USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 548 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 49 GLN : amide:sc= 0.219 K(o=0.18,f=-9!) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.173 K(o=0.18,f=-10!) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 0.132 K(o=0.18,f=-4.6!) USER MOD Set 2.1: A 39 HIS : no HE2:sc= -0.417 K(o=0.38,f=-3.5!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.798 K(o=0.38,f=-4.5!) USER MOD Set 3.1: A 26 HIS : no HD1:sc= -0.559 X(o=0.51,f=0.46) USER MOD Set 3.2: A 30 TYR OH : rot 27:sc= 1.07 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -94:sc= -0.0694 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 3.05 (180deg=2.68) USER MOD Single : A 15 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-4.5!) USER MOD Single : A 16 ASN : amide:sc= -0.506 K(o=-0.51,f=-8.1!) USER MOD Single : A 20 SER OG : rot 41:sc= 0.146 USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.0157 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= -0.144 (180deg=-0.155) USER MOD Single : A 33 THR OG1 : rot 76:sc= 1.48 USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0908) USER MOD Single : A 55 THR OG1 : rot 21:sc= 0.91 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -47:sc= 2.15 USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= 0.575 (180deg=-2.45!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -6.816 12.778 -0.684 1.00 10.00 N ATOM 52 CA TYR A 6 -7.871 11.845 -1.010 1.00 10.00 C ATOM 53 C TYR A 6 -7.856 11.258 -2.405 1.00 10.00 C ATOM 54 O TYR A 6 -7.356 11.808 -3.388 1.00 10.00 O ATOM 55 CB TYR A 6 -9.281 12.339 -0.667 1.00 10.00 C ATOM 56 CG TYR A 6 -9.688 12.230 0.774 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.860 10.941 1.278 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.083 13.337 1.546 1.00 10.00 C ATOM 59 CE1 TYR A 6 -10.221 10.740 2.610 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.544 13.132 2.861 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.550 11.839 3.416 1.00 10.00 C ATOM 62 OH TYR A 6 -10.914 11.652 4.715 1.00 10.00 O ATOM 0 HA TYR A 6 -7.616 11.023 -0.341 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.361 13.384 -0.968 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -9.996 11.778 -1.269 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -9.712 10.090 0.630 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.033 14.334 1.135 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -10.247 9.741 3.019 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.894 13.970 3.445 1.00 10.00 H new ATOM 0 HH TYR A 6 -11.107 12.519 5.129 1.00 10.00 H new ATOM 72 N TYR A 7 -8.436 10.069 -2.417 1.00 10.00 N ATOM 73 CA TYR A 7 -8.453 9.145 -3.494 1.00 10.00 C ATOM 74 C TYR A 7 -9.574 8.157 -3.199 1.00 10.00 C ATOM 75 O TYR A 7 -9.811 7.801 -2.046 1.00 10.00 O ATOM 76 CB TYR A 7 -7.075 8.500 -3.461 1.00 10.00 C ATOM 77 CG TYR A 7 -6.062 9.108 -4.423 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.453 9.597 -5.686 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.781 9.423 -3.939 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.611 10.467 -6.399 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.913 10.241 -4.678 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.322 10.748 -5.920 1.00 10.00 C ATOM 83 OH TYR A 7 -3.541 11.644 -6.583 1.00 10.00 O ATOM 0 H TYR A 7 -8.940 9.716 -1.603 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.637 9.572 -4.480 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.680 8.571 -2.447 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.180 7.439 -3.689 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.403 9.302 -6.107 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.460 9.030 -2.985 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.956 10.920 -7.317 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.933 10.479 -4.292 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.679 11.729 -6.125 1.00 10.00 H new ATOM 93 N THR A 8 -10.314 7.779 -4.229 1.00 10.00 N ATOM 94 CA THR A 8 -11.551 7.033 -4.099 1.00 10.00 C ATOM 95 C THR A 8 -11.253 5.547 -4.260 1.00 10.00 C ATOM 96 O THR A 8 -10.259 5.178 -4.883 1.00 10.00 O ATOM 97 CB THR A 8 -12.502 7.538 -5.186 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.818 7.505 -6.421 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.892 8.993 -4.923 1.00 10.00 C ATOM 0 H THR A 8 -10.065 7.987 -5.196 1.00 10.00 H new ATOM 0 HA THR A 8 -12.012 7.174 -3.121 1.00 10.00 H new ATOM 0 HB THR A 8 -13.394 6.911 -5.194 1.00 10.00 H new ATOM 0 HG1 THR A 8 -11.417 8.382 -6.597 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.569 9.336 -5.706 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.389 9.067 -3.956 1.00 10.00 H new ATOM 0 HG23 THR A 8 -11.997 9.615 -4.920 1.00 10.00 H new ATOM 107 N LEU A 9 -12.109 4.683 -3.721 1.00 10.00 N ATOM 108 CA LEU A 9 -11.983 3.239 -3.885 1.00 10.00 C ATOM 109 C LEU A 9 -11.920 2.870 -5.375 1.00 10.00 C ATOM 110 O LEU A 9 -11.087 2.062 -5.779 1.00 10.00 O ATOM 111 CB LEU A 9 -13.065 2.558 -3.037 1.00 10.00 C ATOM 112 CG LEU A 9 -13.540 1.170 -3.501 1.00 10.00 C ATOM 113 CD1 LEU A 9 -14.014 0.364 -2.284 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.702 1.256 -4.500 1.00 10.00 C ATOM 0 H LEU A 9 -12.911 4.966 -3.157 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.038 2.854 -3.501 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.689 2.465 -2.018 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.932 3.218 -2.998 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.697 0.688 -3.995 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.351 -0.620 -2.609 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.190 0.251 -1.579 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.837 0.888 -1.799 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -15.001 0.251 -4.797 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.547 1.763 -4.033 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.385 1.815 -5.380 1.00 10.00 H new ATOM 126 N GLU A 10 -12.723 3.557 -6.194 1.00 10.00 N ATOM 127 CA GLU A 10 -12.668 3.565 -7.655 1.00 10.00 C ATOM 128 C GLU A 10 -11.224 3.576 -8.169 1.00 10.00 C ATOM 129 O GLU A 10 -10.811 2.743 -8.982 1.00 10.00 O ATOM 130 CB GLU A 10 -13.426 4.821 -8.113 1.00 10.00 C ATOM 131 CG GLU A 10 -13.427 5.114 -9.618 1.00 10.00 C ATOM 132 CD GLU A 10 -13.935 3.953 -10.457 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.046 3.471 -10.162 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.183 3.577 -11.384 1.00 10.00 O ATOM 0 H GLU A 10 -13.468 4.154 -5.834 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.122 2.660 -8.059 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.461 4.733 -7.783 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.999 5.682 -7.599 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.046 5.990 -9.810 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.414 5.365 -9.933 1.00 10.00 H new ATOM 141 N GLU A 11 -10.453 4.563 -7.723 1.00 10.00 N ATOM 142 CA GLU A 11 -9.045 4.675 -8.070 1.00 10.00 C ATOM 143 C GLU A 11 -8.223 3.613 -7.372 1.00 10.00 C ATOM 144 O GLU A 11 -7.337 3.015 -7.971 1.00 10.00 O ATOM 145 CB GLU A 11 -8.501 6.047 -7.668 1.00 10.00 C ATOM 146 CG GLU A 11 -9.108 7.199 -8.482 1.00 10.00 C ATOM 147 CD GLU A 11 -8.884 7.064 -9.983 1.00 10.00 C ATOM 148 OE1 GLU A 11 -9.646 6.290 -10.608 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.958 7.731 -10.485 1.00 10.00 O ATOM 0 H GLU A 11 -10.789 5.306 -7.111 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.967 4.542 -9.149 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.700 6.214 -6.609 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.418 6.053 -7.793 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.179 7.248 -8.285 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.678 8.141 -8.141 1.00 10.00 H new ATOM 156 N ILE A 12 -8.446 3.416 -6.080 1.00 10.00 N ATOM 157 CA ILE A 12 -7.510 2.629 -5.314 1.00 10.00 C ATOM 158 C ILE A 12 -7.482 1.193 -5.838 1.00 10.00 C ATOM 159 O ILE A 12 -6.403 0.631 -6.011 1.00 10.00 O ATOM 160 CB ILE A 12 -7.838 2.737 -3.816 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.589 4.167 -3.307 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.038 1.758 -2.958 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.492 4.489 -2.122 1.00 10.00 C ATOM 0 H ILE A 12 -9.244 3.781 -5.559 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.499 3.017 -5.435 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.893 2.480 -3.720 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.545 4.276 -3.014 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.770 4.880 -4.111 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.314 1.883 -1.911 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.256 0.737 -3.272 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.973 1.955 -3.079 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.296 5.506 -1.781 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.535 4.403 -2.426 