USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=22 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 64 SER OG : rot -111:sc= 0.262 USER MOD Set 1.2: A 65 THR OG1 : rot 82:sc= 1.28 USER MOD Set 2.1: A 49 GLN : amide:sc= 1.36 K(o=3.4,f=-1.4) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.996 K(o=3.4,f=-0.5) USER MOD Set 2.3: A 61 HIS : no HE2:sc= 1.06 K(o=3.4,f=-1.5!) USER MOD Set 3.1: A 39 HIS : no HE2:sc= -0.0684 K(o=0.48,f=-4!) USER MOD Set 3.2: A 63 HIS : no HE2:sc= 0.551 K(o=0.48,f=-3.6!) USER MOD Set 4.1: A 20 SER OG : rot -21:sc= 0.385 USER MOD Set 4.2: A 33 THR OG1 : rot 101:sc= 2.7 USER MOD Set 4.3: A 34 LYS NZ :NH3+ 173:sc= 1.59 (180deg=0.741) USER MOD Set 5.1: A 13 GLN : amide:sc= -8.54! K(o=-13!,f=3.6) USER MOD Set 5.2: A 14 LYS NZ :NH3+ 153:sc= -4.51! (180deg=2) 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 180:sc= -0.0856 USER MOD Single : A 15 HIS : no HE2:sc= 0.0856 K(o=0.086,f=-4!) USER MOD Single : A 16 ASN : amide:sc= 0.586 K(o=0.59,f=-2.9!) USER MOD Single : A 21 THR OG1 : rot -140:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0.617 K(o=0.62,f=-4.9!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -132:sc= 1.15 (180deg=-0.18) USER MOD Single : A 30 TYR OH : rot 30:sc= 1.17 USER MOD Single : A 55 THR OG1 : rot 97:sc= 1.89 USER MOD Single : A 71 SER OG : rot -54:sc= 1.04 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0.795 (180deg=-2.51!) USER MOD Single : A 73 THR OG1 : rot 78:sc= 0.663 USER MOD Single : A 80 HIS : no HD1:sc= -0.807 K(o=-0.81,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -7.744 13.368 -0.795 1.00 10.00 N ATOM 52 CA TYR A 6 -8.498 12.147 -0.796 1.00 10.00 C ATOM 53 C TYR A 6 -8.488 11.460 -2.151 1.00 10.00 C ATOM 54 O TYR A 6 -8.211 12.033 -3.202 1.00 10.00 O ATOM 55 CB TYR A 6 -9.917 12.328 -0.287 1.00 10.00 C ATOM 56 CG TYR A 6 -10.100 12.359 1.206 1.00 10.00 C ATOM 57 CD1 TYR A 6 -10.076 11.137 1.885 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.430 13.536 1.898 1.00 10.00 C ATOM 59 CE1 TYR A 6 -10.264 11.086 3.268 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.600 13.493 3.295 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.473 12.274 3.986 1.00 10.00 C ATOM 62 OH TYR A 6 -10.665 12.224 5.335 1.00 10.00 O ATOM 0 HA TYR A 6 -7.988 11.491 -0.091 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.310 13.258 -0.697 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.528 11.520 -0.688 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -9.910 10.223 1.334 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.552 14.466 1.363 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -10.249 10.137 3.783 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.829 14.398 3.838 1.00 10.00 H new ATOM 0 HH TYR A 6 -10.794 13.132 5.681 1.00 10.00 H new ATOM 72 N TYR A 7 -8.738 10.167 -2.048 1.00 10.00 N ATOM 73 CA TYR A 7 -8.605 9.186 -3.079 1.00 10.00 C ATOM 74 C TYR A 7 -9.741 8.190 -2.853 1.00 10.00 C ATOM 75 O TYR A 7 -10.037 7.787 -1.733 1.00 10.00 O ATOM 76 CB TYR A 7 -7.207 8.596 -2.877 1.00 10.00 C ATOM 77 CG TYR A 7 -6.096 8.959 -3.860 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.214 10.034 -4.772 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.818 8.425 -3.615 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.082 10.549 -5.426 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.686 8.959 -4.251 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.822 9.991 -5.187 1.00 10.00 C ATOM 83 OH TYR A 7 -2.709 10.502 -5.791 1.00 10.00 O ATOM 0 H TYR A 7 -9.063 9.758 -1.172 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.683 9.546 -4.105 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.870 8.883 -1.881 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.306 7.510 -2.879 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.185 10.464 -4.968 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.706 7.596 -2.931 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.185 11.376 -6.113 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.705 8.572 -4.017 1.00 10.00 H new ATOM 0 HH TYR A 7 -1.921 9.992 -5.509 1.00 10.00 H new ATOM 93 N THR A 8 -10.445 7.865 -3.925 1.00 10.00 N ATOM 94 CA THR A 8 -11.669 7.082 -3.851 1.00 10.00 C ATOM 95 C THR A 8 -11.316 5.615 -4.061 1.00 10.00 C ATOM 96 O THR A 8 -10.370 5.322 -4.790 1.00 10.00 O ATOM 97 CB THR A 8 -12.645 7.554 -4.935 1.00 10.00 C ATOM 98 OG1 THR A 8 -12.038 7.467 -6.209 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.088 8.997 -4.686 1.00 10.00 C ATOM 0 H THR A 8 -10.184 8.137 -4.873 1.00 10.00 H new ATOM 0 HA THR A 8 -12.143 7.209 -2.878 1.00 10.00 H new ATOM 0 HB THR A 8 -13.521 6.906 -4.900 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.670 7.769 -6.894 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.780 9.306 -5.470 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.584 9.063 -3.718 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.216 9.652 -4.693 1.00 10.00 H new ATOM 107 N LEU A 9 -12.072 4.684 -3.479 1.00 10.00 N ATOM 108 CA LEU A 9 -11.914 3.263 -3.779 1.00 10.00 C ATOM 109 C LEU A 9 -11.882 3.012 -5.281 1.00 10.00 C ATOM 110 O LEU A 9 -11.062 2.222 -5.741 1.00 10.00 O ATOM 111 CB LEU A 9 -12.983 2.467 -3.041 1.00 10.00 C ATOM 112 CG LEU A 9 -13.190 0.996 -3.440 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.790 0.246 -2.243 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.148 0.831 -4.628 1.00 10.00 C ATOM 0 H LEU A 9 -12.801 4.890 -2.796 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.948 2.913 -3.416 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.746 2.495 -1.978 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.933 2.985 -3.169 