0.00 C ATOM 59 CG PHE A 4 -6.819 -8.304 -4.257 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.248 -9.163 -3.230 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.713 -7.941 -5.281 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.562 -9.663 -3.227 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.024 -8.441 -5.278 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.449 -9.306 -4.256 1.00 0.00 C ATOM 0 H PHE A 4 -6.461 -5.483 -3.503 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.971 -7.656 -2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.267 -7.102 -5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.700 -8.567 -4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.565 -9.440 -2.440 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.390 -7.277 -6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.889 -10.320 -2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.709 -8.160 -6.064 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.456 -9.696 -4.261 1.00 0.00 H new ATOM 74 N VAL A 5 -2.651 -6.778 -2.846 1.00 0.00 N ATOM 75 CA VAL A 5 -1.337 -6.171 -2.955 1.00 0.00 C ATOM 76 C VAL A 5 -0.369 -7.205 -3.529 1.00 0.00 C ATOM 77 O VAL A 5 -0.221 -8.290 -2.961 1.00 0.00 O ATOM 78 CB VAL A 5 -0.854 -5.661 -1.580 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.393 -4.792 -1.774 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.903 -4.838 -0.810 1.00 0.00 C ATOM 0 H VAL A 5 -2.619 -7.746 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.383 -5.309 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.646 -6.550 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.738 -4.429 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.180 -5.384 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.149 -3.944 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.485 -4.518 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.181 -3.962 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.787 -5.451 -0.632 1.00 0.00 H new ATOM 90 N LYS A 6 0.236 -6.897 -4.678 1.00 0.00 N ATOM 91 CA LYS A 6 1.212 -7.747 -5.345 1.00 0.00 C ATOM 92 C LYS A 6 2.570 -7.372 -4.739 1.00 0.00 C ATOM 93 O LYS A 6 2.910 -6.189 -4.731 1.00 0.00 O ATOM 94 CB LYS A 6 1.171 -7.509 -6.864 1.00 0.00 C ATOM 95 CG LYS A 6 2.005 -8.546 -7.634 1.00 0.00 C ATOM 96 CD LYS A 6 1.272 -9.877 -7.878 1.00 0.00 C ATOM 97 CE LYS A 6 0.227 -9.834 -9.001 1.00 0.00 C ATOM 98 NZ LYS A 6 0.806 -9.541 -10.330 1.00 0.00 N ATOM 0 H LYS A 6 0.053 -6.027 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 6 1.009 -8.808 -5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.138 -7.547 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.544 -6.509 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.298 -8.122 -8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.923 -8.744 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.009 -10.645 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.781 -10.181 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.292 -10.792 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.520 -9.077 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.085 -9.692 -11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.127 -8.552 -10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.614 -10.173 -10.504 1.00 0.00 H new ATOM 112 N THR A 7 3.315 -8.329 -4.194 1.00 0.00 N ATOM 113 CA THR A 7 4.619 -8.113 -3.567 1.00 0.00 C ATOM 114 C THR A 7 5.758 -8.109 -4.591 1.00 0.00 C ATOM 115 O THR A 7 5.560 -8.452 -5.760 1.00 0.00 O ATOM 116 CB THR A 7 4.870 -9.227 -2.531 1.00 0.00 C ATOM 117 OG1 THR A 7 5.004 -10.462 -3.200 1.00 0.00 O ATOM 118 CG2 THR A 7 3.746 -9.346 -1.496 1.00 0.00 C ATOM 0 H THR A 7 3.021 -9.306 -4.175 1.00 0.00 H new ATOM 0 HA THR A 7 4.602 -7.134 -3.087 1.00 0.00 H new ATOM 0 HB THR A 7 5.782 -8.965 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.840 -10.894 -2.925 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.980 -10.147 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.650 -8.405 -0.954 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.807 -9.571 -2.002 1.00 0.00 H new ATOM 126 N LEU A 8 6.975 -7.781 -4.137 1.00 0.00 N ATOM 127 CA LEU A 8 8.173 -7.780 -4.979 1.00 0.00 C ATOM 128 C LEU A 8 8.497 -9.216 -5.412 1.00 0.00 C ATOM 129 O LEU A 8 9.126 -9.415 -6.450 1.00 0.00 O ATOM 130 CB LEU A 8 9.378 -7.209 -4.211 1.00 0.00 C ATOM 131 CG LEU A 8 9.439 -5.672 -4.184 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.588 -5.234 -3.271 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.702 -5.091 -5.578 1.00 0.00 C ATOM 0 H LEU A 8 7.154 -7.508 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 8 7.979 -7.157 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.349 -7.578 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.295 -7.590 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 8 8.477 -5.308 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.638 -4.145 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.416 -5.612 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.528 -5.632 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.738 -4.003 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.654 -5.465 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.901 -5.391 -6.254 1.00 0.00 H new ATOM 145 N THR A 9 8.077 -10.215 -4.629 1.00 0.00 N ATOM 146 CA THR A 9 8.282 -11.632 -4.908 1.00 0.00 C ATOM 147 C THR A 9 7.232 -12.152 -5.911 1.00 0.00 C ATOM 148 O THR A 9 7.189 -13.341 -6.218 1.00 0.00 O ATOM 149 CB THR A 9 8.315 -12.409 -3.577 1.00 0.00 C ATOM 150 OG1 THR A 9 7.197 -12.131 -2.745 1.00 0.00 O ATOM 151 CG2 THR A 9 9.564 -12.025 -2.776 1.00 0.00 C ATOM 0 H THR A 9 7.571 -10.051 -3.759 1.00 0.00 H new ATOM 0 HA THR A 9 9.245 -11.789 -5.395 1.00 0.00 H new ATOM 0 HB THR A 9 8.307 -13.465 -3.849 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.268 -12.650 -1.917 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.579 -12.579 -1.837 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.456 -12.267 -3.354 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.547 -10.956 -2.566 1.00 0.00 H new ATOM 159 N GLY A 10 6.367 -11.272 -6.427 1.00 0.00 N ATOM 160 CA GLY A 10 5.323 -11.582 -7.396 1.00 0.00 C ATOM 161 C GLY A 10 4.147 -12.304 -6.757 1.00 0.00 C ATOM 162 O GLY A 10 3.339 -12.908 -7.460 1.00 0.00 O ATOM 0 H GLY A 10 6.380 -10.286 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.973 -10.659 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.739 -12.200 -8.191 1.00 0.00 H new ATOM 166 N LYS A 11 4.086 -12.310 -5.427 1.00 0.00 N ATOM 167 CA LYS A 11 3.061 -12.943 -4.617 1.00 0.00 C ATOM 168 C LYS A 11 1.884 -11.992 -4.446 1.00 0.00 C ATOM 169 O LYS A 11 2.031 -10.803 -4.721 1.00 0.00 O ATOM 170 CB LYS A 11 3.690 -13.207 -3.241 1.00 0.00 C ATOM 171 CG LYS A 11 3.138 -14.452 -2.544 1.00 0.00 C ATOM 172 CD LYS A 11 3.629 -14.527 -1.096 1.00 0.00 C ATOM 173 CE LYS A 11 2.877 -13.547 -0.187 1.00 0.00 C ATOM 174 NZ LYS A 11 3.416 -13.601 1.186 1.00 0.00 N ATOM 0 H LYS A 11 4.794 -11.845 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 11 2.706 -13.862 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.768 -13.315 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.524 -12.339 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.048 -14.432 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.449 -15.345 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.500 -15.542 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.696 -14.308 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.967 -12.534 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.815 -13.792 -0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.794 -13.065 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.465 -14.591 1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.369 -13.186 1.201 1.00 0.00 H new ATOM 188 N THR A 12 0.758 -12.465 -3.916 1.00 0.00 N ATOM 189 CA THR A 12 -0.407 -11.624 -3.675 1.00 0.00 C ATOM 190 C THR A 12 -0.850 -11.819 -2.228 1.00 0.00 C ATOM 191 O THR A 12 -0.880 -12.939 -1.712 1.00 0.00 O ATOM 192 CB THR A 12 -1.542 -11.883 -4.684 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.046 -11.995 -6.004 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.560 -10.734 -4.680 1.00 0.00 C ATOM 0 H THR A 12 0.630 -13.439 -3.643 1.00 0.00 H new ATOM 0 HA THR A 12 -0.135 -10.580 -3.828 1.00 0.00 H new ATOM 0 HB THR A 12 -2.015 -12.816 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.790 -12.161 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.349 -10.945 -5.402 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.995 -10.636 -3.685 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.060 -9.804 -4.950 1.00 0.00 H new ATOM 202 N ILE A 13 -1.169 -10.714 -1.560 1.00 0.00 N ATOM 203 CA ILE A 13 -1.630 -10.635 -0.182 1.00 0.00 C ATOM 204 C ILE A 13 -2.887 -9.763 -0.216 1.00 0.00 C ATOM 205 O ILE A 13 -3.014 -8.890 -1.074 1.00 0.00 O ATOM 206 CB ILE A 13 -0.516 -10.016 0.707 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.776 -10.866 0.646 1.00 0.00 C ATOM 208 CG2 ILE A 13 -0.979 -9.853 2.170 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.961 -10.286 1.430 1.00 0.00 C ATOM 0 H ILE A 13 -1.108 -9.794 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.857 -11.613 0.243 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.301 -9.024 0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.557 -11.863 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.070 -10.982 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.173 -9.417 2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.850 -9.198 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.242 -10.828 2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.822 -10.947 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.212 -9.302 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.692 -10.196 2.482 1.00 0.00 H new ATOM 221 N THR A 14 -3.817 -9.988 0.705 1.00 0.00 N ATOM 222 CA THR A 14 -5.049 -9.229 0.832 1.00 0.00 C ATOM 223 C THR A 14 -4.989 -8.529 2.192 1.00 0.00 C ATOM 224 O THR A 14 -4.425 -9.078 3.140 1.00 0.00 O ATOM 225 CB THR A 14 -6.259 -10.170 0.757 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.090 -11.208 -0.198 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.571 -9.436 0.471 1.00 0.00 C ATOM 0 H THR A 14 -3.729 -10.726 1.403 1.00 0.00 H new ATOM 0 HA THR A 14 -5.155 -8.502 0.026 1.00 0.00 H new ATOM 0 HB THR A 14 -6.320 -10.614 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.886 -11.779 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.389 -10.155 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.763 -8.713 1.263 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.497 -8.917 -0.484 1.00 0.00 H new ATOM 235 N LEU A 15 -5.540 -7.322 2.299 1.00 0.00 N ATOM 236 CA LEU A 15 -5.575 -6.539 3.534 1.00 0.00 C ATOM 237 C LEU A 15 -6.955 -5.896 3.630 1.00 0.00 C ATOM 238 O LEU A 15 -7.681 -5.865 2.634 1.00 0.00 O ATOM 239 CB LEU A 15 -4.528 -5.404 3.538 1.00 0.00 C ATOM 240 CG LEU A 15 -3.112 -5.728 3.034 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.364 -4.416 2.778 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.325 -6.555 4.053 1.00 0.00 C ATOM 0 H LEU A 15 -5.985 -6.850 1.512 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.358 -7.205 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.919 -4.586 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.442 -5.032 4.559 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.203 -6.312 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.358 -4.635 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.898 -3.833 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.303 -3.845 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.330 -6.764 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.238 -5.997 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.846 -7.494 4.240 1.00 0.00 H new ATOM 254 N GLU A 16 -7.292 -5.339 4.790 1.00 0.00 N ATOM 255 CA GLU A 16 -8.554 -4.656 5.048 1.00 0.00 C ATOM 256 C GLU A 16 -8.204 -3.235 5.480 1.00 0.00 C ATOM 257 O GLU A 16 -7.417 -3.045 6.403 1.00 0.00 O ATOM 258 CB GLU A 16 -9.387 -5.400 6.094 1.00 0.00 C ATOM 259 CG GLU A 16 -10.719 -4.663 6.279 1.00 0.00 C ATOM 260 CD GLU A 16 -11.634 -5.374 7.263 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.609 -6.016 6.804 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.452 -5.204 8.490 1.00 0.00 O ATOM 0 H GLU A 16 -6.674 -5.352 5.601 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.177 -4.630 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.565 -6.427 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.848 -5.449 7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.526 -3.650 6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.221 -4.576 5.316 1.00 0.00 H new ATOM 269 N VAL A 17 -8.762 -2.242 4.801 1.00 0.00 N ATOM 270 CA VAL A 17 -8.576 -0.807 4.993 1.00 0.00 C ATOM 271 C VAL A 17 -9.931 -0.110 4.841 1.00 0.00 C ATOM 272 O VAL A 17 -10.916 -0.772 4.522 1.00 0.00 O ATOM 273 CB VAL A 17 -7.615 -0.307 3.886 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.229 -0.967 3.970 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.189 -0.530 2.467 1.00 0.00 C ATOM 0 H VAL A 17 -9.411 -2.434 4.038 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.167 -0.593 5.980 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.508 0.763 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.594 -0.582 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.776 -0.741 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.333 -2.047 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.479 -0.163 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.363 -1.594 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.130 0.010 2.366 1.00 0.00 H new ATOM 285 N GLU A 18 -9.995 1.210 5.018 1.00 0.00 N ATOM 286 CA GLU A 18 -11.219 1.978 4.852 1.00 0.00 C ATOM 287 C GLU A 18 -10.889 3.272 4.105 1.00 0.00 C ATOM 288 O GLU A 18 -9.745 3.731 4.160 1.00 0.00 O ATOM 289 CB GLU A 18 -11.866 2.363 6.180 1.00 0.00 C ATOM 290 CG GLU A 18 -12.431 1.207 7.008 1.00 0.00 C ATOM 291 CD GLU A 18 -13.733 0.657 6.431 1.00 0.00 C ATOM 292 OE1 GLU A 18 -14.792 0.827 7.080 1.00 0.00 O ATOM 293 OE2 GLU A 18 -13.712 0.012 5.361 1.00 0.00 O ATOM 0 H GLU A 18 -9.189 1.777 5.283 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.919 1.348 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.126 2.889 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.672 3.068 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.693 0.406 7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.605 1.546 8.029 1.00 0.00 H new ATOM 300 N PRO A 19 -11.873 3.907 3.448 1.00 0.00 N ATOM 301 CA PRO A 19 -11.675 5.152 2.715 1.00 0.00 C ATOM 302 C PRO A 19 -11.103 6.290 3.572 1.00 0.00 C ATOM 303 O PRO A 19 -10.247 7.044 3.095 1.00 0.00 O ATOM 304 CB PRO A 19 -13.049 5.508 2.145 1.00 0.00 C ATOM 305 CG PRO A 19 -13.708 4.136 2.033 1.00 0.00 C ATOM 306 CD PRO A 19 -13.248 3.453 3.299 1.00 0.00 C ATOM 0 HA PRO A 19 -10.926 5.016 1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.604 6.175 2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.974 6.005 1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.794 4.210 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.383 3.600 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.860 3.738 4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.306 2.368 3.214 1.00 0.00 H new ATOM 314 N SER A 20 -11.567 6.440 4.816 1.00 0.00 N ATOM 315 CA SER A 20 -11.115 7.486 5.724 1.00 0.00 C ATOM 316 C SER A 20 -9.732 7.230 6.326 1.00 0.00 C ATOM 317 O SER A 20 -9.168 8.160 6.905 1.00 0.00 O ATOM 318 CB SER A 20 -12.157 7.697 6.826 1.00 0.00 C ATOM 319 OG SER A 20 -13.377 8.128 6.246 1.00 0.00 O ATOM 0 H SER A 20 -12.276 5.828 5.221 1.00 0.00 H new ATOM 0 HA SER A 20 -11.010 8.393 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.312 6.770 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.800 8.438 7.542 1.00 0.00 H new ATOM 0 HG SER A 20 -14.045 8.262 6.951 1.00 0.00 H new ATOM 325 N ASP A 21 -9.173 6.022 6.213 1.00 0.00 N ATOM 326 CA ASP A 21 -7.859 5.722 6.779 1.00 0.00 C ATOM 327 C ASP A 21 -6.746 6.341 5.939 1.00 0.00 C ATOM 328 O ASP A 21 -6.856 6.480 4.714 