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.291 3.789 -1.311 1.00 10.00 H new ATOM 175 N GLN A 13 -8.651 0.626 -6.151 1.00 10.00 N ATOM 176 CA GLN A 13 -8.733 -0.697 -6.753 1.00 10.00 C ATOM 177 C GLN A 13 -7.988 -0.710 -8.086 1.00 10.00 C ATOM 178 O GLN A 13 -7.232 -1.626 -8.398 1.00 10.00 O ATOM 179 CB GLN A 13 -10.196 -1.075 -7.003 1.00 10.00 C ATOM 180 CG GLN A 13 -10.932 -1.430 -5.705 1.00 10.00 C ATOM 181 CD GLN A 13 -12.376 -1.852 -5.960 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.683 -2.178 -7.128 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.148 -1.852 -4.979 1.00 10.00 N ATOM 0 H GLN A 13 -9.556 1.070 -5.994 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.281 -1.415 -6.069 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.706 -0.245 -7.492 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.239 -1.923 -7.687 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.403 -2.237 -5.198 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -10.919 -0.570 -5.035 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -12.806 -1.569 -4.061 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.121 -2.135 -5.096 1.00 10.00 H new ATOM 190 N LYS A 14 -8.248 0.319 -8.890 1.00 10.00 N ATOM 191 CA LYS A 14 -7.699 0.495 -10.220 1.00 10.00 C ATOM 192 C LYS A 14 -6.161 0.529 -10.188 1.00 10.00 C ATOM 193 O LYS A 14 -5.498 -0.108 -11.008 1.00 10.00 O ATOM 194 CB LYS A 14 -8.363 1.759 -10.793 1.00 10.00 C ATOM 195 CG LYS A 14 -7.700 2.379 -12.023 1.00 10.00 C ATOM 196 CD LYS A 14 -8.352 3.700 -12.463 1.00 10.00 C ATOM 197 CE LYS A 14 -9.878 3.633 -12.627 1.00 10.00 C ATOM 198 NZ LYS A 14 -10.596 3.950 -11.377 1.00 10.00 N ATOM 0 H LYS A 14 -8.871 1.078 -8.616 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.919 -0.345 -10.878 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.395 1.517 -11.047 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -8.397 2.513 -10.007 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -6.646 2.555 -11.809 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.743 1.668 -12.848 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -8.111 4.471 -11.731 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -7.911 4.011 -13.410 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.187 4.330 -13.406 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.161 2.635 -12.961 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -11.603 4.108 -11.585 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -10.500 3.157 -10.711 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.192 4.809 -10.953 1.00 10.00 H new ATOM 212 N HIS A 15 -5.578 1.279 -9.252 1.00 10.00 N ATOM 213 CA HIS A 15 -4.135 1.436 -9.114 1.00 10.00 C ATOM 214 C HIS A 15 -3.513 0.175 -8.505 1.00 10.00 C ATOM 215 O HIS A 15 -3.148 0.142 -7.329 1.00 10.00 O ATOM 216 CB HIS A 15 -3.831 2.682 -8.278 1.00 10.00 C ATOM 217 CG HIS A 15 -3.982 3.978 -9.037 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.995 4.918 -9.226 1.00 10.00 N ATOM 219 CD2 HIS A 15 -5.087 4.410 -9.720 1.00 10.00 C ATOM 220 CE1 HIS A 15 -3.491 5.881 -10.018 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.761 5.611 -10.352 1.00 10.00 N ATOM 0 H HIS A 15 -6.109 1.803 -8.556 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.688 1.571 -10.099 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.495 2.699 -7.414 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.812 2.612 -7.896 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -6.043 3.909 -9.762 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.943 6.753 -10.342 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -5.368 6.172 -10.949 1.00 10.00 H new ATOM 229 N ASN A 16 -3.397 -0.868 -9.329 1.00 10.00 N ATOM 230 CA ASN A 16 -3.075 -2.211 -8.857 1.00 10.00 C ATOM 231 C ASN A 16 -2.320 -3.077 -9.877 1.00 10.00 C ATOM 232 O ASN A 16 -2.306 -4.299 -9.732 1.00 10.00 O ATOM 233 CB ASN A 16 -4.400 -2.871 -8.438 1.00 10.00 C ATOM 234 CG ASN A 16 -4.205 -4.202 -7.737 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.512 -5.279 -8.249 1.00 10.00 O ATOM 236 ND2 ASN A 16 -3.650 -4.122 -6.545 1.00 10.00 N ATOM 0 H ASN A 16 -3.524 -0.803 -10.339 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.383 -2.126 -8.019 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -4.943 -2.195 -7.777 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -5.021 -3.020 -9.322 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.460 -4.971 -6.013 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.410 -3.211 -6.154 1.00 10.00 H new ATOM 290 N SER A 20 0.740 1.734 -11.111 1.00 10.00 N ATOM 291 CA SER A 20 0.731 2.222 -9.761 1.00 10.00 C ATOM 292 C SER A 20 0.233 1.026 -8.960 1.00 10.00 C ATOM 293 O SER A 20 -0.462 0.162 -9.508 1.00 10.00 O ATOM 294 CB SER A 20 -0.212 3.414 -9.617 1.00 10.00 C ATOM 295 OG SER A 20 0.058 4.405 -10.591 1.00 10.00 O ATOM 0 HA SER A 20 1.705 2.580 -9.428 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.244 3.077 -9.714 1.00 10.00 H new ATOM 0 HB3 SER A 20 -0.109 3.843 -8.620 1.00 10.00 H new ATOM 0 HG SER A 20 0.236 3.976 -11.454 1.00 10.00 H new ATOM 301 N THR A 21 0.630 0.927 -7.705 1.00 10.00 N ATOM 302 CA THR A 21 0.149 -0.086 -6.790 1.00 10.00 C ATOM 303 C THR A 21 -0.116 0.594 -5.444 1.00 10.00 C ATOM 304 O THR A 21 0.820 1.019 -4.763 1.00 10.00 O ATOM 305 CB THR A 21 1.162 -1.231 -6.785 1.00 10.00 C ATOM 306 OG1 THR A 21 1.250 -1.731 -8.108 1.00 10.00 O ATOM 307 CG2 THR A 21 0.746 -2.378 -5.864 1.00 10.00 C ATOM 0 H THR A 21 1.310 1.562 -7.287 1.00 10.00 H new ATOM 0 HA THR A 21 -0.798 -0.541 -7.078 1.00 10.00 H new ATOM 0 HB THR A 21 2.114 -0.845 -6.420 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.626 -2.636 -8.091 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.500 -3.164 -5.898 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.653 -2.009 -4.843 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.212 -2.780 -6.193 1.00 10.00 H new ATOM 315 N TRP A 22 -1.410 0.758 -5.144 1.00 10.00 N ATOM 316 CA TRP A 22 -1.976 1.547 -4.054 1.00 10.00 C ATOM 317 C TRP A 22 -2.486 0.591 -2.983 1.00 10.00 C ATOM 318 O TRP A 22 -2.915 -0.502 -3.325 1.00 10.00 O ATOM 319 CB TRP A 22 -3.115 2.413 -4.625 1.00 10.00 C ATOM 320 CG TRP A 22 -2.665 3.696 -5.271 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.405 3.968 -5.670 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.440 4.874 -5.652 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.351 5.186 -6.301 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.588 5.784 -6.348 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.772 5.279 -5.463 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.059 6.984 -6.899 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.272 6.444 -6.062 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.433 7.259 -6.838 1.00 10.00 C ATOM 0 H TRP A 22 -2.138 0.308 -5.700 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.232 2.204 -3.605 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.666 1.826 -5.359 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.810 2.651 -3.820 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.557 3.318 -5.515 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.500 5.596 -6.686 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.424 4.681 -4.844 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.377 7.683 -7.361 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.308 6.716 -5.926 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.844 8.094 -7.386 1.00 10.00 H new ATOM 339 N LEU A 23 -2.449 0.949 -1.700 1.00 10.00 N ATOM 340 CA LEU A 23 -3.067 0.146 -0.645 1.00 10.00 C ATOM 341 C LEU A 23 -3.584 1.075 0.445 1.00 10.00 C ATOM 342 O LEU A 23 -3.109 2.208 0.542 1.00 10.00 O ATOM 343 CB LEU A 23 -2.127 -0.924 -0.046 1.00 10.00 C ATOM 344 CG LEU A 23 -0.751 -1.144 -0.693 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.268 -0.321 0.075 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.310 -2.606 -0.605 1.00 10.00 C ATOM 0 H LEU A 23 -1.993 1.797 -1.364 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.888 -0.408 -1.099 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.963 -0.670 1.001 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.657 -1.876 -0.064 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.819 -0.856 -1.742 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.255 -0.460 -0.366 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.005 0.733 0.027 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.287 -0.644 1.116 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.667 -2.720 -1.074 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.248 -2.905 0.441 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -1.035 -3.236 -1.120 1.00 10.00 H new ATOM 358 N ILE A 24 -4.539 0.596 1.252 1.00 10.00 N ATOM 359 CA ILE A 24 -5.080 1.338 2.384 1.00 10.00 C ATOM 360 C ILE A 24 -4.541 0.733 3.680 1.00 10.00 C ATOM 361 O ILE A 24 -4.782 -0.442 3.981 1.00 10.00 O ATOM 362 CB ILE A 24 -6.624 1.374 2.370 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.271 