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.218 0.599 -3.733 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.944 -0.800 -2.509 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.108 0.309 -1.395 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.746 0.696 -1.974 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.255 -0.228 -4.864 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.122 1.246 -4.370 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.747 1.357 -5.494 1.00 10.00 H new ATOM 126 N GLU A 10 -12.719 3.728 -6.043 1.00 10.00 N ATOM 127 CA GLU A 10 -12.690 3.713 -7.498 1.00 10.00 C ATOM 128 C GLU A 10 -11.245 3.767 -7.994 1.00 10.00 C ATOM 129 O GLU A 10 -10.786 2.818 -8.625 1.00 10.00 O ATOM 130 CB GLU A 10 -13.518 4.882 -8.052 1.00 10.00 C ATOM 131 CG GLU A 10 -13.653 4.868 -9.584 1.00 10.00 C ATOM 132 CD GLU A 10 -14.336 3.612 -10.105 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.572 3.530 -9.957 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.603 2.742 -10.624 1.00 10.00 O ATOM 0 H GLU A 10 -13.440 4.337 -5.656 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.134 2.786 -7.860 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.513 4.855 -7.608 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -13.057 5.821 -7.745 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.220 5.743 -9.902 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.663 4.950 -10.032 1.00 10.00 H new ATOM 141 N GLU A 11 -10.526 4.841 -7.659 1.00 10.00 N ATOM 142 CA GLU A 11 -9.125 5.008 -8.032 1.00 10.00 C ATOM 143 C GLU A 11 -8.279 3.911 -7.406 1.00 10.00 C ATOM 144 O GLU A 11 -7.421 3.306 -8.049 1.00 10.00 O ATOM 145 CB GLU A 11 -8.581 6.346 -7.505 1.00 10.00 C ATOM 146 CG GLU A 11 -9.184 7.577 -8.198 1.00 10.00 C ATOM 147 CD GLU A 11 -8.710 7.756 -9.637 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.799 7.006 -10.048 1.00 10.00 O ATOM 149 OE2 GLU A 11 -9.264 8.661 -10.296 1.00 10.00 O ATOM 0 H GLU A 11 -10.903 5.620 -7.120 1.00 10.00 H new ATOM 0 HA GLU A 11 -9.072 4.971 -9.120 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.777 6.411 -6.435 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.499 6.363 -7.632 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.271 7.494 -8.189 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.928 8.469 -7.626 1.00 10.00 H new ATOM 156 N ILE A 12 -8.467 3.711 -6.104 1.00 10.00 N ATOM 157 CA ILE A 12 -7.525 2.938 -5.330 1.00 10.00 C ATOM 158 C ILE A 12 -7.461 1.506 -5.860 1.00 10.00 C ATOM 159 O ILE A 12 -6.366 0.970 -6.005 1.00 10.00 O ATOM 160 CB ILE A 12 -7.840 3.020 -3.824 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.720 4.457 -3.280 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.888 2.129 -3.025 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.541 4.653 -2.003 1.00 10.00 C ATOM 0 H ILE A 12 -9.260 4.074 -5.574 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.528 3.364 -5.446 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.870 2.682 -3.708 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.673 4.682 -3.077 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -8.056 5.162 -4.040 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.127 2.201 -1.964 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.997 1.095 -3.352 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.861 2.455 -3.189 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.429 5.679 -1.652 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.592 4.454 -2.212 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.187 3.966 -1.234 1.00 10.00 H new ATOM 175 N GLN A 13 -8.614 0.915 -6.199 1.00 10.00 N ATOM 176 CA GLN A 13 -8.677 -0.433 -6.765 1.00 10.00 C ATOM 177 C GLN A 13 -7.797 -0.474 -8.007 1.00 10.00 C ATOM 178 O GLN A 13 -6.928 -1.320 -8.193 1.00 10.00 O ATOM 179 CB GLN A 13 -10.095 -0.734 -7.276 1.00 10.00 C ATOM 180 CG GLN A 13 -11.175 -1.098 -6.262 1.00 10.00 C ATOM 181 CD GLN A 13 -12.496 -1.357 -6.988 1.00 10.00 C ATOM 182 OE1 GLN A 13 -13.344 -2.058 -6.401 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.624 -0.865 -8.138 1.00 10.00 N ATOM 0 H GLN A 13 -9.526 1.359 -6.088 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.372 -1.140 -5.994 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.440 0.140 -7.828 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.022 -1.554 -7.991 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.877 -1.984 -5.701 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.297 -0.290 -5.541 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.873 -0.302 -8.538 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.478 -1.029 -8.671 1.00 10.00 H new ATOM 190 N LYS A 14 -8.131 0.472 -8.877 1.00 10.00 N ATOM 191 CA LYS A 14 -7.583 0.712 -10.189 1.00 10.00 C ATOM 192 C LYS A 14 -6.056 0.726 -10.098 1.00 10.00 C ATOM 193 O LYS A 14 -5.358 0.086 -10.888 1.00 10.00 O ATOM 194 CB LYS A 14 -8.181 2.058 -10.636 1.00 10.00 C ATOM 195 CG LYS A 14 -8.966 2.039 -11.955 1.00 10.00 C ATOM 196 CD LYS A 14 -10.489 1.879 -11.744 1.00 10.00 C ATOM 197 CE LYS A 14 -10.953 0.584 -11.040 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.974 0.853 -10.005 1.00 10.00 N ATOM 0 H LYS A 14 -8.861 1.148 -8.652 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.830 -0.059 -10.919 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.842 2.419 -9.848 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.370 2.781 -10.729 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.775 2.964 -12.500 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.602 1.221 -12.577 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.845 2.730 -11.163 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -10.976 