1.00 0.00 O ATOM 329 CB ASP A 21 -7.614 4.206 6.887 1.00 0.00 C ATOM 330 CG ASP A 21 -8.295 3.578 8.100 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.832 2.454 7.975 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.270 4.188 9.193 1.00 0.00 O ATOM 0 H ASP A 21 -9.612 5.236 5.734 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.847 6.153 7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.976 3.719 5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.541 4.020 6.942 1.00 0.00 H new ATOM 337 N THR A 22 -5.659 6.727 6.608 1.00 0.00 N ATOM 338 CA THR A 22 -4.498 7.302 5.947 1.00 0.00 C ATOM 339 C THR A 22 -3.631 6.155 5.441 1.00 0.00 C ATOM 340 O THR A 22 -3.709 5.035 5.964 1.00 0.00 O ATOM 341 CB THR A 22 -3.691 8.198 6.896 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.338 7.467 8.045 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.471 9.436 7.314 1.00 0.00 C ATOM 0 H THR A 22 -5.563 6.648 7.620 1.00 0.00 H new ATOM 0 HA THR A 22 -4.829 7.931 5.121 1.00 0.00 H new ATOM 0 HB THR A 22 -2.800 8.526 6.361 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.661 7.962 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.861 10.041 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.727 10.021 6.430 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.385 9.135 7.826 1.00 0.00 H new ATOM 351 N ILE A 23 -2.729 6.444 4.501 1.00 0.00 N ATOM 352 CA ILE A 23 -1.814 5.448 3.941 1.00 0.00 C ATOM 353 C ILE A 23 -0.919 4.855 5.053 1.00 0.00 C ATOM 354 O ILE A 23 -0.292 3.813 4.856 1.00 0.00 O ATOM 355 CB ILE A 23 -1.049 6.074 2.751 1.00 0.00 C ATOM 356 CG1 ILE A 23 -1.998 6.633 1.660 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.048 5.116 2.088 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.090 5.673 1.168 1.00 0.00 C ATOM 0 H ILE A 23 -2.612 7.377 4.106 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.359 4.595 3.536 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.490 6.894 3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.478 7.531 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.397 6.938 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.450 5.624 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.695 4.801 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.577 4.242 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.694 6.168 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.627 4.783 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.726 5.385 2.005 1.00 0.00 H new ATOM 370 N GLU A 24 -0.841 5.494 6.227 1.00 0.00 N ATOM 371 CA GLU A 24 -0.073 5.031 7.377 1.00 0.00 C ATOM 372 C GLU A 24 -0.603 3.641 7.740 1.00 0.00 C ATOM 373 O GLU A 24 0.142 2.665 7.752 1.00 0.00 O ATOM 374 CB GLU A 24 -0.255 5.990 8.562 1.00 0.00 C ATOM 375 CG GLU A 24 0.156 7.437 8.272 1.00 0.00 C ATOM 376 CD GLU A 24 -0.281 8.340 9.423 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.511 8.513 9.603 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.587 8.846 10.164 1.00 0.00 O ATOM 0 H GLU A 24 -1.327 6.373 6.402 1.00 0.00 H new ATOM 0 HA GLU A 24 0.990 4.994 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.301 5.976 8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.329 5.621 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.236 7.498 8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.299 7.774 7.341 1.00 0.00 H new ATOM 385 N ASN A 25 -1.923 3.566 7.941 1.00 0.00 N ATOM 386 CA ASN A 25 -2.679 2.367 8.301 1.00 0.00 C ATOM 387 C ASN A 25 -2.387 1.249 7.321 1.00 0.00 C ATOM 388 O ASN A 25 -2.066 0.124 7.686 1.00 0.00 O ATOM 389 CB ASN A 25 -4.200 2.614 8.270 1.00 0.00 C ATOM 390 CG ASN A 25 -4.557 3.622 9.324 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.931 3.289 10.443 1.00 0.00 O ATOM 392 ND2 ASN A 25 -4.319 4.875 9.014 1.00 0.00 N ATOM 0 H ASN A 25 -2.523 4.386 7.851 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.372 2.099 9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.502 2.975 7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.736 1.681 8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.444 5.606 9.714 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.009 5.118 8.073 1.00 0.00 H new ATOM 399 N VAL A 26 -2.532 1.583 6.046 1.00 0.00 N ATOM 400 CA VAL A 26 -2.332 0.697 4.922 1.00 0.00 C ATOM 401 C VAL A 26 -0.923 0.097 4.978 1.00 0.00 C ATOM 402 O VAL A 26 -0.784 -1.124 4.888 1.00 0.00 O ATOM 403 CB VAL A 26 -2.653 1.467 3.627 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.708 0.493 2.441 1.00 0.00 C ATOM 405 CG2 VAL A 26 -3.978 2.256 3.723 1.00 0.00 C ATOM 0 H VAL A 26 -2.805 2.524 5.761 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.009 -0.156 4.953 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.855 2.194 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.935 1.044 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.744 -0.005 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.484 -0.252 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.158 2.781 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.799 1.566 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.913 2.979 4.536 1.00 0.00 H new ATOM 415 N LYS A 27 0.120 0.919 5.153 1.00 0.00 N ATOM 416 CA LYS A 27 1.483 0.402 5.218 1.00 0.00 C ATOM 417 C LYS A 27 1.698 -0.403 6.508 1.00 0.00 C ATOM 418 O LYS A 27 2.436 -1.384 6.489 1.00 0.00 O ATOM 419 CB LYS A 27 2.512 1.515 4.990 1.00 0.00 C ATOM 420 CG LYS A 27 3.855 0.915 4.527 1.00 0.00 C ATOM 421 CD LYS A 27 4.844 1.912 3.906 1.00 0.00 C ATOM 422 CE LYS A 27 4.885 3.220 4.695 1.00 0.00 C ATOM 423 NZ LYS A 27 6.001 4.094 4.312 1.00 0.00 N ATOM 0 H LYS A 27 0.043 1.931 5.250 1.00 0.00 H new ATOM 0 HA LYS A 27 1.638 -0.301 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.141 2.215 4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.657 2.080 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.335 0.439 5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.651 0.130 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.840 1.470 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.558 2.116 2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.947 3.755 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.959 2.993 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.013 4.932 4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.898 3.577 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.884 4.393 3.323 1.00 0.00 H new ATOM 437 N ALA A 28 1.057 -0.036 7.618 1.00 0.00 N ATOM 438 CA ALA A 28 1.169 -0.741 8.891 1.00 0.00 C ATOM 439 C ALA A 28 0.581 -2.155 8.777 1.00 0.00 C ATOM 440 O ALA A 28 1.167 -3.114 9.290 1.00 0.00 O ATOM 441 CB ALA A 28 0.464 0.085 9.980 1.00 0.00 C ATOM 0 H ALA A 28 0.436 0.772 7.656 1.00 0.00 H new ATOM 0 HA ALA A 28 2.218 -0.855 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.541 -0.432 10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.937 1.064 10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.587 0.210 9.719 1.00 0.00 H new ATOM 447 N LYS A 29 -0.545 -2.301 8.071 1.00 0.00 N ATOM 448 CA LYS A 29 -1.224 -3.580 7.866 1.00 0.00 C ATOM 449 C LYS A 29 -0.398 -4.527 7.008 1.00 0.00 C ATOM 450 O LYS A 29 -0.487 -5.737 7.220 1.00 0.00 O ATOM 451 CB LYS A 29 -2.584 -3.342 7.203 1.00 0.00 C ATOM 452 CG LYS A 29 -3.584 -2.680 8.162 1.00 0.00 C ATOM 453 CD LYS A 29 -4.609 -1.906 7.335 1.00 0.00 C ATOM 454 CE LYS A 29 -5.655 -1.199 8.197 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.596 -2.126 8.860 1.00 0.00 N ATOM 0 H LYS A 29 -1.017 -1.518 7.619 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.360 -4.045 8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.453 -2.711 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.989 -4.292 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.081 -3.435 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.065 -2.009 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.092 -1.168 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.111 -2.592 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.147 -0.605 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.219 -0.505 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.277 -1.582 9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.106 -2.676 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.068 -2.773 9.480 1.00 0.00 H new ATOM 469 N ILE A 30 0.353 -4.027 6.020 1.00 0.00 N ATOM 470 CA ILE A 30 1.176 -4.905 5.194 1.00 0.00 C ATOM 471 C ILE A 30 2.474 -5.219 5.942 1.00 0.00 C ATOM 472 O ILE A 30 2.940 -6.352 5.854 1.00 0.00 O ATOM 473 CB ILE A 30 1.377 -4.354 3.770 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.120 -5.335 2.847 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.084 -3.003 3.750 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.332 -6.598 2.495 1.00 0.00 C ATOM 0 H ILE A 30 0.406 -3.037 5.779 1.00 0.00 H new ATOM 0 HA ILE A 30 0.657 -5.849 5.031 1.00 0.00 H new ATOM 0 HB ILE A 30 0.367 -4.218 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.383 -4.817 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.055 -5.627 3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.197 -2.667 2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.494 -2.275 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.068 -3.100 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.932 -7.231 1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.092 -7.143 3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.410 -6.321 1.985 1.00 0.00 H new ATOM 488 N GLN A 31 3.030 -4.284 6.731 1.00 0.00 N ATOM 489 CA GLN A 31 4.257 -4.529 7.490 1.00 0.00 C ATOM 490 C GLN A 31 4.065 -5.747 8.393 1.00 0.00 C ATOM 491 O GLN A 31 4.997 -6.535 8.549 1.00 0.00 O ATOM 492 CB GLN A 31 4.663 -3.298 8.313 1.00 0.00 C ATOM 493 CG GLN A 31 5.479 -2.312 7.478 1.00 0.00 C ATOM 494 CD GLN A 31 5.761 -1.053 8.296 1.00 0.00 C ATOM 495 OE1 GLN A 31 6.467 -1.072 9.305 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.114 0.048 7.951 1.00 0.00 N ATOM 0 H GLN A 31 2.643 -3.349 6.857 1.00 0.00 H new ATOM 0 HA GLN A 31 5.066 -4.728 6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.770 -2.802 8.694 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.246 -3.613 9.178 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.417 -2.773 7.167 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.935 -2.053 6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.531 0.056 7.114 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.198 0.889 8.522 1.00 0.00 H new ATOM 505 N ASP A 32 2.860 -5.940 8.939 1.00 0.00 N ATOM 506 CA ASP A 32 2.499 -7.079 9.797 1.00 0.00 C ATOM 507 C ASP A 32 2.675 -8.436 9.080 1.00 0.00 C ATOM 508 O ASP A 32 2.750 -9.467 9.741 1.00 0.00 O ATOM 509 CB ASP A 32 1.039 -6.900 10.262 1.00 0.00 C ATOM 510 CG ASP A 32 0.333 -8.194 10.696 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.358 -8.809 9.851 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.376 -8.546 11.894 1.00 0.00 O ATOM 0 H ASP A 32 2.086 -5.292 8.794 1.00 0.00 H new ATOM 0 HA ASP A 32 3.173 -7.093 10.653 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.022 -6.198 11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.468 -6.447 9.452 1.00 0.00 H new ATOM 517 N LYS A 33 2.789 -8.444 7.746 1.00 0.00 N ATOM 518 CA LYS A 33 2.936 -9.631 6.899 1.00 0.00 C ATOM 519 C LYS A 33 4.221 -9.632 6.080 1.00 0.00 C ATOM 520 O LYS A 33 4.590 -10.682 5.558 1.00 0.00 O ATOM 521 CB LYS A 33 1.747 -9.671 5.923 1.00 0.00 C ATOM 522 CG LYS A 33 0.403 -9.773 6.650 1.00 0.00 C ATOM 523 CD LYS A 33 -0.771 -9.261 5.812 1.00 0.00 C ATOM 524 CE LYS A 33 -2.044 -9.101 6.653 1.00 0.00 C ATOM 525 NZ LYS A 33 -1.915 -8.108 7.741 1.00 0.00 N ATOM 0 H LYS A 33 2.781 -7.580 7.203 1.00 0.00 H new ATOM 0 HA LYS A 33 2.969 -10.499 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.756 -8.773 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.860 -10.522 5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.222 -10.813 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.454 -9.205 7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.508 -8.302 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.962 -9.953 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.866 -8.807 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.308 -10.067 7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.857 -7.750 7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.478 -8.557 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.319 -7.318 7.421 1.00 0.00 H new ATOM 539 N GLU A 34 4.898 -8.492 5.951 1.00 0.00 N ATOM 540 CA GLU A 34 6.129 -8.360 5.179 1.00 0.00 C ATOM 541 C GLU A 34 7.361 -8.329 6.099 1.00 0.00 C ATOM 542 O GLU A 34 8.442 -8.756 5.691 1.00 0.00 O ATOM 543 CB GLU A 34 6.020 -7.110 4.292 1.00 0.00 C ATOM 544 CG GLU A 34 6.882 -7.220 3.025 1.00 0.00 C ATOM 545 CD GLU A 34 6.116 -7.824 1.847 1.00 0.00 C ATOM 546 OE1 GLU A 34 5.965 -9.068 1.794 1.00 0.00 O ATOM 547 OE2 GLU A 34 5.717 -7.039 0.958 1.00 0.00 O ATOM 0 H GLU A 34 4.600 -7.620 6.388 1.00 0.00 H new ATOM 0 HA GLU A 34 6.262 -9.230 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.979 -6.957 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.327 -6.234 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.245 -6.230 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.758 -7.833 3.237 1.00 0.00 H new ATOM 554 N GLY A 35 7.216 -7.839 7.336 1.00 0.00 N ATOM 555 CA GLY A 35 8.283 -7.775 8.330 1.00 0.00 C ATOM 556 C GLY A 35 9.481 -6.927 7.915 1.00 0.00 C ATOM 557 O GLY A 35 10.622 -7.326 8.157 1.00 0.00 O ATOM 0 H GLY A 35 6.329 -7.468 7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.875 -7.375 9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.626 -8.788 8.542 1.00 0.00 H new ATOM 561 N ILE A 36 9.245 -5.786 7.269 1.00 0.00 N ATOM 562 CA ILE A 36 10.263 -4.843 6.805 1.00 0.00 C ATOM 563 C ILE A 36 9.899 -3.440 7.312 1.00 0.00 C ATOM 564 O ILE A 36 8.743 -3.223 7.692 1.00 0.00 O ATOM 565 CB ILE A 36 10.436 -4.935 5.265 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.152 -5.088 4.428 1.00 0.00 C ATOM 567 CG2 ILE A 36 11.347 -6.135 4.961 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.146 -3.942 4.566 1.00 0.00 C ATOM 0 H ILE A 36 8.298 -5.480 7.045 1.00 0.00 H new ATOM 0 HA ILE A 36 11.241 -5.093 7.216 1.00 0.00 H new ATOM 0 HB ILE A 36 10.850 -3.971 4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.430 -5.182 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.660 -6.018 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.485 -6.223 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.315 -5.988 5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.888 -7.047 5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.277 -4.143 3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.831 -3.858 5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.613 -3.008 4.252 1.00 0.00 H new ATOM 580 N PRO A 37 10.838 -2.480 7.339 1.00 0.00 N ATOM 581 CA PRO A 37 10.528 -1.143 7.816 1.00 0.00 C ATOM 582 C PRO A 37 9.661 -0.368 6.808 1.00 0.00 C ATOM 583 O PRO A 37 9.548 -0.755 5.647 1.00 0.00 O ATOM 584 CB PRO A 37 11.892 -0.469 8.009 1.00 0.00 C ATOM 585 CG PRO A 37 12.780 -1.152 6.972 1.00 0.00 C ATOM 586 CD PRO A 37 12.238 -2.579 6.940 1.00 0.00 C ATOM 0 HA PRO A 37 9.948 -1.168 8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.835 0.607 7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.272 -0.615 9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.705 -0.670 5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.831 -1.126 7.261 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.331 -3.011 5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.794 -3.224 7.620 1.00 0.00 H new ATOM 594 N PRO A 38 9.083 0.781 7.205 1.00 0.00 N ATOM 595 CA PRO A 38 8.271 1.622 6.333 1.00 0.00 C ATOM 596 C PRO A 38 9.073 2.220 5.157 1.00 0.00 C ATOM 597 O PRO A 38 8.471 2.822 4.265 1.00 0.00 O ATOM 598 CB PRO A 38 7.746 2.753 7.223 1.00 0.00 C ATOM 599 CG PRO A 38 7.936 2.267 8.652 1.00 0.00 C ATOM 600 CD PRO A 38 9.126 1.326 8.545 1.00 0.00 C ATOM 0 HA PRO A 38 7.477 1.028 5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.295 3.678 7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.696 2.961 7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.136 3.093 