1.597 0.992 1.00 10.00 C ATOM 364 CG2 ILE A 24 -7.116 2.443 3.348 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.722 1.109 0.965 1.00 10.00 C ATOM 0 H ILE A 24 -4.958 -0.326 1.131 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.755 2.376 2.311 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.938 0.375 2.671 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.238 2.657 0.741 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.696 1.072 0.230 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.206 2.470 3.340 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.767 2.205 4.353 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.727 3.416 3.049 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.146 1.283 -0.024 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.752 0.043 1.190 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.303 1.653 1.710 1.00 10.00 H new ATOM 377 N LEU A 25 -3.794 1.552 4.426 1.00 10.00 N ATOM 378 CA LEU A 25 -3.197 1.226 5.715 1.00 10.00 C ATOM 379 C LEU A 25 -3.708 2.275 6.705 1.00 10.00 C ATOM 380 O LEU A 25 -3.148 3.366 6.806 1.00 10.00 O ATOM 381 CB LEU A 25 -1.664 1.213 5.620 1.00 10.00 C ATOM 382 CG LEU A 25 -1.028 -0.145 5.276 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.441 -0.665 3.900 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.499 -0.020 5.298 1.00 10.00 C ATOM 0 H LEU A 25 -3.582 2.505 4.129 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.479 0.227 6.047 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.359 1.938 4.865 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.257 1.554 6.572 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.382 -0.852 6.026 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.960 -1.626 3.715 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.523 -0.789 3.868 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.134 0.048 3.135 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.946 -0.983 5.054 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.814 0.722 4.565 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.824 0.290 6.291 1.00 10.00 H new ATOM 396 N HIS A 26 -4.785 1.963 7.426 1.00 10.00 N ATOM 397 CA HIS A 26 -5.401 2.858 8.405 1.00 10.00 C ATOM 398 C HIS A 26 -6.095 4.033 7.700 1.00 10.00 C ATOM 399 O HIS A 26 -5.887 5.192 8.053 1.00 10.00 O ATOM 400 CB HIS A 26 -4.385 3.337 9.469 1.00 10.00 C ATOM 401 CG HIS A 26 -3.347 2.322 9.889 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.524 1.282 10.775 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.046 2.279 9.457 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.356 0.621 10.858 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.428 1.189 10.070 1.00 10.00 N ATOM 0 H HIS A 26 -5.262 1.065 7.344 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.164 2.294 8.942 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.870 4.217 9.083 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.936 3.653 10.355 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.582 2.967 8.765 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.187 -0.249 11.475 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.463 0.884 9.945 1.00 10.00 H new ATOM 413 N TYR A 27 -6.898 3.738 6.673 1.00 10.00 N ATOM 414 CA TYR A 27 -7.646 4.693 5.849 1.00 10.00 C ATOM 415 C TYR A 27 -6.813 5.726 5.069 1.00 10.00 C ATOM 416 O TYR A 27 -7.291 6.236 4.056 1.00 10.00 O ATOM 417 CB TYR A 27 -8.845 5.306 6.593 1.00 10.00 C ATOM 418 CG TYR A 27 -10.048 4.380 6.715 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.663 3.898 5.545 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.620 4.079 7.968 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.810 3.094 5.622 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.809 3.324 8.037 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.411 2.839 6.861 1.00 10.00 C ATOM 424 OH TYR A 27 -13.613 2.197 6.917 1.00 10.00 O ATOM 0 H TYR A 27 -7.052 2.774 6.378 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.050 4.072 5.049 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.525 5.600 7.593 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.152 6.215 6.076 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.249 4.149 4.580 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.148 4.427 8.875 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.231 2.670 4.722 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.260 3.117 8.996 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.888 2.099 7.852 1.00 10.00 H new ATOM 434 N LYS A 28 -5.572 6.023 5.460 1.00 10.00 N ATOM 435 CA LYS A 28 -4.630 6.659 4.543 1.00 10.00 C ATOM 436 C LYS A 28 -4.360 5.715 3.357 1.00 10.00 C ATOM 437 O LYS A 28 -4.533 4.499 3.485 1.00 10.00 O ATOM 438 CB LYS A 28 -3.348 7.074 5.285 1.00 10.00 C ATOM 439 CG LYS A 28 -3.272 8.575 5.593 1.00 10.00 C ATOM 440 CD LYS A 28 -4.453 9.111 6.415 1.00 10.00 C ATOM 441 CE LYS A 28 -4.234 10.566 6.870 1.00 10.00 C ATOM 442 NZ LYS A 28 -3.672 11.451 5.822 1.00 10.00 N ATOM 0 H LYS A 28 -5.202 5.836 6.392 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.059 7.577 4.142 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.283 6.517 6.219 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.483 6.791 4.684 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.347 8.777 6.133 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.219 9.125 4.653 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -5.364 9.052 5.820 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.602 8.477 7.289 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.186 10.977 7.205 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.565 10.569 7.730 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.491 12.393 6.224 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.781 11.048 5.469 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.350 11.534 5.037 1.00 10.00 H new ATOM 456 N VAL A 29 -3.934 6.274 2.217 1.00 10.00 N ATOM 457 CA VAL A 29 -3.628 5.553 0.987 1.00 10.00 C ATOM 458 C VAL A 29 -2.140 5.695 0.669 1.00 10.00 C ATOM 459 O VAL A 29 -1.559 6.778 0.795 1.00 10.00 O ATOM 460 CB VAL A 29 -4.502 6.056 -0.170 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.008 5.629 -1.552 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.919 5.519 -0.037 1.00 10.00 C ATOM 0 H VAL A 29 -3.789 7.280 2.129 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.853 4.495 1.124 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.458 7.143 -0.099 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.678 6.023 -2.316 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -3.003 6.018 -1.715 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.990 4.541 -1.612 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.526 5.885 -0.865 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.898 4.429 -0.056 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.349 5.857 0.906 1.00 10.00 H new ATOM 472 N TYR A 30 -1.545 4.570 0.273 1.00 10.00 N ATOM 473 CA TYR A 30 -0.118 4.325 0.241 1.00 10.00 C ATOM 474 C TYR A 30 0.205 3.832 -1.163 1.00 10.00 C ATOM 475 O TYR A 30 -0.292 2.772 -1.534 1.00 10.00 O ATOM 476 CB TYR A 30 0.156 3.245 1.302 1.00 10.00 C ATOM 477 CG TYR A 30 -0.040 3.737 2.721 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.347 3.908 3.201 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.047 4.030 3.563 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.564 4.401 4.490 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.817 4.436 4.894 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.492 4.580 5.369 1.00 10.00 C ATOM 483 OH TYR A 30 -0.744 4.753 6.697 1.00 10.00 O ATOM 0 H TYR A 30 -2.083 3.766 -0.050 1.00 10.00 H new ATOM 0 HA TYR A 30 0.492 5.202 0.456 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.504 2.396 1.125 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.178 2.884 1.188 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.188 3.658 2.572 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.057 3.944 3.191 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.566 4.645 4.809 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.653 4.636 5.548 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.591 4.318 6.929 1.00 10.00 H new ATOM 493 N ASP A 31 0.992 4.586 -1.938 1.00 10.00 N ATOM 494 CA ASP A 31 1.487 4.142 -3.236 1.00 10.00 C ATOM 495 C ASP A 31 2.884 3.623 -2.979 1.00 10.00 C ATOM 496 O ASP A 31 3.604 4.213 -2.174 1.00 10.00 O ATOM 497 CB ASP A 31 1.559 5.279 -4.263 1.00 10.00 C ATOM 498 CG ASP A 31 1.791 4.787 -5.694 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.445 3.735 -5.872 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.262 5.456 -6.609 1.00 10.00 O ATOM 0 H ASP A 31 1.302 5.522 -1.678 1.00 10.00 H new ATOM 0 HA ASP A 31 0.814 3.393 -3.652 1.00 10.00 H new ATOM 0 HB2 ASP A 31 0.631 5.850 -4.228 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.363 5.960 -3.985 1.00 10.00 H new ATOM 505 N LEU A 32 3.263 2.538 -3.643 1.00 10.00 N ATOM 506 CA