1.932 -12.718 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.359 -0.106 -11.780 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.094 0.092 -10.583 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.575 0.013 -9.883 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.505 1.077 -9.104 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.562 1.659 -10.298 1.00 10.00 H new ATOM 212 N HIS A 15 -5.537 1.425 -9.092 1.00 10.00 N ATOM 213 CA HIS A 15 -4.122 1.456 -8.776 1.00 10.00 C ATOM 214 C HIS A 15 -3.624 0.166 -8.107 1.00 10.00 C ATOM 215 O HIS A 15 -3.111 0.151 -6.989 1.00 10.00 O ATOM 216 CB HIS A 15 -3.835 2.695 -7.943 1.00 10.00 C ATOM 217 CG HIS A 15 -3.546 3.903 -8.786 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.284 4.266 -9.175 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.436 4.756 -9.380 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.398 5.331 -9.982 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.689 5.665 -10.141 1.00 10.00 N ATOM 0 H HIS A 15 -6.104 1.995 -8.465 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.559 1.512 -9.708 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.690 2.902 -7.299 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.984 2.500 -7.290 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.414 3.809 -8.900 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.511 4.733 -9.281 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.568 5.848 -10.440 1.00 10.00 H new ATOM 229 N ASN A 16 -3.670 -0.920 -8.866 1.00 10.00 N ATOM 230 CA ASN A 16 -2.962 -2.164 -8.565 1.00 10.00 C ATOM 231 C ASN A 16 -2.486 -2.869 -9.835 1.00 10.00 C ATOM 232 O ASN A 16 -2.161 -4.053 -9.808 1.00 10.00 O ATOM 233 CB ASN A 16 -3.806 -3.072 -7.664 1.00 10.00 C ATOM 234 CG ASN A 16 -5.007 -3.729 -8.341 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.228 -3.599 -9.543 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.790 -4.462 -7.556 1.00 10.00 N ATOM 0 H ASN A 16 -4.212 -0.965 -9.729 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.061 -1.911 -8.006 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.164 -3.855 -7.261 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.163 -2.486 -6.817 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.603 -4.938 -7.947 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.578 -4.549 -6.562 1.00 10.00 H new ATOM 290 N SER A 20 0.662 2.394 -10.923 1.00 10.00 N ATOM 291 CA SER A 20 1.384 2.538 -9.674 1.00 10.00 C ATOM 292 C SER A 20 0.494 1.898 -8.609 1.00 10.00 C ATOM 293 O SER A 20 -0.725 2.050 -8.659 1.00 10.00 O ATOM 294 CB SER A 20 1.781 4.000 -9.398 1.00 10.00 C ATOM 295 OG SER A 20 2.917 4.082 -8.553 1.00 10.00 O ATOM 0 HA SER A 20 2.349 2.032 -9.691 1.00 10.00 H new ATOM 0 HB2 SER A 20 1.991 4.505 -10.341 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.944 4.524 -8.936 1.00 10.00 H new ATOM 0 HG SER A 20 3.014 3.245 -8.053 1.00 10.00 H new ATOM 301 N THR A 21 1.101 1.092 -7.750 1.00 10.00 N ATOM 302 CA THR A 21 0.506 0.085 -6.888 1.00 10.00 C ATOM 303 C THR A 21 0.232 0.653 -5.490 1.00 10.00 C ATOM 304 O THR A 21 1.169 0.944 -4.741 1.00 10.00 O ATOM 305 CB THR A 21 1.490 -1.093 -6.851 1.00 10.00 C ATOM 306 OG1 THR A 21 1.837 -1.457 -8.173 1.00 10.00 O ATOM 307 CG2 THR A 21 0.928 -2.309 -6.116 1.00 10.00 C ATOM 0 H THR A 21 2.113 1.131 -7.629 1.00 10.00 H new ATOM 0 HA THR A 21 -0.461 -0.244 -7.268 1.00 10.00 H new ATOM 0 HB THR A 21 2.371 -0.763 -6.300 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.883 -2.433 -8.242 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.666 -3.111 -6.121 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.696 -2.037 -5.087 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.020 -2.648 -6.615 1.00 10.00 H new ATOM 315 N TRP A 22 -1.056 0.815 -5.168 1.00 10.00 N ATOM 316 CA TRP A 22 -1.595 1.474 -3.982 1.00 10.00 C ATOM 317 C TRP A 22 -2.136 0.444 -2.993 1.00 10.00 C ATOM 318 O TRP A 22 -2.583 -0.611 -3.415 1.00 10.00 O ATOM 319 CB TRP A 22 -2.731 2.393 -4.444 1.00 10.00 C ATOM 320 CG TRP A 22 -2.301 3.655 -5.138 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.064 3.927 -5.603 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.120 4.786 -5.546 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.065 5.112 -6.299 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.330 5.673 -6.337 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.459 5.149 -5.316 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.879 6.823 -6.934 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.033 6.260 -5.951 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.257 7.072 -6.793 1.00 10.00 C ATOM 0 H TRP A 22 -1.797 0.463 -5.774 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.812 2.041 -3.479 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.378 1.831 -5.117 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.332 2.663 -3.576 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.196 3.302 -5.450 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.239 5.525 -6.732 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.057 4.560 -4.637 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.253 7.504 -7.492 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.076 6.492 -5.792 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.717 7.887 -7.332 1.00 10.00 H new ATOM 339 N LEU A 23 -2.149 0.733 -1.688 1.00 10.00 N ATOM 340 CA LEU A 23 -2.908 -0.044 -0.705 1.00 10.00 C ATOM 341 C LEU A 23 -3.400 0.886 0.397 1.00 10.00 C ATOM 342 O LEU A 23 -2.882 1.996 0.517 1.00 10.00 O ATOM 343 CB LEU A 23 -2.114 -1.224 -0.102 1.00 10.00 C ATOM 344 CG LEU A 23 -0.665 -1.414 -0.564 