9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.049 1.754 9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.061 1.858 8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.065 0.533 9.291 1.00 0.00 H new ATOM 608 N ASP A 39 10.407 2.215 5.211 1.00 0.00 N ATOM 609 CA ASP A 39 11.296 2.712 4.156 1.00 0.00 C ATOM 610 C ASP A 39 11.663 1.509 3.276 1.00 0.00 C ATOM 611 O ASP A 39 11.345 0.382 3.646 1.00 0.00 O ATOM 612 CB ASP A 39 12.531 3.374 4.768 1.00 0.00 C ATOM 613 CG ASP A 39 13.284 4.196 3.721 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.228 3.677 3.093 1.00 0.00 O ATOM 615 OD2 ASP A 39 12.932 5.389 3.532 1.00 0.00 O ATOM 0 H ASP A 39 10.916 1.853 6.017 1.00 0.00 H new ATOM 0 HA ASP A 39 10.808 3.476 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.231 4.018 5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.191 2.611 5.181 1.00 0.00 H new ATOM 620 N GLN A 40 12.295 1.685 2.108 1.00 0.00 N ATOM 621 CA GLN A 40 12.641 0.562 1.225 1.00 0.00 C ATOM 622 C GLN A 40 11.377 -0.226 0.806 1.00 0.00 C ATOM 623 O GLN A 40 11.470 -1.316 0.249 1.00 0.00 O ATOM 624 CB GLN A 40 13.765 -0.275 1.878 1.00 0.00 C ATOM 625 CG GLN A 40 14.419 -1.352 0.992 1.00 0.00 C ATOM 626 CD GLN A 40 15.709 -1.899 1.604 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.159 -1.470 2.666 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.366 -2.846 0.959 1.00 0.00 N ATOM 0 H GLN A 40 12.578 2.598 1.751 1.00 0.00 H new ATOM 0 HA GLN A 40 13.049 0.922 0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.544 0.406 2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.358 -0.762 2.764 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.716 -2.171 0.840 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.635 -0.930 0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.003 -3.209 0.078 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.237 -3.214 1.342 1.00 0.00 H new ATOM 637 N ASN A 41 10.175 0.338 0.985 1.00 0.00 N ATOM 638 CA ASN A 41 8.916 -0.305 0.647 1.00 0.00 C ATOM 639 C ASN A 41 7.851 0.772 0.445 1.00 0.00 C ATOM 640 O ASN A 41 7.710 1.646 1.301 1.00 0.00 O ATOM 641 CB ASN A 41 8.527 -1.249 1.800 1.00 0.00 C ATOM 642 CG ASN A 41 8.215 -2.641 1.291 1.00 0.00 C ATOM 643 OD1 ASN A 41 7.059 -3.034 1.244 1.00 0.00 O ATOM 644 ND2 ASN A 41 9.213 -3.398 0.865 1.00 0.00 N ATOM 0 H ASN A 41 10.058 1.272 1.377 1.00 0.00 H new ATOM 0 HA ASN A 41 9.006 -0.884 -0.272 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.341 -1.298 2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.659 -0.848 2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.024 -4.327 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.171 -3.052 0.912 1.00 0.00 H new ATOM 651 N ARG A 42 7.106 0.742 -0.664 1.00 0.00 N ATOM 652 CA ARG A 42 6.068 1.715 -0.977 1.00 0.00 C ATOM 653 C ARG A 42 4.965 1.039 -1.787 1.00 0.00 C ATOM 654 O ARG A 42 5.266 0.192 -2.632 1.00 0.00 O ATOM 655 CB ARG A 42 6.753 2.860 -1.741 1.00 0.00 C ATOM 656 CG ARG A 42 5.954 3.450 -2.909 1.00 0.00 C ATOM 657 CD ARG A 42 6.868 4.357 -3.715 1.00 0.00 C ATOM 658 NE ARG A 42 7.000 5.682 -3.100 1.00 0.00 N ATOM 659 CZ ARG A 42 7.650 6.726 -3.613 1.00 0.00 C ATOM 660 NH1 ARG A 42 8.398 6.578 -4.701 1.00 0.00 N ATOM 661 NH2 ARG A 42 7.561 7.905 -3.021 1.00 0.00 N ATOM 0 H ARG A 42 7.214 0.024 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 42 5.590 2.117 -0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.976 3.661 -1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.707 2.497 -2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.562 2.652 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.098 4.012 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.852 3.897 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.475 4.463 -4.726 1.00 0.00 H new ATOM 0 HE ARG A 42 6.552 5.817 -2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.476 5.663 -5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.894 7.379 -5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.998 8.011 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.056 8.709 -3.408 1.00 0.00 H new ATOM 675 N LEU A 43 3.718 1.460 -1.562 1.00 0.00 N ATOM 676 CA LEU A 43 2.529 0.950 -2.238 1.00 0.00 C ATOM 677 C LEU A 43 2.222 1.785 -3.482 1.00 0.00 C ATOM 678 O LEU A 43 2.502 2.986 -3.538 1.00 0.00 O ATOM 679 CB LEU A 43 1.301 1.024 -1.309 1.00 0.00 C ATOM 680 CG LEU A 43 1.152 -0.062 -0.229 1.00 0.00 C ATOM 681 CD1 LEU A 43 0.907 -1.450 -0.827 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.317 -0.064 0.769 1.00 0.00 C ATOM 0 H LEU A 43 3.504 2.189 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 43 2.730 -0.085 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.317 1.993 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.407 1.001 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 43 0.258 0.197 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.809 -2.180 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.009 -1.435 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.746 -1.724 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.161 -0.849 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.251 -0.246 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.368 0.902 1.271 1.00 0.00 H new ATOM 694 N ILE A 44 1.556 1.163 -4.455 1.00 0.00 N ATOM 695 CA ILE A 44 1.134 1.725 -5.733 1.00 0.00 C ATOM 696 C ILE A 44 -0.287 1.197 -6.011 1.00 0.00 C ATOM 697 O ILE A 44 -0.606 0.124 -5.523 1.00 0.00 O ATOM 698 CB ILE A 44 2.108 1.204 -6.820 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.620 1.372 -6.538 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.798 1.718 -8.233 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.140 2.814 -6.478 1.00 0.00 C ATOM 0 H ILE A 44 1.279 0.186 -4.362 1.00 0.00 H new ATOM 0 HA ILE A 44 1.138 2.815 -5.727 1.00 0.00 H new ATOM 0 HB ILE A 44 1.906 0.134 -6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.848 0.885 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.174 0.839 -7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.523 1.309 -8.936 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.795 1.404 -8.522 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.855 2.806 -8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.211 2.806 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.955 3.307 -7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.624 3.354 -5.684 1.00 0.00 H new ATOM 713 N PHE A 45 -1.123 1.877 -6.801 1.00 0.00 N ATOM 714 CA PHE A 45 -2.489 1.493 -7.199 1.00 0.00 C ATOM 715 C PHE A 45 -2.589 1.918 -8.664 1.00 0.00 C ATOM 716 O PHE A 45 -2.751 3.104 -8.963 1.00 0.00 O ATOM 717 CB PHE A 45 -3.565 2.202 -6.359 1.00 0.00 C ATOM 718 CG PHE A 45 -4.951 2.068 -6.961 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.630 3.204 -7.443 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.518 0.791 -7.125 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.872 3.065 -8.085 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.739 0.651 -7.813 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.423 1.787 -8.279 1.00 0.00 C ATOM 0 H PHE A 45 -0.849 2.771 -7.209 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.662 0.427 -7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.568 1.786 -5.351 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.312 3.258 -6.267 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.195 4.185 -7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.019 -0.079 -6.725 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.403 3.940 -8.429 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.151 -0.333 -7.983 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.371 1.678 -8.785 1.00 0.00 H new ATOM 733 N ALA A 46 -2.553 0.953 -9.583 1.00 0.00 N ATOM 734 CA ALA A 46 -2.615 1.153 -11.027 1.00 0.00 C ATOM 735 C ALA A 46 -1.584 2.211 -11.432 1.00 0.00 C ATOM 736 O ALA A 46 -1.922 3.255 -11.998 1.00 0.00 O ATOM 737 CB ALA A 46 -4.045 1.493 -11.459 1.00 0.00 C ATOM 0 H ALA A 46 -2.476 -0.032 -9.328 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.357 0.234 -11.552 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.074 1.639 -12.539 