LEU A 32 4.637 2.078 -3.591 1.00 10.00 C ATOM 507 C LEU A 32 5.159 1.952 -5.019 1.00 10.00 C ATOM 508 O LEU A 32 5.912 2.812 -5.476 1.00 10.00 O ATOM 509 CB LEU A 32 4.793 0.799 -2.748 1.00 10.00 C ATOM 510 CG LEU A 32 3.701 0.487 -1.708 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.100 -0.834 -1.046 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.569 1.539 -0.606 1.00 10.00 C ATOM 0 H LEU A 32 2.642 1.968 -4.217 1.00 10.00 H new ATOM 0 HA LEU A 32 5.256 2.809 -3.070 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.856 -0.047 -3.432 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.747 0.857 -2.225 1.00 10.00 H new ATOM 0 HG LEU A 32 2.743 0.457 -2.226 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.357 -1.104 -0.296 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.155 -1.618 -1.802 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.073 -0.722 -0.568 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.779 1.245 0.085 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.512 1.620 -0.066 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.322 2.503 -1.051 1.00 10.00 H new ATOM 524 N THR A 33 4.765 0.881 -5.715 1.00 10.00 N ATOM 525 CA THR A 33 5.076 0.590 -7.114 1.00 10.00 C ATOM 526 C THR A 33 6.565 0.296 -7.367 1.00 10.00 C ATOM 527 O THR A 33 6.899 -0.730 -7.944 1.00 10.00 O ATOM 528 CB THR A 33 4.517 1.701 -8.015 1.00 10.00 C ATOM 529 OG1 THR A 33 3.181 1.960 -7.638 1.00 10.00 O ATOM 530 CG2 THR A 33 4.514 1.271 -9.486 1.00 10.00 C ATOM 0 H THR A 33 4.188 0.154 -5.291 1.00 10.00 H new ATOM 0 HA THR A 33 4.577 -0.343 -7.376 1.00 10.00 H new ATOM 0 HB THR A 33 5.146 2.584 -7.901 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.170 2.480 -6.807 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.113 2.077 -10.100 1.00 10.00 H new ATOM 0 HG22 THR A 33 5.533 1.047 -9.802 1.00 10.00 H new ATOM 0 HG23 THR A 33 3.894 0.382 -9.604 1.00 10.00 H new ATOM 538 N LYS A 34 7.471 1.173 -6.938 1.00 10.00 N ATOM 539 CA LYS A 34 8.911 0.968 -7.011 1.00 10.00 C ATOM 540 C LYS A 34 9.337 -0.028 -5.928 1.00 10.00 C ATOM 541 O LYS A 34 10.124 -0.939 -6.162 1.00 10.00 O ATOM 542 CB LYS A 34 9.622 2.313 -6.800 1.00 10.00 C ATOM 543 CG LYS A 34 9.102 3.411 -7.739 1.00 10.00 C ATOM 544 CD LYS A 34 9.833 4.731 -7.454 1.00 10.00 C ATOM 545 CE LYS A 34 9.187 5.925 -8.174 1.00 10.00 C ATOM 546 NZ LYS A 34 7.846 6.254 -7.638 1.00 10.00 N ATOM 0 H LYS A 34 7.214 2.067 -6.520 1.00 10.00 H new ATOM 0 HA LYS A 34 9.182 0.568 -7.988 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.489 2.632 -5.766 1.00 10.00 H new ATOM 0 HB3 LYS A 34 10.693 2.182 -6.958 1.00 10.00 H new ATOM 0 HG2 LYS A 34 9.256 3.117 -8.777 1.00 10.00 H new ATOM 0 HG3 LYS A 34 8.029 3.542 -7.600 1.00 10.00 H new ATOM 0 HD2 LYS A 34 9.837 4.917 -6.380 1.00 10.00 H new ATOM 0 HD3 LYS A 34 10.874 4.642 -7.766 1.00 10.00 H new ATOM 0 HE2 LYS A 34 9.836 6.796 -8.080 1.00 10.00 H new ATOM 0 HE3 LYS A 34 9.105 5.702 -9.238 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 7.526 7.161 -8.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 7.174 5.505 -7.900 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 7.895 6.328 -6.602 1.00 10.00 H new ATOM 560 N PHE A 35 8.784 0.146 -4.723 1.00 10.00 N ATOM 561 CA PHE A 35 9.187 -0.590 -3.527 1.00 10.00 C ATOM 562 C PHE A 35 8.938 -2.079 -3.712 1.00 10.00 C ATOM 563 O PHE A 35 9.610 -2.902 -3.111 1.00 10.00 O ATOM 564 CB PHE A 35 8.382 -0.098 -2.321 1.00 10.00 C ATOM 565 CG PHE A 35 8.889 -0.606 -0.993 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.193 -0.294 -0.566 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.097 -1.490 -0.238 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.722 -0.914 0.579 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.630 -2.108 0.899 1.00 10.00 C ATOM 570 CZ PHE A 35 9.953 -1.847 1.292 1.00 10.00 C ATOM 0 H PHE A 35 8.032 0.814 -4.552 1.00 10.00 H new ATOM 0 HA PHE A 35 10.251 -0.420 -3.359 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.394 0.992 -2.310 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.343 -0.404 -2.442 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.786 0.421 -1.117 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.079 -1.692 -0.535 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.721 -0.672 0.911 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.022 -2.788 1.477 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.377 -2.363 2.141 1.00 10.00 H new ATOM 580 N LEU A 36 7.973 -2.408 -4.566 1.00 10.00 N ATOM 581 CA LEU A 36 7.670 -3.739 -5.045 1.00 10.00 C ATOM 582 C LEU A 36 8.947 -4.515 -5.396 1.00 10.00 C ATOM 583 O LEU A 36 9.051 -5.704 -5.107 1.00 10.00 O ATOM 584 CB LEU A 36 6.773 -3.537 -6.269 1.00 10.00 C ATOM 585 CG LEU A 36 5.422 -2.865 -5.979 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.562 -3.030 -7.234 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.682 -3.469 -4.779 1.00 10.00 C ATOM 0 H LEU A 36 7.348 -1.705 -4.961 1.00 10.00 H new ATOM 0 HA LEU A 36 7.172 -4.337 -4.282 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.312 -2.935 -7.000 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.588 -4.507 -6.729 1.00 10.00 H new ATOM 0 HG LEU A 36 5.606 -1.821 -5.727 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.589 -2.566 -7.072 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.056 -2.552 -8.079 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.427 -4.091 -7.446 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.737 -2.946 -4.633 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.487 -4.525 -4.966 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.295 -3.366 -3.884 1.00 10.00 H new ATOM 599 N GLU A 37 9.920 -3.819 -5.992 1.00 10.00 N ATOM 600 CA GLU A 37 11.237 -4.345 -6.322 1.00 10.00 C ATOM 601 C GLU A 37 12.018 -4.750 -5.061 1.00 10.00 C ATOM 602 O GLU A 37 12.635 -5.811 -5.008 1.00 10.00 O ATOM 603 CB GLU A 37 11.982 -3.247 -7.096 1.00 10.00 C ATOM 604 CG GLU A 37 13.172 -3.795 -7.888 1.00 10.00 C ATOM 605 CD GLU A 37 13.881 -2.715 -8.701 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.710 -1.524 -8.358 1.00 10.00 O ATOM 607 OE2 GLU A 37 14.586 -3.103 -9.658 1.00 10.00 O ATOM 0 H GLU A 37 9.803 -2.843 -6.265 1.00 10.00 H new ATOM 0 HA GLU A 37 11.139 -5.248 -6.925 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.290 -2.755 -7.779 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.333 -2.488 -6.397 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.883 -4.252 -7.200 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.827 -4.582 -8.559 1.00 10.00 H new ATOM 614 N GLU A 38 12.016 -3.858 -4.069 1.00 10.00 N ATOM 615 CA GLU A 38 12.808 -3.939 -2.845 1.00 10.00 C ATOM 616 C GLU A 38 12.223 -4.992 -1.897 1.00 10.00 C ATOM 617 O GLU A 38 12.920 -5.889 -1.427 1.00 10.00 O ATOM 618 CB GLU A 38 12.813 -2.535 -2.207 1.00 10.00 C ATOM 619 CG GLU A 38 13.941 -2.287 -1.194 1.00 10.00 C ATOM 620 CD GLU A 38 13.829 -3.095 0.097 1.00 10.00 C ATOM 621 OE1 GLU A 38 12.686 -3.256 0.577 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.896 -3.501 0.602 1.00 10.00 O ATOM 0 H GLU A 38 11.434 -3.021 -4.101 1.00 10.00 H new ATOM 0 HA GLU A 38 13.831 -4.249 -3.060 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.888 -1.792 -3.001 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.856 -2.375 -1.710 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.895 -2.517 -1.669 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.958 -1.227 -0.942 1.00 10.00 H new ATOM 629 N HIS A 39 10.928 -4.833 -1.619 1.00 10.00 N ATOM 630 CA HIS A 39 10.167 -5.463 -0.558 1.00 10.00 C ATOM 631 C HIS A 39 10.552 -6.932 -0.344 1.00 10.00 C ATOM 632 O HIS A 39 10.299 -7.747 -1.228 1.00 10.00 O ATOM 633 CB HIS A 39 8.677 -5.340 -0.916 1.00 10.00 C ATOM 634 CG HIS A 39 7.754 -5.884 0.143 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.654 -6.684 -0.068 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.782 -5.563 1.472 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.019 -6.803 1.113 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.666 -6.133 2.087 1.00 10.00 N ATOM 0 H HIS A 39 10.346 -4.210 -2.178 1.00 10.00 H new ATOM 0 HA HIS A 39 10.387 -4.958 0.382 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.439 -4.290 -1.089 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.492 -5.867 -1.852 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.373 -7.107 -0.953 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.539 -4.969 1.963 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.108 -7.364 1.261 1.00 10.00 H new ATOM 646 N PRO A 40 11.071 -7.316 0.837 1.00 10.00 N ATOM 647 CA PRO A 40 11.310 -8.709 1.194 1.00 10.00 C ATOM 648 C PRO A 40 10.087 -9.610 0.976 1.00 10.00 C ATOM 649 O PRO A 40 10.228 -10.751 0.543 1.00 10.00 O ATOM 650 CB PRO A 40 11.749 -8.684 2.662 1.00 10.00 C ATOM 651 CG PRO A 40 12.434 -7.323 2.776 1.00 10.00 C ATOM 652 CD PRO A 40 11.567 -6.437 1.883 1.00 10.00 C ATOM 0 HA PRO A 40 12.073 -9.144 0.548 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.901 -8.770 3.341 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.430 -9.502 2.897 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.454 -6.965 3.805 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.467 -7.359 2.430 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.746 -5.994 2.447 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.146 -5.614 1.464 1.00 10.00 H new ATOM 660 N GLY A 41 8.880 -9.103 1.254 1.00 10.00 N ATOM 661 CA GLY A 41 7.642 -9.832 0.999 1.00 10.00 C ATOM 662 C GLY A 41 7.362 -10.060 -0.493 1.00 10.00 C ATOM 663 O GLY A 41 6.482 -10.847 -0.831 1.00 10.00 O ATOM 0 H GLY A 41 8.739 -8.178 1.661 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.687 -10.797 1.504 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.809 -9.282 1.437 1.00 10.00 H new ATOM 667 N GLY A 42 8.070 -9.364 -1.389 1.00 10.00 N ATOM 668 CA GLY A 42 7.874 -9.441 -2.828 1.00 10.00 C ATOM 669 C GLY A 42 6.661 -8.635 -3.273 1.00 10.00 C ATOM 670 O GLY A 42 5.939 -8.063 -2.451 1.00 10.00 O ATOM 0 H GLY A 42 8.812 -8.718 -1.120 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.764 -9.071 -3.337 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.748 -10.483 -3.123 1.00 10.00 H new ATOM 674 N GLU A 43 6.466 -8.575 -4.595 1.00 10.00 N ATOM 675 CA GLU A 43 5.364 -7.854 -5.202 1.00 10.00 C ATOM 676 C GLU A 43 4.084 -8.680 -5.122 1.00 10.00 C ATOM 677 O GLU A 43 3.171 -8.272 -4.421 1.00 10.00 O ATOM 678 CB GLU A 43 5.727 -7.395 -6.622 1.00 10.00 C ATOM 679 CG GLU A 43 4.501 -6.850 -7.367 1.00 10.00 C ATOM 680 CD GLU A 43 4.828 -6.250 -8.729 1.00 10.00 C ATOM 681 OE1 GLU A 43 6.033 -6.117 -9.027 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.850 -5.921 -9.435 1.00 10.00 O ATOM 0 H GLU A 43 7.078 -9.032 -5.271 1.00 10.00 H new ATOM 0 HA GLU A 43 5.170 -6.940 -4.641 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.496 -6.624 -6.571 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.151 -8.231 -7.179 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.779 -7.656 -7.499 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.021 -6.090 -6.751 1.00 10.00 H new ATOM 689 N GLU A 44 3.993 -9.812 -5.830 1.00 10.00 N ATOM 690 CA GLU A 44 2.761 -10.576 -6.051 1.00 10.00 C ATOM 691 C GLU A 44 1.750 -10.477 -4.894 1.00 10.00 C ATOM 692 O GLU A 44 0.692 -9.861 -5.034 1.00 10.00 O ATOM 693 CB GLU A 44 3.111 -12.039 -6.356 1.00 10.00 C ATOM 694 CG GLU A 44 3.993 -12.186 -7.601 1.00 10.00 C ATOM 695 CD GLU A 44 4.192 -13.659 -7.931 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.907 -14.315 -7.146 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.603 -14.101 -8.941 1.00 10.00 O ATOM 0 H GLU A 44 4.804 -10.236 -6.280 1.00 10.00 H new ATOM 0 HA GLU A 44 2.259 -10.128 -6.909 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.625 -12.472 -5.498 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.191 -12.607 -6.497 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.531 -11.675 -8.446 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.959 -11.710 -7.430 1.00 10.00 H new ATOM 704 N VAL A 45 2.101 -11.050 -3.740 1.00 10.00 N ATOM 705 CA VAL A 45 1.296 -11.038 -2.522 1.00 10.00 C ATOM 706 C VAL A 45 0.838 -9.614 -2.163 1.00 10.00 C ATOM 707 O VAL A 45 -0.338 -9.365 -1.897 1.00 10.00 O ATOM 708 CB VAL A 45 2.097 -11.741 -1.403 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.417 -11.038 -1.052 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.282 -11.947 -0.120 1.00 10.00 C ATOM 0 H VAL A 45 2.982 -11.551 -3.627 1.00 10.00 H new ATOM 0 HA VAL A 45 0.370 -11.593 -2.670 1.00 10.00 H new ATOM 0 HB VAL A 45 2.335 -12.715 -1.830 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.923 -11.589 -0.259 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.056 -11.002 -1.934 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.210 -10.023 -0.713 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.900 -12.445 0.627 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.957 -10.980 0.264 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.409 -12.563 -0.338 1.00 10.00 H new ATOM 720 N LEU A 46 1.764 -8.658 -2.189 1.00 10.00 N ATOM 721 CA LEU A 46 1.510 -7.258 -1.893 1.00 10.00 C ATOM 722 C LEU A 46 0.605 -6.632 -2.954 1.00 10.00 C ATOM 723 O LEU A 46 -0.276 -5.838 -2.636 1.00 10.00 O ATOM 724 CB LEU A 46 2.863 -6.537 -1.780 1.00 10.00 C ATOM 725 CG LEU A 46 2.769 -5.062 -1.375 1.00 10.00 C ATOM 726 CD1 LEU A 46 1.973 -4.921 -0.083 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.184 -4.544 -1.115 1.00 10.00 C ATOM 0 H LEU A 46 2.739 -8.846 -2.424 1.00 10.00 H new ATOM 0 HA LEU A 46 0.978 -7.161 -0.946 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.479 -7.062 -1.050 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.377 -6.605 -2.739 1.00 10.00 H new ATOM 0 HG LEU A 46 2.279 -4.501 -2.171 1.00 10.00 H new ATOM 0 HD11 LEU A 46 1.913 -3.869 0.194 1.00 10.00 H new ATOM 0 HD12 LEU A 46 0.967 -5.315 -0.230 1.00 10.00 H new ATOM 0 HD13 LEU A 46 2.468 -5.478 0.712 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.140 -3.494 -0.825 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.642 -5.123 -0.313 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.781 -4.645 -2.022 1.00 10.00 H new ATOM 739 N ARG A 47 0.795 -7.011 -4.215 1.00 10.00 N ATOM 740 CA ARG A 47 0.067 -6.464 -5.348 1.00 10.00 C ATOM 741 C ARG A 47 -1.370 -6.962 -5.266 1.00 10.00 C ATOM 742 O ARG A 47 -2.308 -6.290 -5.673 1.00 10.00 O ATOM 743 CB ARG A 47 0.768 -6.884 -6.649 1.00 10.00 C ATOM 744 CG ARG A 47 0.425 -6.011 -7.867 1.00 10.00 C ATOM 745 CD ARG A 47 -0.373 -6.738 -8.960 1.00 10.00 C ATOM 746 NE ARG A 47 -1.811 -6.821 -8.649 1.00 10.00 N ATOM 747 CZ ARG A 47 -2.466 -7.901 -8.185 1.00 10.00 C ATOM 748 NH1 ARG A 47 -1.827 -9.039 -7.912 1.00 10.00 N ATOM 749 NH2 ARG A 47 -3.780 -7.868 -7.973 1.00 10.00 N ATOM 0 H ARG A 47 1.476 -7.723 -4.480 1.00 10.00 H new ATOM 0 HA ARG A 47 0.052 -5.374 -5.333 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.846 -6.858 -6.491 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.504 -7.918 -6.872 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.147 -5.146 -7.530 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.351 -5.632 -8.300 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.239 -6.219 -9.909 1.00 10.00 H new ATOM 0 HD3 ARG A 47 0.026 -7.744 -9.088 1.00 10.00 H new ATOM 0 HE ARG A 47 -2.364 -5.977 -8.800 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -0.819 -9.105 -8.054 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -2.346 -9.844 -7.561 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -4.306 -7.015 -8.163 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -4.261 -8.696 -7.621 1.00 10.00 H new ATOM 763 N GLU A 48 -1.548 -8.158 -4.721 1.00 10.00 N ATOM 764 CA GLU A 48 -2.847 -8.762 -4.545 1.00 10.00 C ATOM 765 C GLU A 48 -3.593 -8.172 -3.338 1.00 10.00 C ATOM 766 O GLU A 48 -4.812 -8.036 -3.377 1.00 10.00 O ATOM 767 CB GLU A 48 -2.595 -10.265 -4.465 1.00 10.00 C ATOM 768 CG GLU A 48 -3.871 -11.100 -4.652 1.00 10.00 C ATOM 769 CD GLU A 48 -4.444 -11.045 -6.072 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.889 -10.296 -6.915 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.435 -11.764 -6.304 1.00 10.00 O ATOM 0 H GLU A 48 -0.779 -8.738 -4.386 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.520 -8.550 -5.376 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.868 -10.547 -5.227 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -2.151 -10.502 -3.498 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.655 -12.138 -4.397 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.629 -10.750 -3.951 1.00 10.00 H new ATOM 778 N GLN A 49 -2.881 -7.789 -2.272 1.00 10.00 N ATOM 779 CA GLN A 49 -3.470 -7.011 -1.181 1.00 10.00 C ATOM 780 C GLN A 49 -3.714 -5.560 -1.591 1.00 10.00 C ATOM 781 O GLN A 49 -4.570 -4.880 -1.028 1.00 10.00 O ATOM 782 CB GLN A 49 -2.546 -7.055 0.038 1.00 10.00 C ATOM 783 CG GLN A 49 -2.454 -8.458 0.644 1.00 10.00 C ATOM 784 CD GLN A 49 -3.793 -9.005 1.135 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.134 -8.874 2.307 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.551 -9.657 0.258 1.00 10.00 N ATOM 0 H GLN A 49 -1.893 -8.007 -2.143 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.434 -7.455 -0.934 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.550 -6.720 -0.251 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.910 -6.358 0.793 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.045 -9.140 -0.101 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.752 -8.439 1.478 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.244 -9.752 -0.710 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.439 -10.062 0.554 1.00 10.00 H new ATOM 795 N ALA A 50 -2.922 -5.081 -2.545 1.00 10.00 N ATOM 796 CA ALA A 50 -3.074 -3.741 -3.094 1.00 10.00 C ATOM 797 C ALA A 50 -4.457 -3.574 -3.721 1.00 10.00 C ATOM 798 O ALA A 50 -5.132 -4.543 -4.061 1.00 10.00 O ATOM 799 CB ALA A 50 -1.941 -3.391 -4.062 1.00 10.00 C ATOM 0 H ALA A 50 -2.156 -5.613 -2.959 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.999 -3.025 -2.275 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.092 -2.383 -4.449 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.987 -3.439 -3.538 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.937 -4.101 -4.889 1.00 10.00 H new ATOM 805 N GLY A 51 -4.870 -2.317 -3.861 1.00 10.00 N ATOM 806 CA GLY A 51 -6.198 -1.917 -4.250 1.00 10.00 C ATOM 807 C GLY A 51 -7.213 -2.514 -3.300 1.00 10.00 C ATOM 808 O GLY A 51 -8.260 -3.015 -3.696 1.00 10.00 O ATOM 0 H GLY A 51 -4.252 -1.522 -3.696 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.276 -0.830 -4.244 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.403 -2.246 -5.269 1.00 10.00 H new ATOM 812 N GLY A 52 -6.901 -2.371 -2.011 1.00 10.00 N ATOM 813 CA GLY A 52 -7.804 -2.643 -0.938 1.00 10.00 C ATOM 814 C GLY A 52 -7.078 -2.309 0.351 1.00 10.00 C ATOM 815 O GLY A 52 -5.925 -1.861 0.364 1.00 10.00 O ATOM 0 H GLY A 52 -5.984 -2.053 -1.697 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.710 -2.045 -1.036 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.110 -3.689 -0.948 1.00 10.00 H new ATOM 819 N ASP A 53 -7.806 -2.538 1.429 1.00 10.00 N ATOM 820 CA ASP A 53 -7.321 -2.501 2.793 1.00 10.00 C ATOM 821 C ASP A 53 -6.311 -3.612 3.010 1.00 10.00 C ATOM 822 O ASP A 53 -6.669 -4.785 3.087 1.00 10.00 O ATOM 823 CB ASP A 53 -8.472 -2.561 3.801 1.00 10.00 C ATOM 824 CG ASP A 53 -9.154 -1.208 3.917 1.00 10.00 C ATOM 825 OD1 ASP A 53 -8.625 -0.377 4.689 1.00 10.00 O ATOM 826 OD2 ASP A 53 -10.160 -1.022 3.203 1.00 10.00 O ATOM 0 H ASP A 53 -8.799 -2.766 1.372 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.818 -1.549 2.961 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.196 -3.314 3.489 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.093 -2.868 4.776 1.00 10.00 H new ATOM 831 N ALA A 54 -5.044 -3.220 3.146 1.00 10.00 N ATOM 832 CA ALA A 54 -3.970 -4.122 3.534 1.00 10.00 C ATOM 833 C ALA A 54 -3.546 -3.826 4.976 1.00 10.00 C ATOM 834 O ALA A 54 -2.475 -4.246 5.412 1.00 10.00 O ATOM 835 CB ALA A 54 -2.818 -3.979 2.538 1.00 10.00 C ATOM 0 H ALA A 54 -4.737 -2.260 2.988 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.304 -5.159 3.507 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.008 -4.651 2.820 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.168 -4.233 1.538 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.456 -2.951 2.546 1.00 10.00 H new ATOM 841 N THR A 55 -4.388 -3.096 5.716 1.00 10.00 N ATOM 842 CA THR A 55 -4.078 -2.611 7.048 1.00 10.00 C ATOM 843 C THR A 55 -3.820 -3.789 7.997 1.00 10.00 C ATOM 844 O THR A 55 -2.743 -3.896 8.584 1.00 10.00 O ATOM 845 CB THR A 55 -5.222 -1.712 7.556 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.541 -0.663 6.657 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.799 -1.036 8.858 1.00 10.00 C ATOM 0 H THR A 55 -5.317 -2.826 5.393 1.00 10.00 H new ATOM 0 HA THR A 55 -3.168 -2.012 7.013 1.00 10.00 H new ATOM 0 HB THR A 55 -6.087 -2.364 7.677 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.222 -0.893 5.759 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.608 -0.400 9.217 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.575 -1.796 9.607 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.911 -0.429 8.681 1.00 10.00 H new ATOM 855 N GLU A 56 -4.809 -4.679 8.130 1.00 10.00 N ATOM 856 CA GLU A 56 -4.765 -5.815 9.018 1.00 10.00 C ATOM 857 C GLU A 56 -3.552 -6.645 8.645 1.00 10.00 C ATOM 858 O GLU A 56 -2.739 -6.928 9.502 1.00 10.00 O ATOM 859 CB GLU A 56 -6.062 -6.621 8.883 1.00 10.00 C ATOM 860 CG GLU A 56 -7.295 -5.772 9.226 1.00 10.00 C ATOM 861 CD GLU A 56 -8.566 -6.612 9.201 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.725 -7.362 8.214 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.347 -6.489 10.168 1.00 10.00 O ATOM 0 H GLU A 56 -5.680 -4.615 7.603 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.681 -5.502 10.059 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.152 -6.999 7.864 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.022 -7.488 9.542 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.170 -5.326 10.213 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.384 -4.951 8.514 1.00 10.00 H new ATOM 870 N ASN A 57 -3.405 -6.977 7.359 1.00 10.00 N ATOM 871 CA ASN A 57 -2.301 -7.776 6.838 1.00 10.00 C ATOM 872 C ASN A 57 -0.930 -7.183 7.204 1.00 10.00 C ATOM 873 O ASN A 57 -0.025 -7.889 7.657 1.00 10.00 O ATOM 874 CB ASN A 57 -2.472 -7.910 5.321 1.00 10.00 C ATOM 875 CG ASN A 57 -1.567 -8.996 4.755 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.400 -9.081 5.104 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.080 -9.833 3.861 1.00 10.00 N ATOM 0 H ASN A 57 -4.067 -6.689 6.638 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.328 -8.763 7.299 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.511 -8.143 5.089 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.244 -6.958 4.842 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.497 -10.563 3.453 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.057 -9.746 3.583 1.00 10.00 H new ATOM 884 N PHE A 58 -0.771 -5.871 7.002 1.00 10.00 N ATOM 885 CA PHE A 58 0.451 -5.162 7.354 1.00 10.00 C ATOM 886 C PHE A 58 0.788 -5.375 8.832 1.00 10.00 C ATOM 887 O PHE A 58 1.905 -5.777 9.169 1.00 10.00 O ATOM 888 CB PHE A 58 0.293 -3.673 7.026 1.00 10.00 C ATOM 889 CG PHE A 58 1.516 -2.837 7.335 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.673 -2.979 6.551 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.497 -1.911 8.396 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.789 -2.158 6.784 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.615 -1.093 8.630 1.00 10.00 C ATOM 894 CZ PHE A 58 3.759 -1.210 7.821 1.00 10.00 C ATOM 0 H PHE A 58 -1.489 -5.276 6.589 1.00 10.00 H new ATOM 0 HA PHE A 58 1.280 -5.559 6.769 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.053 -3.569 5.968 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.555 -3.277 7.585 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.705 -3.721 5.767 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.625 -1.830 9.028 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.670 -2.255 6.166 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.596 -0.372 9.434 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.613 -0.573 7.996 1.00 10.00 H new ATOM 904 N GLU A 59 -0.183 -5.119 9.710 1.00 10.00 N ATOM 905 CA GLU A 59 -0.011 -5.305 11.143 1.00 10.00 C ATOM 906 C GLU A 59 0.248 -6.768 11.507 1.00 10.00 C ATOM 907 O GLU A 59 1.071 -7.064 12.368 1.00 10.00 O ATOM 908 CB GLU A 59 -1.258 -4.788 11.870 1.00 10.00 C ATOM 909 CG GLU A 59 -1.414 -3.266 11.745 1.00 10.00 C ATOM 910 CD GLU A 59 -0.216 -2.507 12.296 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.461 -3.024 13.210 1.00 10.00 O ATOM 912 OE2 GLU A 59 0.085 -1.416 11.771 1.00 10.00 O ATOM 0 H GLU A 59 -1.107 -4.778 9.444 1.00 10.00 H new ATOM 0 HA GLU A 59 0.866 -4.739 11.457 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.143 -5.277 11.462 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.201 -5.060 12.924 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.554 -3.004 10.696 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.313 -2.952 12.275 1.00 10.00 H new ATOM 919 N ASP A 60 -0.457 -7.674 10.835 1.00 10.00 N ATOM 920 CA ASP A 60 -0.449 -9.114 11.034 1.00 10.00 C ATOM 921 C ASP A 60 0.976 -9.640 10.867 1.00 10.00 C ATOM 922 O ASP A 60 1.486 -10.391 11.697 1.00 10.00 O ATOM 923 CB ASP A 60 -1.415 -9.750 10.023 1.00 10.00 C ATOM 924 CG ASP A 60 -1.561 -11.241 10.280 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.273 -11.585 11.246 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.958 -12.007 9.496 1.00 10.00 O ATOM 0 H ASP A 60 -1.092 -7.398 10.086 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.781 -9.372 12.040 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.390 -9.267 10.092 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.048 -9.585 9.010 1.00 10.00 H new ATOM 931 N HIS A 61 1.652 -9.157 9.822 1.00 10.00 N ATOM 932 CA HIS A 61 3.059 -9.446 9.566 1.00 10.00 C ATOM 933 C HIS A 61 4.011 -8.844 10.611 1.00 10.00 C ATOM 934 O HIS A 61 5.192 -9.181 10.614 1.00 10.00 O ATOM 935 CB HIS A 61 3.421 -8.961 8.161 1.00 10.00 C ATOM 936 CG HIS A 61 2.962 -9.908 7.090 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.683 -10.018 6.599 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.713 -10.903 6.526 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.671 -11.059 5.750 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.886 -11.623 5.660 1.00 10.00 N ATOM 0 H HIS A 61 1.229 -8.547 9.123 1.00 10.00 H new ATOM 0 HA HIS A 61 3.188 -10.526 9.641 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.974 -7.982 7.992 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.501 -8.834 8.091 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.891 -9.421 6.835 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.758 -11.097 6.716 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.799 -11.398 5.211 1.00 10.00 H new ATOM 948 N GLY A 62 3.538 -7.950 11.483 1.00 10.00 N ATOM 949 CA GLY A 62 4.345 -7.372 12.547 1.00 10.00 C ATOM 950 C GLY A 62 5.490 -6.529 11.993 1.00 10.00 C ATOM 951 O GLY A 62 6.613 -6.606 12.486 1.00 10.00 O ATOM 0 H GLY A 62 2.577 -7.608 11.466 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.715 -6.754 13.187 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.749 -8.169 13.171 1.00 10.00 H new ATOM 955 N HIS A 63 5.199 -5.707 10.979 1.00 10.00 N ATOM 956 CA HIS A 63 6.206 -4.895 10.309 1.00 10.00 C ATOM 957 C HIS A 63 6.946 -3.966 11.277 1.00 10.00 C ATOM 958 O HIS A 63 6.350 -3.433 12.219 1.00 10.00 O ATOM 959 CB HIS A 63 5.555 -4.088 9.184 1.00 10.00 C ATOM 960 CG HIS A 63 5.340 -4.904 7.939 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.272 -5.725 7.679 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.142 -4.901 6.833 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.423 -6.197 6.429 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.543 -5.709 5.862 1.00 10.00 N ATOM 0 H HIS A 63 4.258 -5.590 10.604 1.00 10.00 H new ATOM 0 HA HIS A 63 6.951 -5.572 9.890 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.597 -3.698 9.529 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.183 -3.229 8.947 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.505 -5.938 8.316 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.075 -4.368 6.727 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.738 -6.877 5.944 1.00 10.00 H new ATOM 972 N SER A 64 8.239 -3.763 11.018 1.00 10.00 N ATOM 973 CA SER A 64 9.146 -2.980 11.844 1.00 10.00 C ATOM 974 C SER A 64 8.914 -1.473 11.690 1.00 10.00 C ATOM 975 O SER A 64 8.273 -1.017 10.739 1.00 10.00 O ATOM 976 CB SER A 64 10.588 -3.350 11.470 1.00 10.00 C ATOM 977 OG SER A 64 10.746 -4.751 11.566 1.00 10.00 O ATOM 0 H SER A 64 8.696 -4.156 10.195 1.00 10.00 H new ATOM 0 HA SER A 64 8.957 -3.215 12.891 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.811 -3.015 10.457 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.290 -2.846 12.135 1.00 10.00 H new ATOM 0 HG SER A 64 11.665 -4.994 11.327 1.00 10.00 H new ATOM 983 N THR A 65 9.469 -0.691 12.623 1.00 10.00 N ATOM 984 CA THR A 65 9.437 0.766 12.570 1.00 10.00 C ATOM 985 C THR A 65 9.912 1.261 11.207 1.00 10.00 C ATOM 986 O THR A 65 9.197 2.005 10.562 1.00 10.00 O ATOM 987 CB THR A 65 10.206 1.388 13.745 1.00 10.00 C ATOM 988 OG1 THR A 65 10.066 2.790 13.714 1.00 10.00 O ATOM 989 CG2 THR A 65 11.695 1.027 13.806 1.00 10.00 C ATOM 0 H THR A 65 9.956 -1.059 13.440 1.00 10.00 H new ATOM 0 HA THR A 65 8.406 1.100 12.684 1.00 10.00 H new ATOM 0 HB THR A 65 9.760 0.962 14.644 1.00 10.00 H new ATOM 0 HG1 THR A 65 10.556 3.184 14.465 1.00 10.00 H new ATOM 0 HG21 THR A 65 12.152 1.513 14.668 1.00 10.00 H new ATOM 0 HG22 THR A 65 11.804 -0.054 13.898 1.00 10.00 H new ATOM 0 HG23 THR A 65 12.189 1.365 12.895 1.00 10.00 H new ATOM 997 N ASP A 66 11.058 0.817 10.703 1.00 10.00 N ATOM 998 CA ASP A 66 11.600 1.283 9.430 1.00 10.00 C ATOM 999 C ASP A 66 10.565 1.156 8.306 1.00 10.00 C ATOM 1000 O ASP A 66 10.394 2.070 7.505 1.00 10.00 O ATOM 1001 CB ASP A 66 12.864 0.467 9.104 1.00 10.00 C ATOM 1002 CG ASP A 66 13.810 0.336 10.294 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.369 -0.300 11.283 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.928 0.884 10.207 1.00 10.00 O ATOM 0 H ASP A 66 11.641 0.120 11.167 1.00 10.00 H new ATOM 0 HA ASP A 66 11.855 2.339 9.513 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.571 -0.528 8.768 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.393 0.940 8.277 1.00 10.00 H new ATOM 1009 N ALA A 67 9.839 0.035 8.264 1.00 10.00 N ATOM 1010 CA ALA A 67 8.784 -0.211 7.301 1.00 10.00 C ATOM 1011 C ALA A 67 7.607 0.737 7.543 1.00 10.00 C ATOM 1012 O ALA A 67 7.051 1.309 6.612 1.00 10.00 O ATOM 1013 CB ALA A 67 8.339 -1.673 7.385 1.00 10.00 C ATOM 0 H ALA A 67 9.978 -0.737 8.916 1.00 10.00 H new ATOM 0 HA ALA A 67 9.164 -0.021 6.297 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.546 -1.854 6.660 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.186 -2.324 7.167 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.968 -1.883 8.388 1.00 10.00 H new ATOM 1019 N ARG A 68 7.221 0.893 8.809 1.00 10.00 N ATOM 1020 CA ARG A 68 6.213 1.837 9.280 1.00 10.00 C ATOM 1021 C ARG A 68 6.553 3.278 8.854 1.00 10.00 C ATOM 1022 O ARG A 68 5.808 3.876 8.079 1.00 10.00 O ATOM 1023 CB ARG A 68 6.083 1.629 10.797 1.00 10.00 C ATOM 1024 CG ARG A 68 5.153 0.449 11.086 1.00 10.00 C ATOM 1025 CD ARG A 68 5.260 0.003 12.549 1.00 10.00 C ATOM 1026 NE ARG A 68 4.722 -1.352 12.725 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.426 -1.691 12.739 1.00 10.00 C ATOM 1028 NH1 ARG A 68 2.497 -0.742 12.617 1.00 10.00 N ATOM 1029 NH2 ARG A 68 3.078 -2.971 12.870 1.00 10.00 N ATOM 0 H ARG A 68 7.621 0.339 9.566 1.00 10.00 H new ATOM 0 HA ARG A 68 5.240 1.657 8.823 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.065 1.444 11.232 1.00 10.00 H new ATOM 0 HB3 ARG A 68 5.693 2.533 11.264 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.124 0.731 10.864 1.00 10.00 H new ATOM 0 HG3 ARG A 68 5.404 -0.384 10.430 1.00 10.00 H new ATOM 0 HD2 ARG A 68 6.303 0.028 12.866 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.716 0.700 13.186 1.00 10.00 H new ATOM 0 HE ARG A 68 5.398 -2.106 12.848 1.00 10.00 H new ATOM 0 HH11 ARG A 68 2.775 0.234 12.514 1.00 10.00 H new ATOM 0 HH12 ARG A 68 1.508 -0.992 12.627 1.00 10.00 H new ATOM 0 HH21 ARG A 68 3.797 -3.689 12.959 1.00 10.00 H new ATOM 0 HH22 ARG A 68 2.092 -3.233 12.881 1.00 10.00 H new ATOM 1043 N GLU A 69 7.677 3.828 9.315 1.00 10.00 N ATOM 1044 CA GLU A 69 8.330 5.024 8.790 1.00 10.00 C ATOM 1045 C GLU A 69 8.204 5.123 7.260 1.00 10.00 C ATOM 1046 O GLU A 69 7.636 6.086 6.731 1.00 10.00 O ATOM 1047 CB GLU A 69 9.802 5.002 9.248 1.00 10.00 C ATOM 1048 CG GLU A 69 10.004 5.139 10.768 1.00 10.00 C ATOM 1049 CD GLU A 69 9.256 6.297 11.403 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.175 7.387 10.791 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.647 6.096 12.479 1.00 10.00 O ATOM 0 H GLU A 69 8.182 3.429 10.106 1.00 10.00 H new ATOM 0 HA GLU A 69 7.837 5.914 9.181 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.257 4.069 8.917 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.336 5.811 8.750 1.00 10.00 H new ATOM 0 HG2 GLU A 69 9.688 4.213 11.248 1.00 10.00 H new ATOM 0 HG3 GLU A 69 11.069 5.256 10.971 1.00 10.00 H new ATOM 1058 N LEU A 70 8.693 4.109 6.540 1.00 10.00 N ATOM 1059 CA LEU A 70 8.569 4.052 5.087 1.00 10.00 C ATOM 1060 C LEU A 70 7.121 4.293 4.638 1.00 10.00 C ATOM 1061 O LEU A 70 6.850 5.091 3.744 1.00 10.00 O ATOM 1062 CB LEU A 70 9.092 2.714 4.521 1.00 10.00 C ATOM 1063 CG LEU A 70 10.408 2.798 3.729 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.471 4.016 2.800 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.617 2.785 4.668 1.00 10.00 C ATOM 0 H LEU A 70 9.182 3.312 6.947 1.00 10.00 H new ATOM 0 HA LEU A 70 9.190 4.853 4.685 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.231 2.019 5.349 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.325 2.289 3.873 1.00 10.00 H new ATOM 0 HG LEU A 70 10.438 1.911 3.096 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.423 4.020 2.269 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.654 3.967 2.080 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.381 4.928 3.390 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.534 2.845 4.082 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.562 3.638 5.344 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.617 1.862 5.248 1.00 10.00 H new ATOM 1077 N SER A 71 6.177 3.631 5.303 1.00 10.00 N ATOM 1078 CA SER A 71 4.757 3.764 5.038 1.00 10.00 C ATOM 1079 C SER A 71 4.344 5.230 5.119 1.00 10.00 C ATOM 1080 O SER A 71 3.610 5.707 4.258 1.00 10.00 O ATOM 1081 CB SER A 71 3.973 2.862 6.008 1.00 10.00 C ATOM 1082 OG SER A 71 2.857 2.283 5.370 1.00 10.00 O ATOM 0 H SER A 71 6.388 2.975 6.055 1.00 10.00 H new ATOM 0 HA SER A 71 4.525 3.433 4.026 1.00 10.00 H new ATOM 0 HB2 SER A 71 4.626 2.077 6.389 1.00 10.00 H new ATOM 0 HB3 SER A 71 3.643 3.446 6.867 1.00 10.00 H new ATOM 0 HG SER A 71 2.374 2.971 4.867 1.00 10.00 H new ATOM 1088 N LYS A 72 4.857 5.970 6.106 1.00 10.00 N ATOM 1089 CA LYS A 72 4.544 7.389 6.221 1.00 10.00 C ATOM 1090 C LYS A 72 4.918 8.096 4.929 1.00 10.00 C ATOM 1091 O LYS A 72 4.084 8.750 4.311 1.00 10.00 O ATOM 1092 CB LYS A 72 5.283 8.057 7.386 1.00 10.00 C ATOM 1093 CG LYS A 72 5.147 7.283 8.693 1.00 10.00 C ATOM 1094 CD LYS A 72 5.857 8.084 9.790 1.00 10.00 C ATOM 1095 CE LYS A 72 5.916 7.316 11.114 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.934 7.896 12.011 1.00 10.00 N ATOM 0 H LYS A 72 5.483 5.612 6.827 1.00 10.00 H new ATOM 0 HA LYS A 72 3.474 7.471 6.413 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.339 8.152 7.134 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.896 9.067 7.525 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.096 