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.213 -0.494 0.269 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.222 -2.869 -0.380 1.00 10.00 C ATOM 0 H LEU A 23 -1.632 1.514 -1.284 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.751 -0.492 -1.231 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.108 -1.106 0.982 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.659 -2.142 -0.320 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.579 -1.173 -1.624 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.253 -0.607 -0.038 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.099 0.540 0.120 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.115 -0.754 1.323 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.809 -2.980 -0.714 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.293 -3.141 0.673 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.867 -3.523 -0.968 1.00 10.00 H new ATOM 358 N ILE A 24 -4.383 0.440 1.190 1.00 10.00 N ATOM 359 CA ILE A 24 -4.879 1.185 2.345 1.00 10.00 C ATOM 360 C ILE A 24 -4.315 0.582 3.626 1.00 10.00 C ATOM 361 O ILE A 24 -4.522 -0.603 3.878 1.00 10.00 O ATOM 362 CB ILE A 24 -6.423 1.215 2.400 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.089 1.377 1.023 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.883 2.330 3.348 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.604 1.163 1.079 1.00 10.00 C ATOM 0 H ILE A 24 -4.856 -0.452 1.044 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.542 2.217 2.245 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.742 0.242 2.774 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.880 2.374 0.636 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.650 0.665 0.324 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.972 2.349 3.385 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.489 2.144 4.347 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.515 3.290 2.986 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.026 1.288 0.082 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.816 0.156 1.439 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.050 1.892 1.756 1.00 10.00 H new ATOM 377 N LEU A 25 -3.610 1.398 4.415 1.00 10.00 N ATOM 378 CA LEU A 25 -2.989 1.017 5.681 1.00 10.00 C ATOM 379 C LEU A 25 -3.409 2.054 6.725 1.00 10.00 C ATOM 380 O LEU A 25 -2.767 3.091 6.871 1.00 10.00 O ATOM 381 CB LEU A 25 -1.461 0.986 5.539 1.00 10.00 C ATOM 382 CG LEU A 25 -0.838 -0.345 5.100 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.389 -0.888 3.786 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.669 -0.147 4.923 1.00 10.00 C ATOM 0 H LEU A 25 -3.452 2.377 4.178 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.310 0.020 5.982 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.170 1.752 4.820 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.024 1.267 6.497 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.083 -1.067 5.879 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.897 -1.831 3.547 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.462 -1.053 3.882 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.203 -0.169 2.988 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.125 -1.086 4.611 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.849 0.614 4.164 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.107 0.173 5.868 1.00 10.00 H new ATOM 396 N HIS A 26 -4.486 1.797 7.463 1.00 10.00 N ATOM 397 CA HIS A 26 -5.010 2.720 8.465 1.00 10.00 C ATOM 398 C HIS A 26 -5.681 3.916 7.770 1.00 10.00 C ATOM 399 O HIS A 26 -5.397 5.074 8.077 1.00 10.00 O ATOM 400 CB HIS A 26 -3.929 3.136 9.494 1.00 10.00 C ATOM 401 CG HIS A 26 -2.981 2.046 9.961 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.232 1.126 10.954 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.678 1.861 9.561 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.112 0.401 11.132 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.125 0.817 10.316 1.00 10.00 N ATOM 0 H HIS A 26 -5.024 0.934 7.381 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.775 2.209 9.050 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.336 3.940 9.059 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.432 3.548 10.369 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -4.109 1.014 11.463 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.167 2.425 8.795 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.017 -0.410 11.839 1.00 10.00 H new ATOM 413 N TYR A 27 -6.565 3.632 6.804 1.00 10.00 N ATOM 414 CA TYR A 27 -7.365 4.587 6.024 1.00 10.00 C ATOM 415 C TYR A 27 -6.558 5.466 5.059 1.00 10.00 C ATOM 416 O TYR A 27 -7.051 5.807 3.984 1.00 10.00 O ATOM 417 CB TYR A 27 -8.302 5.418 6.909 1.00 10.00 C ATOM 418 CG TYR A 27 -9.367 4.593 7.604 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.456 4.090 6.865 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.245 4.279 8.969 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.406 3.261 7.483 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.214 3.476 9.595 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.288 2.959 8.852 1.00 10.00 C ATOM 424 OH TYR A 27 -12.217 2.174 9.465 1.00 10.00 O ATOM 0 H TYR A 27 -6.753 2.668 6.529 1.00 10.00 H new ATOM 0 HA TYR A 27 -7.983 3.961 5.380 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.710 5.940 7.661 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.785 6.180 6.298 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.560 4.343 5.820 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -8.407 4.655 9.537 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.226 2.856 6.908 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -10.133 3.256 10.649 1.00 10.00 H