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.712 0.675 -11.186 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.368 2.407 -10.960 1.00 0.00 H new ATOM 743 N GLY A 47 -0.332 1.975 -11.046 1.00 0.00 N ATOM 744 CA GLY A 47 0.802 2.843 -11.313 1.00 0.00 C ATOM 745 C GLY A 47 0.854 4.092 -10.434 1.00 0.00 C ATOM 746 O GLY A 47 1.939 4.661 -10.290 1.00 0.00 O ATOM 0 H GLY A 47 -0.075 1.141 -10.519 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.721 2.275 -11.173 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.773 3.149 -12.359 1.00 0.00 H new ATOM 750 N LYS A 48 -0.250 4.547 -9.827 1.00 0.00 N ATOM 751 CA LYS A 48 -0.249 5.738 -8.992 1.00 0.00 C ATOM 752 C LYS A 48 0.509 5.417 -7.719 1.00 0.00 C ATOM 753 O LYS A 48 0.223 4.411 -7.082 1.00 0.00 O ATOM 754 CB LYS A 48 -1.677 6.214 -8.709 1.00 0.00 C ATOM 755 CG LYS A 48 -1.610 7.514 -7.902 1.00 0.00 C ATOM 756 CD LYS A 48 -2.867 8.371 -8.012 1.00 0.00 C ATOM 757 CE LYS A 48 -2.906 9.064 -9.379 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.866 10.191 -9.381 1.00 0.00 N ATOM 0 H LYS A 48 -1.162 4.096 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 48 0.246 6.561 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.213 6.377 -9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.226 5.453 -8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.437 7.272 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.753 8.097 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.754 7.750 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.881 9.116 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.911 9.430 -9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.186 8.343 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.871 10.641 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.819 9.836 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.583 10.889 -8.664 1.00 0.00 H new ATOM 772 N GLN A 49 1.484 6.253 -7.386 1.00 0.00 N ATOM 773 CA GLN A 49 2.330 6.099 -6.213 1.00 0.00 C ATOM 774 C GLN A 49 1.533 6.596 -5.011 1.00 0.00 C ATOM 775 O GLN A 49 0.863 7.623 -5.128 1.00 0.00 O ATOM 776 CB GLN A 49 3.644 6.886 -6.393 1.00 0.00 C ATOM 777 CG GLN A 49 4.376 6.620 -7.726 1.00 0.00 C ATOM 778 CD GLN A 49 3.920 7.550 -8.857 1.00 0.00 C ATOM 779 OE1 GLN A 49 4.382 8.681 -8.974 1.00 0.00 O ATOM 780 NE2 GLN A 49 2.975 7.159 -9.697 1.00 0.00 N ATOM 0 H GLN A 49 1.713 7.078 -7.940 1.00 0.00 H new ATOM 0 HA GLN A 49 2.609 5.056 -6.063 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.427 7.952 -6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.315 6.640 -5.570 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.449 6.740 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.210 5.585 -8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.577 6.223 -9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.644 7.794 -10.424 1.00 0.00 H new ATOM 789 N LEU A 50 1.619 5.898 -3.876 1.00 0.00 N ATOM 790 CA LEU A 50 0.885 6.229 -2.658 1.00 0.00 C ATOM 791 C LEU A 50 1.864 6.351 -1.496 1.00 0.00 C ATOM 792 O LEU A 50 2.822 5.575 -1.428 1.00 0.00 O ATOM 793 CB LEU A 50 -0.124 5.095 -2.366 1.00 0.00 C ATOM 794 CG LEU A 50 -0.974 4.635 -3.571 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.757 3.372 -3.234 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.946 5.716 -4.046 1.00 0.00 C ATOM 0 H LEU A 50 2.211 5.073 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 50 0.357 7.174 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.424 4.235 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.796 5.425 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.273 4.429 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.347 3.068 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.064 2.574 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.421 3.569 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.519 5.342 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.626 5.976 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.386 6.601 -4.348 1.00 0.00 H new ATOM 808 N GLU A 51 1.646 7.296 -0.582 1.00 0.00 N ATOM 809 CA GLU A 51 2.494 7.503 0.580 1.00 0.00 C ATOM 810 C GLU A 51 1.686 8.167 1.698 1.00 0.00 C ATOM 811 O GLU A 51 0.569 8.645 1.483 1.00 0.00 O ATOM 812 CB GLU A 51 3.725 8.336 0.188 1.00 0.00 C ATOM 813 CG GLU A 51 3.475 9.848 0.145 1.00 0.00 C ATOM 814 CD GLU A 51 4.507 10.560 -0.726 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.651 10.774 -0.265 1.00 0.00 O ATOM 816 OE2 GLU A 51 4.194 10.896 -1.895 1.00 0.00 O ATOM 0 H GLU A 51 0.862 7.946 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 51 2.852 6.543 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.528 8.132 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.074 8.009 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.475 10.042 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.509 10.253 1.157 1.00 0.00 H new ATOM 823 N ASP A 52 2.246 8.173 2.904 1.00 0.00 N ATOM 824 CA ASP A 52 1.641 8.775 4.081 1.00 0.00 C ATOM 825 C ASP A 52 1.574 10.287 3.909 1.00 0.00 C ATOM 826 O ASP A 52 2.534 10.919 3.464 1.00 0.00 O ATOM 827 CB ASP A 52 2.397 8.408 5.364 1.00 0.00 C ATOM 828 CG ASP A 52 3.883 8.761 5.315 1.00 0.00 C ATOM 829 OD1 ASP A 52 4.355 9.536 6.178 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.624 8.221 4.455 1.00 0.00 O ATOM 0 H ASP A 52 3.154 7.749 3.091 1.00 0.00 H new ATOM 0 HA ASP A 52 0.631 8.379 4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.937 8.922 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.291 7.339 5.546 1.00 0.00 H new ATOM 835 N GLY A 53 0.419 10.851 4.259 1.00 0.00 N ATOM 836 CA GLY A 53 0.101 12.269 4.176 1.00 0.00 C ATOM 837 C GLY A 53 -1.315 12.501 3.651 1.00 0.00 C ATOM 838 O GLY A 53 -1.819 13.619 3.765 1.00 0.00 O ATOM 0 H GLY A 53 -0.357 10.300 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.203 12.723 5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.818 12.765 3.521 1.00 0.00 H new ATOM 842 N ARG A 54 -1.960 11.473 3.082 1.00 0.00 N ATOM 843 CA ARG A 54 -3.314 11.512 2.540 1.00 0.00 C ATOM 844 C ARG A 54 -4.070 10.252 2.945 1.00 0.00 C ATOM 845 O ARG A 54 -3.496 9.362 3.588 1.00 0.00 O ATOM 846 CB ARG A 54 -3.321 11.657 1.027 1.00 0.00 C ATOM 847 CG ARG A 54 -2.150 12.461 0.480 1.00 0.00 C ATOM 848 CD ARG A 54 -2.548 12.875 -0.914 1.00 0.00 C ATOM 849 NE ARG A 54 -1.363 13.223 -1.701 1.00 0.00 N ATOM 850 CZ ARG A 54 -1.202 13.056 -3.011 1.00 0.00 C ATOM 851 NH1 ARG A 54 -2.169 12.559 -3.773 1.00 0.00 N ATOM 852 NH2 ARG A 54 -0.041 13.405 -3.540 1.00 0.00 N ATOM 0 H ARG A 54 -1.528 10.554 2.986 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.809 12.390 2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.310 10.665 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.252 12.135 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.949 13.332 1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.239 11.863 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.090 12.064 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.225 13.728 -0.868 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.581 13.636 -1.193 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.062 12.295 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.019 12.441 -4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.695 13.788 -2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.118 13.291 -4.541 1.00 0.00 H new ATOM 866 N THR A 55 -5.323 10.156 2.516 1.00 0.00 N ATOM 867 CA THR A 55 -6.199 9.028 2.785 1.00 0.00 C ATOM 868 C THR A 55 -6.448 8.194 1.543 1.00 0.00 C ATOM 869 O THR A 55 -6.169 8.599 0.410 1.00 0.00 O ATOM 870 CB THR A 55 -7.536 9.490 3.375 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.202 10.398 2.517 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.384 10.094 4.757 1.00 0.00 C ATOM 0 H THR A 55 -5.768 10.883 1.956 1.00 0.00 H new ATOM 0 HA THR A 55 -5.686 8.404 3.517 1.00 0.00 H new ATOM 0 HB THR A 55 -8.147 8.592 3.471 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.780 11.280 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.361 10.404 5.128 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.958 9.353 