7.140 8.944 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.590 6.292 8.597 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.869 8.325 9.465 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.337 9.030 9.942 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.940 7.342 11.599 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.148 6.268 10.922 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.263 7.169 12.678 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.738 8.239 11.448 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.519 8.689 12.540 1.00 10.00 H new ATOM 1110 N THR A 73 6.177 7.949 4.519 1.00 10.00 N ATOM 1111 CA THR A 73 6.632 8.637 3.311 1.00 10.00 C ATOM 1112 C THR A 73 5.877 8.136 2.064 1.00 10.00 C ATOM 1113 O THR A 73 5.684 8.887 1.111 1.00 10.00 O ATOM 1114 CB THR A 73 8.169 8.670 3.192 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.562 9.707 2.317 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.811 7.370 2.712 1.00 10.00 C ATOM 0 H THR A 73 6.881 7.379 4.988 1.00 10.00 H new ATOM 0 HA THR A 73 6.365 9.691 3.393 1.00 10.00 H new ATOM 0 HB THR A 73 8.523 8.835 4.210 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.539 9.723 2.247 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.893 7.495 2.662 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.571 6.567 3.409 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.428 7.119 1.723 1.00 10.00 H new ATOM 1124 N PHE A 74 5.395 6.887 2.078 1.00 10.00 N ATOM 1125 CA PHE A 74 4.572 6.352 0.998 1.00 10.00 C ATOM 1126 C PHE A 74 3.149 6.922 0.972 1.00 10.00 C ATOM 1127 O PHE A 74 2.450 6.723 -0.024 1.00 10.00 O ATOM 1128 CB PHE A 74 4.471 4.830 1.099 1.00 10.00 C ATOM 1129 CG PHE A 74 5.752 4.021 1.085 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.920 4.478 0.444 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.690 2.695 1.544 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.030 3.624 0.315 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.748 1.812 1.300 1.00 10.00 C ATOM 1134 CZ PHE A 74 7.954 2.301 0.783 1.00 10.00 C ATOM 0 H PHE A 74 5.566 6.226 2.836 1.00 10.00 H new ATOM 0 HA PHE A 74 5.074 6.652 0.078 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.939 4.593 2.020 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.850 4.483 0.273 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.963 5.483 0.052 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.821 2.355 2.088 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.939 3.984 -0.143 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.635 0.759 1.509 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.824 1.663 0.744 1.00 10.00 H new ATOM 1144 N ILE A 75 2.679 7.565 2.049 1.00 10.00 N ATOM 1145 CA ILE A 75 1.354 8.196 2.030 1.00 10.00 C ATOM 1146 C ILE A 75 1.248 9.181 0.860 1.00 10.00 C ATOM 1147 O ILE A 75 1.939 10.197 0.837 1.00 10.00 O ATOM 1148 CB ILE A 75 1.001 8.876 3.370 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.769 7.790 4.425 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.274 9.730 3.255 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.789 8.327 5.859 1.00 10.00 C ATOM 0 H ILE A 75 3.186 7.661 2.929 1.00 10.00 H new ATOM 0 HA ILE A 75 0.620 7.403 1.887 1.00 10.00 H new ATOM 0 HB ILE A 75 1.827 9.530 3.649 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.191 7.310 4.237 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.535 7.022 4.321 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.490 10.192 4.218 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -0.125 10.507 2.505 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.111 9.097 2.961 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.619 7.507 6.557 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.758 8.782 6.064 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.005 9.074 5.979 1.00 10.00 H new ATOM 1163 N ILE A 76 0.341 8.902 -0.081 1.00 10.00 N ATOM 1164 CA ILE A 76 0.026 9.781 -1.210 1.00 10.00 C ATOM 1165 C ILE A 76 -1.352 10.426 -1.054 1.00 10.00 C ATOM 1166 O ILE A 76 -1.737 11.269 -1.865 1.00 10.00 O ATOM 1167 CB ILE A 76 0.031 8.977 -2.522 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.820 7.700 -2.390 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.462 8.645 -2.958 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.559 7.341 -3.679 1.00 10.00 C ATOM 0 H ILE A 76 -0.206 8.041 -0.079 1.00 10.00 H new ATOM 0 HA ILE A 76 0.786 10.562 -1.232 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.418 9.598 -3.298 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.176 6.869 -2.103 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.545 7.834 -1.587 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.436 8.077 -3.888 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.019 9.569 -3.113 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.950 8.053 -2.184 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -2.141 6.433 -3.524 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -2.227 8.157 -3.955 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.837 7.177 -4.479 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.153 9.946 -0.104 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.584 9.900 -0.324 1.00 10.00 C ATOM 1184 C GLY A 77 -4.302 9.516 0.942 1.00 10.00 C ATOM 1185 O GLY A 77 -3.682 9.161 1.946 1.00 10.00 O ATOM 0 H GLY A 77 -1.840 9.594 0.800 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.936 10.873 -0.668 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.814 9.182 -1.111 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.625 9.502 0.832 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.499 8.883 1.782 1.00 10.00 C ATOM 1191 C GLU A 78 -7.597 8.195 0.999 1.00 10.00 C ATOM 1192 O GLU A 78 -7.841 8.552 -0.152 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.087 9.946 2.712 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.040 10.703 3.538 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.315 11.854 2.846 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.662 12.236 1.706 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.406 12.362 3.538 1.00 10.00 O ATOM 0 H GLU A 78 -6.119 9.937 0.053 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.963 8.160 2.397 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.652 10.663 2.116 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.794 9.469 3.391 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.530 11.097 4.428 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.292 9.986 3.877 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.244 7.225 1.631 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.376 6.527 1.058 1.00 10.00 C ATOM 1206 C LEU A 79 -10.609 7.337 1.413 1.00 10.00 C ATOM 1207 O LEU A 79 -10.899 7.542 2.590 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.453 5.072 1.528 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.612 4.249 0.917 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.668 3.948 1.974 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.399 4.868 -0.235 1.00 10.00 C ATOM 0 H LEU A 79 -7.992 6.901 2.565 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.282 6.451 -0.025 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.511 4.578 1.289 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.552 5.061 2.613 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.075 3.384 0.527 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.476 3.369 1.527 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.218 3.377 2.786 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -12.067 4.883 2.367 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.177 4.176 -0.558 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.857 5.800 0.097 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.726 5.071 -1.068 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.252 7.852 0.369 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.312 8.829 0.365 1.00 10.00 C ATOM 1225 C HIS A 80 -13.403 8.695 1.442 1.00 10.00 C ATOM 1226 O HIS A 80 -13.581 7.624 2.022 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.786 8.907 -1.075 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.601 10.098 -1.409 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -14.924 10.101 -1.766 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.115 11.371 -1.444 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.255 11.390 -1.968 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.192 12.200 -1.778 1.00 10.00 N ATOM 0 H HIS A 80 -11.014 7.562 -0.580 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.926 9.793 0.697 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -11.914 8.889 -1.729 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.370 8.014 -1.297 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.098 11.679 -1.252 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.241 11.731 -2.246 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.177 13.216 -1.861 1.00 10.00 H new