new ATOM 0 HH TYR A 27 -11.982 2.066 10.410 1.00 10.00 H new ATOM 434 N LYS A 28 -5.329 5.841 5.417 1.00 10.00 N ATOM 435 CA LYS A 28 -4.396 6.431 4.465 1.00 10.00 C ATOM 436 C LYS A 28 -4.143 5.457 3.313 1.00 10.00 C ATOM 437 O LYS A 28 -4.310 4.247 3.478 1.00 10.00 O ATOM 438 CB LYS A 28 -3.100 6.849 5.184 1.00 10.00 C ATOM 439 CG LYS A 28 -3.002 8.343 5.491 1.00 10.00 C ATOM 440 CD LYS A 28 -4.271 8.954 6.080 1.00 10.00 C ATOM 441 CE LYS A 28 -4.611 8.576 7.522 1.00 10.00 C ATOM 442 NZ LYS A 28 -6.021 8.924 7.793 1.00 10.00 N ATOM 0 H LYS A 28 -4.959 5.745 6.363 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.827 7.335 4.034 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.021 6.293 6.118 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.248 6.560 4.568 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.179 8.504 6.188 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.751 8.874 4.573 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.183 10.039 6.025 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.111 8.669 5.447 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.450 7.509 7.679 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.954 9.103 8.214 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -6.084 9.443 8.692 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -6.386 9.520 7.023 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.587 8.054 7.855 1.00 10.00 H new ATOM 456 N VAL A 29 -3.744 6.003 2.160 1.00 10.00 N ATOM 457 CA VAL A 29 -3.444 5.281 0.935 1.00 10.00 C ATOM 458 C VAL A 29 -1.955 5.436 0.629 1.00 10.00 C ATOM 459 O VAL A 29 -1.391 6.517 0.815 1.00 10.00 O ATOM 460 CB VAL A 29 -4.313 5.796 -0.214 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.941 5.130 -1.534 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.776 5.435 0.021 1.00 10.00 C ATOM 0 H VAL A 29 -3.618 7.010 2.058 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.671 4.222 1.058 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.156 6.874 -0.256 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.577 5.518 -2.329 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.898 5.343 -1.767 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.082 4.052 -1.450 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.380 5.809 -0.806 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.878 4.352 0.084 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.117 5.886 0.953 1.00 10.00 H new ATOM 472 N TYR A 30 -1.338 4.332 0.201 1.00 10.00 N ATOM 473 CA TYR A 30 0.087 4.071 0.284 1.00 10.00 C ATOM 474 C TYR A 30 0.555 3.515 -1.060 1.00 10.00 C ATOM 475 O TYR A 30 0.133 2.417 -1.410 1.00 10.00 O ATOM 476 CB TYR A 30 0.260 3.033 1.404 1.00 10.00 C ATOM 477 CG TYR A 30 0.106 3.610 2.796 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.184 3.848 3.286 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.214 3.896 3.613 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.373 4.265 4.603 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.014 4.324 4.941 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.281 4.445 5.455 1.00 10.00 C ATOM 483 OH TYR A 30 -0.490 4.606 6.790 1.00 10.00 O ATOM 0 H TYR A 30 -1.850 3.564 -0.232 1.00 10.00 H new ATOM 0 HA TYR A 30 0.673 4.965 0.500 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.472 2.237 1.267 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.246 2.577 1.316 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.038 3.708 2.640 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.216 3.788 3.224 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.373 4.450 4.968 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.864 4.559 5.564 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.300 4.122 7.055 1.00 10.00 H new ATOM 493 N ASP A 31 1.400 4.247 -1.800 1.00 10.00 N ATOM 494 CA ASP A 31 1.964 3.806 -3.079 1.00 10.00 C ATOM 495 C ASP A 31 3.320 3.195 -2.805 1.00 10.00 C ATOM 496 O ASP A 31 4.129 3.849 -2.150 1.00 10.00 O ATOM 497 CB ASP A 31 2.212 4.985 -4.022 1.00 10.00 C ATOM 498 CG ASP A 31 2.549 4.560 -5.446 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.653 4.009 -5.689 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.729 4.840 -6.346 1.00 10.00 O ATOM 0 H ASP A 31 1.714 5.176 -1.520 1.00 10.00 H new ATOM 0 HA ASP A 31 1.261 3.109 -3.535 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.326 5.619 -4.040 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.029 5.590 -3.628 1.00 10.00 H new ATOM 505 N LEU A 32 3.579 1.985 -3.298 1.00 10.00 N ATOM 506 CA LEU A 32 4.884 1.369 -3.081 1.00 10.00 C ATOM 507 C LEU A 32 5.599 1.148 -4.405 1.00 10.00 C ATOM 508 O LEU A 32 6.599 1.812 -4.661 1.00 10.00 O ATOM 509 CB LEU A 32 4.809 0.098 -2.223 1.00 10.00 C ATOM 510 CG LEU A 32 3.609 0.022 -1.280 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.705 -1.300 -0.524 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.567 1.174 -0.279 1.00 10.00 C ATOM 0 H LEU A 32 2.920 1.424 -3.837 1.00 10.00 H new ATOM 0 HA LEU A 32 5.484 2.068 -2.497 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.787 -0.768 -2.885 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.721 0.023 -1.631 1.00 10.00 H new ATOM 0 HG LEU A 32 2.697 0.091 -1.873 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.862 -1.389 0.161 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.685 -2.127 -1.234 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.637 -1.329 0.041 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.693 1.066 0.364 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.470 1.159 0.331 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.508 2.121 -0.816 1.00 10.00 H new ATOM 524 N THR A 