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.724 10.960 4.705 1.00 0.00 H new ATOM 880 N LEU A 56 -7.029 7.017 1.762 1.00 0.00 N ATOM 881 CA LEU A 56 -7.369 6.099 0.694 1.00 0.00 C ATOM 882 C LEU A 56 -8.399 6.752 -0.232 1.00 0.00 C ATOM 883 O LEU A 56 -8.373 6.516 -1.443 1.00 0.00 O ATOM 884 CB LEU A 56 -7.929 4.822 1.323 1.00 0.00 C ATOM 885 CG LEU A 56 -7.667 3.584 0.453 1.00 0.00 C ATOM 886 CD1 LEU A 56 -6.987 2.496 1.279 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.959 3.037 -0.147 1.00 0.00 C ATOM 0 H LEU A 56 -7.276 6.678 2.692 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.489 5.853 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.480 4.675 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.002 4.935 1.477 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.013 3.887 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.806 1.623 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.038 2.870 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.631 2.217 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.735 2.161 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.642 2.756 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.424 3.802 -0.768 1.00 0.00 H new ATOM 899 N SER A 57 -9.296 7.571 0.335 1.00 0.00 N ATOM 900 CA SER A 57 -10.311 8.264 -0.450 1.00 0.00 C ATOM 901 C SER A 57 -9.675 9.446 -1.189 1.00 0.00 C ATOM 902 O SER A 57 -10.092 9.728 -2.312 1.00 0.00 O ATOM 903 CB SER A 57 -11.499 8.709 0.408 1.00 0.00 C ATOM 904 OG SER A 57 -12.701 8.604 -0.326 1.00 0.00 O ATOM 0 H SER A 57 -9.334 7.766 1.336 1.00 0.00 H new ATOM 0 HA SER A 57 -10.711 7.565 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.558 8.094 1.306 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.354 9.738 0.736 1.00 0.00 H new ATOM 0 HG SER A 57 -13.453 8.890 0.234 1.00 0.00 H new ATOM 910 N ASP A 58 -8.658 10.120 -0.626 1.00 0.00 N ATOM 911 CA ASP A 58 -7.992 11.248 -1.299 1.00 0.00 C ATOM 912 C ASP A 58 -7.370 10.717 -2.585 1.00 0.00 C ATOM 913 O ASP A 58 -7.493 11.338 -3.641 1.00 0.00 O ATOM 914 CB ASP A 58 -6.861 11.886 -0.481 1.00 0.00 C ATOM 915 CG ASP A 58 -7.320 12.744 0.686 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.767 12.546 1.790 1.00 0.00 O ATOM 917 OD2 ASP A 58 -8.201 13.615 0.511 1.00 0.00 O ATOM 0 H ASP A 58 -8.279 9.903 0.295 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.751 12.014 -1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.217 11.094 -0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.252 12.499 -1.146 1.00 0.00 H new ATOM 922 N TYR A 59 -6.712 9.557 -2.506 1.00 0.00 N ATOM 923 CA TYR A 59 -6.086 8.904 -3.650 1.00 0.00 C ATOM 924 C TYR A 59 -7.137 8.215 -4.539 1.00 0.00 C ATOM 925 O TYR A 59 -6.798 7.734 -5.623 1.00 0.00 O ATOM 926 CB TYR A 59 -5.062 7.880 -3.141 1.00 0.00 C ATOM 927 CG TYR A 59 -3.719 8.478 -2.752 1.00 0.00 C ATOM 928 CD1 TYR A 59 -2.846 8.951 -3.751 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.312 8.518 -1.405 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.564 9.417 -3.412 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.034 8.994 -1.060 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.148 9.432 -2.065 1.00 0.00 C ATOM 933 OH TYR A 59 0.106 9.837 -1.731 1.00 0.00 O ATOM 0 H TYR A 59 -6.600 9.042 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.584 9.657 -4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.481 7.364 -2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.902 7.129 -3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.163 8.956 -4.783 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.986 8.181 -0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.896 9.765 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.731 9.024 -0.024 1.00 0.00 H new ATOM 0 HH TYR A 59 0.153 9.992 -0.764 1.00 0.00 H new ATOM 943 N ASN A 60 -8.403 8.211 -4.114 1.00 0.00 N ATOM 944 CA ASN A 60 -9.582 7.621 -4.729 1.00 0.00 C ATOM 945 C ASN A 60 -9.313 6.202 -5.220 1.00 0.00 C ATOM 946 O ASN A 60 -9.174 5.936 -6.417 1.00 0.00 O ATOM 947 CB ASN A 60 -10.240 8.508 -5.792 1.00 0.00 C ATOM 948 CG ASN A 60 -11.465 7.811 -6.321 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.248 7.204 -5.591 1.00 0.00 O ATOM 950 ND2 ASN A 60 -11.551 7.743 -7.627 1.00 0.00 N ATOM 0 H ASN A 60 -8.646 8.671 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.327 7.549 -3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.511 9.472 -5.362 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.540 8.706 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.280 7.177 -8.061 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.889 8.256 -8.209 1.00 0.00 H new ATOM 957 N ILE A 61 -9.262 5.281 -4.268 1.00 0.00 N ATOM 958 CA ILE A 61 -9.030 3.862 -4.488 1.00 0.00 C ATOM 959 C ILE A 61 -10.324 3.155 -4.071 1.00 0.00 C ATOM 960 O ILE A 61 -10.936 3.510 -3.056 1.00 0.00 O ATOM 961 CB ILE A 61 -7.785 3.402 -3.691 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.550 4.282 -3.999 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.489 1.917 -3.969 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.326 3.939 -3.148 1.00 0.00 C ATOM 0 H ILE A 61 -9.386 5.512 -3.282 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.809 3.621 -5.528 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.006 3.519 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.291 4.175 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.811 5.328 -3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.611 1.609 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.345 1.313 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.301 1.777 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.499 4.596 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.567 4.074 -2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.039 2.902 -3.325 1.00 0.00 H new ATOM 976 N GLN A 62 -10.763 2.170 -4.855 1.00 0.00 N ATOM 977 CA GLN A 62 -11.975 1.398 -4.603 1.00 0.00 C ATOM 978 C GLN A 62 -11.608 0.021 -4.037 1.00 0.00 C ATOM 979 O GLN A 62 -10.426 -0.334 -3.967 1.00 0.00 O ATOM 980 CB GLN A 62 -12.823 1.296 -5.885 1.00 0.00 C ATOM 981 CG GLN A 62 -13.221 2.662 -6.476 1.00 0.00 C ATOM 982 CD GLN A 62 -12.074 3.359 -7.211 1.00 0.00 C ATOM 983 OE1 GLN A 62 -11.397 2.760 -8.041 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.794 4.614 -6.906 1.00 0.00 N ATOM 0 H GLN A 62 -10.273 1.882 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.584 1.908 -3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.266 0.734 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.727 0.727 -5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.054 2.523 -7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.575 3.308 -5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.359 5.109 -6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.013 5.087 -7.361 1.00 0.00 H new ATOM 993 N LYS A 63 -12.615 -0.737 -3.596 1.00 0.00 N ATOM 994 CA LYS A 63 -12.427 -2.073 -3.038 1.00 0.00 C ATOM 995 C LYS A 63 -11.844 -3.014 -4.089 1.00 0.00 C ATOM 996 O LYS A 63 -11.956 -2.776 -5.294 1.00 0.00 O ATOM 997 CB LYS A 63 -13.767 -2.632 -2.516 1.00 0.00 C ATOM 998 CG LYS A 63 -14.779 -2.882 -3.651 1.00 0.00 C ATOM 999 CD LYS A 63 -16.110 -3.448 -3.159 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.036 -3.654 -4.359 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.370 -4.144 -3.963 1.00 0.00 N ATOM 0 H LYS A 63 -13.589 -0.436 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.727 -2.001 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.586 -3.565 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.195 -1.932 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.963 -1.946 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.342 -3.573 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.949 -4.393 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.568 -2.766 -2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.143 -2.712 -4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.581 -4.365 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.960 -4.268 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.273 -5.056 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.818 -3.454 -3.327 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.276 -4.116 -3.612 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.669 -5.189 -4.385 1.00 0.00 C ATOM 1017 C GLU A 64 -9.753 -4.676 -5.503 1.00 0.00 C ATOM 1018 O GLU A 64 -9.755 -5.171 -6.634 1.00 0.00 O ATOM 1019 CB GLU A 64 -11.768 -6.195 -4.771 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.177 -6.969 -3.504 1.00 0.00 C ATOM 1021 CD GLU A 64 -13.254 -8.020 -3.749 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.316 -7.922 -3.088 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -13.013 -8.960 -4.536 1.00 0.00 O ATOM 0 H GLU A 64 -11.225 -4.293 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.953 -5.750 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.628 -5.675 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.404 -6.882 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.296 -7.455 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.536 -6.261 -2.757 1.00 0.00 H new ATOM 1030 N SER A 65 -9.009 -3.614 -5.190 1.00 0.00 N ATOM 1031 CA SER A 65 -8.032 -2.986 -6.065 1.00 0.00 C ATOM 1032 C SER A 65 -6.796 -3.906 -6.074 1.00 0.00 C ATOM 1033 O SER A 65 -6.755 -4.863 -5.296 1.00 0.00 O ATOM 1034 CB SER A 65 -7.759 -1.558 -5.566 1.00 0.00 C ATOM 1035 OG SER A 65 -7.991 -1.386 -4.181 1.00 0.00 O ATOM 0 H SER A 65 -9.077 -3.153 -4.282 1.00 0.00 H new ATOM 0 HA SER A 65 -8.376 -2.874 -7.093 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.724 -1.297 -5.787 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.389 -0.862 -6.120 1.00 0.00 H new ATOM 0 HG SER A 65 -8.946 -1.229 -4.026 1.00 0.00 H new ATOM 1041 N THR A 66 -5.791 -3.660 -6.926 1.00 0.00 N ATOM 1042 CA THR A 66 -4.622 -4.532 -6.965 1.00 0.00 C ATOM 1043 C THR A 66 -3.464 -3.584 -6.909 1.00 0.00 C ATOM 1044 O THR A 66 -3.085 -2.970 -7.911 1.00 0.00 O ATOM 1045 CB THR A 66 -4.589 -5.483 -8.173 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.794 -6.215 -8.252 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.415 -6.461 -8.026 1.00 0.00 C ATOM 0 H THR A 66 -5.768 -2.880 -7.583 1.00 0.00 H new ATOM 0 HA THR A 66 -4.614 -5.237 -6.134 1.00 0.00 H new ATOM 0 HB THR A 66 -4.468 -4.892 -9.081 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.762 -6.816 -9.026 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.393 -7.134 -8.883 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.480 -5.903 -7.979 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.537 -7.041 -7.112 1.00 0.00 H new ATOM 1055 N LEU A 67 -3.011 -3.364 -5.689 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.913 -2.486 -5.413 1.00 0.00 C ATOM 1057 C LEU A 67 -0.632 -3.249 -5.726 1.00 0.00 C ATOM 1058 O LEU A 67 -0.638 -4.476 -5.846 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.978 -2.020 -3.944 1.00 0.00 C ATOM 1060 CG LEU A 67 -3.054 -0.938 -3.697 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.490 -1.477 -3.727 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.831 -0.251 -2.350 1.00 0.00 C ATOM 0 H LEU A 67 -3.408 -3.801 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.949 -1.586 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.182 -2.879 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.004 -1.629 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.944 -0.232 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.189 -0.660 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.693 -1.918 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.610 -2.236 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.599 0.507 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.886 -0.990 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.849 0.221 -2.341 1.00 0.00 H new ATOM 1074 N HIS A 68 0.459 -2.522 -5.906 1.00 0.00 N ATOM 1075 CA HIS A 68 1.769 -3.080 -6.192 1.00 0.00 C ATOM 1076 C HIS A 68 2.709 -2.607 -5.098 1.00 0.00 C ATOM 1077 O HIS A 68 2.430 -1.608 -4.424 1.00 0.00 O ATOM 1078 CB HIS A 68 2.258 -2.663 -7.587 1.00 0.00 C ATOM 1079 CG HIS A 68 3.340 -3.573 -8.096 1.00 0.00 C ATOM 1080 ND1 HIS A 68 4.682 -3.376 -7.877 1.00 0.00 N ATOM 1081 CD2 HIS A 68 3.170 -4.810 -8.651 1.00 0.00 C ATOM 1082 CE1 HIS A 68 5.310 -4.510 -8.228 1.00 0.00 C ATOM 1083 NE2 HIS A 68 4.437 -5.391 -8.748 1.00 0.00 N ATOM 0 H HIS A 68 0.457 -1.503 -5.856 1.00 0.00 H new ATOM 0 HA HIS A 68 1.729 -4.169 -6.203 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.419 -2.671 -8.283 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.632 -1.640 -7.550 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.234 -5.254 -8.957 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.368 -4.689 -8.109 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.657 -6.307 -9.138 1.00 0.00 H new ATOM 1090 N LEU A 69 3.820 -3.310 -4.936 1.00 0.00 N ATOM 1091 CA LEU A 69 4.840 -3.024 -3.958 1.00 0.00 C ATOM 1092 C LEU A 69 6.169 -2.925 -4.662 1.00 0.00 C ATOM 1093 O LEU A 69 6.595 -3.835 -5.367 1.00 0.00 O ATOM 1094 CB LEU A 69 4.897 -4.122 -2.900 1.00 0.00 C ATOM 1095 CG LEU A 69 3.864 -3.926 -1.789 1.00 0.00 C ATOM 1096 CD1 LEU A 69 3.832 -5.185 -0.936 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.227 -2.747 -0.882 1.00 0.00 C ATOM 0 H LEU A 69 4.037 -4.126 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 69 4.606 -2.083 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.733 -5.089 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.895 -4.147 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 69 2.898 -3.725 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.100 -5.065 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.555 -6.038 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.817 -5.356 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.470 -2.639 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.198 -2.928 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.272 -1.833 -1.474 1.00 0.00 H new ATOM 1109 N VAL A 70 6.789 -1.773 -4.481 1.00 0.00 N ATOM 1110 CA VAL A 70 8.087 -1.413 -5.009 1.00 0.00 C ATOM 1111 C VAL A 70 8.857 -0.833 -3.825 1.00 0.00 C ATOM 1112 O VAL A 70 8.368 -0.843 -2.686 1.00 0.00 O ATOM 1113 CB VAL A 70 7.959 -0.459 -6.217 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.336 -1.163 -7.429 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.132 0.793 -5.898 1.00 0.00 C ATOM 0 H VAL A 70 6.374 -1.022 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 70 8.629 -2.266 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 70 8.978 -0.151 -6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.262 -0.461 -8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.962 -2.006 -7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.341 -1.523 -7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.075 1.427 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.126 0.498 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.606 1.345 -5.086 1.00 0.00 H new ATOM 1125 N LEU A 71 10.073 -0.348 -4.054 1.00 0.00 N ATOM 1126 CA LEU A 71 10.884 0.241 -3.002 1.00 0.00 C ATOM 1127 C LEU A 71 11.234 1.670 -3.368 1.00 0.00 C ATOM 1128 O LEU A 71 11.080 2.100 -4.513 1.00 0.00 O ATOM 1129 CB LEU A 71 12.078 -0.664 -2.652 1.00 0.00 C ATOM 1130 CG LEU A 71 13.117 -0.968 -3.745 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.168 0.140 -3.870 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.824 -2.274 -3.362 1.00 0.00 C ATOM 0 H LEU A 71 10.520 -0.353 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 71 10.319 0.305 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.604 -0.208 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.680 -1.616 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 71 12.603 -1.043 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.879 -0.120 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.677 1.080 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.696 0.249 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.570 -2.519 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.314 -2.153 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.092 -3.079 -3.299 1.00 0.00 H new