33 5.101 0.233 -5.242 1.00 10.00 N ATOM 525 CA THR A 33 5.437 0.099 -6.660 1.00 10.00 C ATOM 526 C THR A 33 6.944 -0.061 -6.933 1.00 10.00 C ATOM 527 O THR A 33 7.446 -1.163 -7.113 1.00 10.00 O ATOM 528 CB THR A 33 4.821 1.296 -7.396 1.00 10.00 C ATOM 529 OG1 THR A 33 3.552 1.602 -6.872 1.00 10.00 O ATOM 530 CG2 THR A 33 4.755 1.055 -8.905 1.00 10.00 C ATOM 0 H THR A 33 4.423 -0.464 -4.935 1.00 10.00 H new ATOM 0 HA THR A 33 5.015 -0.832 -7.038 1.00 10.00 H new ATOM 0 HB THR A 33 5.471 2.156 -7.236 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.625 2.368 -6.265 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.313 1.924 -9.393 1.00 10.00 H new ATOM 0 HG22 THR A 33 5.761 0.894 -9.292 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.144 0.175 -9.107 1.00 10.00 H new ATOM 538 N LYS A 34 7.672 1.052 -6.884 1.00 10.00 N ATOM 539 CA LYS A 34 9.116 1.172 -6.854 1.00 10.00 C ATOM 540 C LYS A 34 9.680 0.236 -5.768 1.00 10.00 C ATOM 541 O LYS A 34 10.791 -0.270 -5.885 1.00 10.00 O ATOM 542 CB LYS A 34 9.470 2.648 -6.534 1.00 10.00 C ATOM 543 CG LYS A 34 8.867 3.783 -7.408 1.00 10.00 C ATOM 544 CD LYS A 34 7.328 3.877 -7.355 1.00 10.00 C ATOM 545 CE LYS A 34 6.644 5.214 -7.677 1.00 10.00 C ATOM 546 NZ LYS A 34 5.164 5.139 -7.495 1.00 10.00 N ATOM 0 H LYS A 34 7.222 1.967 -6.863 1.00 10.00 H new ATOM 0 HA LYS A 34 9.549 0.891 -7.814 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.176 2.839 -5.502 1.00 10.00 H new ATOM 0 HB3 LYS A 34 10.555 2.742 -6.579 1.00 10.00 H new ATOM 0 HG2 LYS A 34 9.289 4.736 -7.087 1.00 10.00 H new ATOM 0 HG3 LYS A 34 9.174 3.631 -8.443 1.00 10.00 H new ATOM 0 HD2 LYS A 34 6.931 3.132 -8.044 1.00 10.00 H new ATOM 0 HD3 LYS A 34 7.016 3.583 -6.353 1.00 10.00 H new ATOM 0 HE2 LYS A 34 7.050 5.994 -7.033 1.00 10.00 H new ATOM 0 HE3 LYS A 34 6.870 5.499 -8.705 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 4.752 6.087 -7.606 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 4.758 4.500 -8.208 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 4.949 4.777 -6.544 1.00 10.00 H new ATOM 560 N PHE A 35 8.891 0.007 -4.713 1.00 10.00 N ATOM 561 CA PHE A 35 9.254 -0.774 -3.545 1.00 10.00 C ATOM 562 C PHE A 35 9.061 -2.265 -3.785 1.00 10.00 C ATOM 563 O PHE A 35 9.629 -3.082 -3.074 1.00 10.00 O ATOM 564 CB PHE A 35 8.316 -0.379 -2.404 1.00 10.00 C ATOM 565 CG PHE A 35 8.717 -0.918 -1.049 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.003 -0.667 -0.535 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.830 -1.743 -0.335 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.426 -1.305 0.641 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.252 -2.369 0.846 1.00 10.00 C ATOM 570 CZ PHE A 35 9.572 -2.200 1.300 1.00 10.00 C ATOM 0 H PHE A 35 7.944 0.380 -4.656 1.00 10.00 H new ATOM 0 HA PHE A 35 10.302 -0.581 -3.316 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.269 0.709 -2.349 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.311 -0.730 -2.638 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.664 0.017 -1.046 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.824 -1.894 -0.697 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.410 -1.106 1.039 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.563 -2.982 1.408 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.927 -2.758 2.154 1.00 10.00 H new ATOM 580 N LEU A 36 8.193 -2.629 -4.730 1.00 10.00 N ATOM 581 CA LEU A 36 7.734 -3.996 -4.914 1.00 10.00 C ATOM 582 C LEU A 36 8.916 -4.957 -5.053 1.00 10.00 C ATOM 583 O LEU A 36 8.904 -6.052 -4.496 1.00 10.00 O ATOM 584 CB LEU A 36 6.849 -4.053 -6.162 1.00 10.00 C ATOM 585 CG LEU A 36 5.473 -3.391 -6.057 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.881 -3.428 -7.472 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.507 -4.103 -5.101 1.00 10.00 C ATOM 0 H LEU A 36 7.787 -1.970 -5.395 1.00 10.00 H new ATOM 0 HA LEU A 36 7.161 -4.304 -4.039 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.390 -3.586 -6.985 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.704 -5.100 -6.429 1.00 10.00 H new ATOM 0 HG LEU A 36 5.600 -2.386 -5.655 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.893 -2.968 -7.465 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.532 -2.880 -8.153 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.797 -4.463 -7.804 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.555 -3.572 -5.083 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.346 -5.126 -5.442 1.00 10.00 H new ATOM 0 HD23 LEU A 36 4.933 -4.118 -4.098 1.00 10.00 H new ATOM 599 N GLU A 37 9.941 -4.514 -5.784 1.00 10.00 N ATOM 600 CA GLU A 37 11.189 -5.234 -5.965 1.00 10.00 C ATOM 601 C GLU A 37 11.940 -5.362 -4.631 1.00 10.00 C ATOM 602 O GLU A 37 12.401 -6.439 -4.265 1.00 10.00 O ATOM 603 CB GLU A 37 12.017 -4.477 -7.014 1.00 10.00 C ATOM 604 CG GLU A 37 13.079 -5.385 -7.636 1.00 10.00 C ATOM 605 CD GLU A 37 13.933 -4.656 -8.668 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.359 -3.812 -9.391 1.00 10.00 O ATOM 607 OE2 GLU A 37 15.144 -4.960 -8.719 1.00 10.00 O ATOM 0 H GLU A 37 9.919 -3.621 -6.276 1.00 10.00 H new ATOM 0 HA GLU A 37 11.000 -6.250 -6.313 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.359 -4.094 -7.794 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.497 -3.615 -6.550 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.722 -5.780 -6.849 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.592 -6.239 -8.108 1.00 10.00 H new ATOM 614 N GLU A 38 12.064 -4.239 -3.917 1.00 10.00 N ATOM 615 CA GLU A 38 12.771 -4.145 -2.642 1.00 10.00 C ATOM 616 C GLU A 38 12.146 -5.064 -1.586 1.00 10.00 C ATOM 617 O GLU A 38 12.847 -5.709 -0.807 1.00 10.00 O ATOM 618 CB GLU A 38 12.728 -2.684 -2.162 1.00 10.00 C ATOM 619 CG GLU A 38 13.796 -2.371 -1.105 1.00 10.00 C ATOM 620 CD GLU A 38 13.657 -0.950 -0.570 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.254 -0.072 -1.365 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.923 -0.773 0.637 1.00 10.00 O ATOM 0 H GLU A 38 11.665 -3.350 -4.219 1.00 10.00 H new ATOM 0 HA GLU A 38 13.803 -4.466 -2.786 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.865 -2.022 -3.017 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.742 -2.471 -1.749 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.712 -3.080 -0.281 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.787 -2.502 -1.539 1.00 10.00 H new ATOM 629 N HIS A 39 10.813 -5.061 -1.526 1.00 10.00 N ATOM 630 CA HIS A 39 10.016 -5.660 -0.473 1.00 10.00 C ATOM 631 C HIS A 39 10.460 -7.099 -0.168 1.00 10.00 C ATOM 632 O HIS A 39 10.356 -7.948 -1.050 1.00 10.00 O ATOM 633 CB HIS A 39 8.539 -5.632 -0.899 1.00 10.00 C ATOM 634 CG HIS A 39 7.617 -6.157 0.174 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.592 -7.070 0.017 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.623 -5.754 1.483 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.977 -7.157 1.209 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.572 -6.385 2.141 1.00 10.00 N ATOM 0 H HIS A 39 10.241 -4.619 -2.246 1.00 10.00 H new ATOM 0 HA HIS A 39 10.155 -5.085 0.443 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.256 -4.609 -1.148 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.414 -6.227 -1.804 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.350 -7.577 -0.834 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.324 -5.064 1.929 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.110 -7.772 1.398 1.00 10.00 H new ATOM 646 N PRO A 40 10.876 -7.426 1.069 1.00 10.00 N ATOM 647 CA PRO A 40 11.178 -8.797 1.468 1.00 10.00 C ATOM 648 C PRO A 40 10.033 -9.775 1.178 1.00 10.00 C ATOM 649 O PRO A 40 10.274 -10.905 0.767 1.00 10.00 O ATOM 650 CB PRO A 40 11.518 -8.730 2.959 1.00 10.00 C ATOM 651 CG PRO A 40 12.094 -7.321 3.098 1.00 10.00 C ATOM 652 CD PRO A 40 11.207 -6.512 2.152 1.00 10.00 C ATOM 0 HA PRO A 40 12.011 -9.190 0.885 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.636 -8.873 3.584 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.240 -9.495 3.246 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.034 -6.956 4.123 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.143 -7.280 2.806 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.309 -6.159 2.659 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.729 -5.631 1.779 1.00 10.00 H new ATOM 660 N GLY A 41 8.780 -9.342 1.365 1.00 10.00 N ATOM 661 CA GLY A 41 7.615 -10.149 1.023 1.00 10.00 C ATOM 662 C GLY A 41 7.433 -10.341 -0.491 1.00 10.00 C ATOM 663 O GLY A 41 6.609 -11.153 -0.900 1.00 10.00 O ATOM 0 H GLY A 41 8.552 -8.428 1.755 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.706 -11.126 1.498 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.722 -9.677 1.433 1.00 10.00 H new ATOM 667 N GLY A 42 8.156 -9.588 -1.327 1.00 10.00 N ATOM 668 CA GLY A 42 8.033 -9.619 -2.777 1.00 10.00 C ATOM 669 C GLY A 42 6.823 -8.829 -3.258 1.00 10.00 C ATOM 670 O GLY A 42 6.011 -8.354 -2.458 1.00 10.00 O ATOM 0 H GLY A 42 8.859 -8.925 -0.999 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.937 -9.210 -3.227 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.949 -10.653 -3.113 1.00 10.00 H new ATOM 674 N GLU A 43 6.730 -8.681 -4.582 1.00 10.00 N ATOM 675 CA GLU A 43 5.650 -7.967 -5.233 1.00 10.00 C ATOM 676 C GLU A 43 4.332 -8.697 -5.001 1.00 10.00 C ATOM 677 O GLU A 43 3.406 -8.105 -4.457 1.00 10.00 O ATOM 678 CB GLU A 43 5.965 -7.778 -6.722 1.00 10.00 C ATOM 679 CG GLU A 43 4.753 -7.236 -7.490 1.00 10.00 C ATOM 680 CD GLU A 43 5.060 -6.931 -8.949 1.00 10.00 C ATOM 681 OE1 GLU A 43 6.141 -6.363 -9.203 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.182 -7.269 -9.777 1.00 10.00 O ATOM 0 H GLU A 43 7.417 -9.062 -5.233 1.00 10.00 H new ATOM 0 HA GLU A 43 5.549 -6.972 -4.800 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.804 -7.091 -6.833 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.274 -8.730 -7.153 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.943 -7.964 -7.440 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.397 -6.329 -7.002 1.00 10.00 H new ATOM 689 N GLU A 44 4.247 -9.960 -5.434 1.00 10.00 N ATOM 690 CA GLU A 44 3.027 -10.756 -5.486 1.00 10.00 C ATOM 691 C GLU A 44 2.047 -10.426 -4.361 1.00 10.00 C ATOM 692 O GLU A 44 0.939 -9.964 -4.617 1.00 10.00 O ATOM 693 CB GLU A 44 3.373 -12.258 -5.473 1.00 10.00 C ATOM 694 CG GLU A 44 4.417 -12.666 -6.521 1.00 10.00 C ATOM 695 CD GLU A 44 4.019 -12.179 -7.900 1.00 10.00 C ATOM 696 OE1 GLU A 44 3.057 -12.744 -8.460 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.584 -11.157 -8.338 1.00 10.00 O ATOM 0 H GLU A 44 5.063 -10.471 -5.770 1.00 10.00 H new ATOM 0 HA GLU A 44 2.525 -10.502 -6.419 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.742 -12.527 -4.483 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.462 -12.832 -5.640 1.00 10.00 H new ATOM 0 HG2 GLU A 44 5.389 -12.253 -6.252 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.523 -13.751 -6.531 1.00 10.00 H new ATOM 704 N VAL A 45 2.473 -10.633 -3.114 1.00 10.00 N ATOM 705 CA VAL A 45 1.631 -10.455 -1.937 1.00 10.00 C ATOM 706 C VAL A 45 1.065 -9.035 -1.879 1.00 10.00 C ATOM 707 O VAL A 45 -0.097 -8.788 -1.556 1.00 10.00 O ATOM 708 CB VAL A 45 2.431 -10.790 -0.649 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.384 -11.973 -0.841 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.330 -9.655 -0.122 1.00 10.00 C ATOM 0 H VAL A 45 3.423 -10.932 -2.894 1.00 10.00 H new ATOM 0 HA VAL A 45 0.789 -11.143 -2.007 1.00 10.00 H new ATOM 0 HB VAL A 45 1.631 -10.998 0.061 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.918 -12.165 0.090 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.813 -12.858 -1.121 1.00 10.00 H new ATOM 0 HG13 VAL A 45 4.100 -11.739 -1.629 1.00 10.00 H new ATOM 0 HG21 VAL A 45 3.845 -9.988 0.779 1.00 10.00 H new ATOM 0 HG22 VAL A 45 4.064 -9.389 -0.883 1.00 10.00 H new ATOM 0 HG23 VAL A 45 2.717 -8.784 0.111 1.00 10.00 H new ATOM 720 N LEU A 46 1.942 -8.091 -2.192 1.00 10.00 N ATOM 721 CA LEU A 46 1.723 -6.672 -2.099 1.00 10.00 C ATOM 722 C LEU A 46 0.754 -6.269 -3.209 1.00 10.00 C ATOM 723 O LEU A 46 -0.177 -5.506 -2.975 1.00 10.00 O ATOM 724 CB LEU A 46 3.114 -6.019 -2.206 1.00 10.00 C ATOM 725 CG LEU A 46 3.347 -4.735 -1.404 1.00 10.00 C ATOM 726 CD1 LEU A 46 3.025 -4.910 0.083 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.834 -4.346 -1.528 1.00 10.00 C ATOM 0 H LEU A 46 2.875 -8.318 -2.536 1.00 10.00 H new ATOM 0 HA LEU A 46 1.266 -6.348 -1.164 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.857 -6.753 -1.893 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.305 -5.801 -3.257 1.00 10.00 H new ATOM 0 HG LEU A 46 2.687 -3.967 -1.807 1.00 10.00 H new ATOM 0 HD11 LEU A 46 3.206 -3.972 0.607 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.979 -5.193 0.198 1.00 10.00 H new ATOM 0 HD13 LEU A 46 3.660 -5.689 0.504 1.00 10.00 H new ATOM 0 HD21 LEU A 46 5.020 -3.433 -0.963 1.00 10.00 H new ATOM 0 HD22 LEU A 46 5.455 -5.150 -1.132 1.00 10.00 H new ATOM 0 HD23 LEU A 46 5.080 -4.180 -2.577 1.00 10.00 H new ATOM 739 N ARG A 47 0.937 -6.841 -4.401 1.00 10.00 N ATOM 740 CA ARG A 47 0.114 -6.583 -5.572 1.00 10.00 C ATOM 741 C ARG A 47 -1.288 -7.141 -5.338 1.00 10.00 C ATOM 742 O ARG A 47 -2.286 -6.507 -5.665 1.00 10.00 O ATOM 743 CB ARG A 47 0.760 -7.237 -6.801 1.00 10.00 C ATOM 744 CG ARG A 47 0.136 -6.694 -8.096 1.00 10.00 C ATOM 745 CD ARG A 47 0.772 -7.347 -9.328 1.00 10.00 C ATOM 746 NE ARG A 47 0.563 -8.805 -9.313 1.00 10.00 N ATOM 747 CZ ARG A 47 1.506 -9.760 -9.224 1.00 10.00 C ATOM 748 NH1 ARG A 47 2.805 -9.485 -9.370 1.00 10.00 N ATOM 749 NH2 ARG A 47 1.121 -11.015 -8.972 1.00 10.00 N ATOM 0 H ARG A 47 1.683 -7.514 -4.577 1.00 10.00 H new ATOM 0 HA ARG A 47 0.038 -5.510 -5.747 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.833 -7.045 -6.800 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.630 -8.318 -6.754 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.938 -6.883 -8.093 1.00 10.00 H new ATOM 0 HG3 ARG A 47 0.270 -5.613 -8.143 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.340 -6.922 -10.234 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.840 -7.128 -9.351 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.403 -9.126 -9.377 1.00 10.00 H new ATOM 0 HH11 ARG A 47 3.106 -8.528 -9.555 1.00 10.00 H new ATOM 0 HH12 ARG A 47 3.496 -10.232 -9.297 1.00 10.00 H new ATOM 0 HH21 ARG A 47 0.131 -11.230 -8.852 1.00 10.00 H new ATOM 0 HH22 ARG A 47 1.817 -11.757 -8.900 1.00 10.00 H new ATOM 763 N GLU A 48 -1.337 -8.345 -4.772 1.00 10.00 N ATOM 764 CA GLU A 48 -2.547 -9.069 -4.443 1.00 10.00 C ATOM 765 C GLU A 48 -3.408 -8.246 -3.476 1.00 10.00 C ATOM 766 O GLU A 48 -4.603 -8.074 -3.703 1.00 10.00 O ATOM 767 CB GLU A 48 -2.107 -10.420 -3.865 1.00 10.00 C ATOM 768 CG GLU A 48 -3.262 -11.398 -3.604 1.00 10.00 C ATOM 769 CD GLU A 48 -3.895 -11.942 -4.885 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.242 -11.840 -5.947 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.018 -12.477 -4.769 1.00 10.00 O ATOM 0 H GLU A 48 -0.492 -8.859 -4.522 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.176 -9.243 -5.316 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.401 -10.884 -4.553 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.574 -10.247 -2.930 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.895 -12.232 -3.006 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.028 -10.895 -3.013 1.00 10.00 H new ATOM 778 N GLN A 49 -2.808 -7.712 -2.403 1.00 10.00 N ATOM 779 CA GLN A 49 -3.534 -6.819 -1.503 1.00 10.00 C ATOM 780 C GLN A 49 -3.832 -5.478 -2.177 1.00 10.00 C ATOM 781 O GLN A 49 -4.835 -4.840 -1.864 1.00 10.00 O ATOM 782 CB GLN A 49 -2.730 -6.549 -0.227 1.00 10.00 C ATOM 783 CG GLN A 49 -2.587 -7.749 0.715 1.00 10.00 C ATOM 784 CD GLN A 49 -3.874 -8.247 1.373 1.00 10.00 C ATOM 785 OE1 GLN A 49 -3.931 -9.401 1.785 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.897 -7.416 1.553 1.00 10.00 N ATOM 0 H GLN A 49 -1.836 -7.882 -2.143 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.469 -7.318 -1.250 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.734 -6.207 -0.509 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.205 -5.733 0.318 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.147 -8.574 0.155 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.880 -7.485 1.501 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.843 -6.458 1.208 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.736 -7.737 2.036 1.00 10.00 H new ATOM 795 N ALA A 50 -2.912 -5.005 -3.024 1.00 10.00 N ATOM 796 CA ALA A 50 -2.983 -3.664 -3.579 1.00 10.00 C ATOM 797 C ALA A 50 -4.306 -3.387 -4.288 1.00 10.00 C ATOM 798 O ALA A 50 -4.944 -4.270 -4.861 1.00 10.00 O ATOM 799 CB ALA A 50 -1.810 -3.376 -4.514 1.00 10.00 C ATOM 0 H ALA A 50 -2.104 -5.543 -3.338 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.922 -2.986 -2.727 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.899 -2.364 -4.909 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.874 -3.470 -3.963 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.818 -4.089 -5.339 1.00 10.00 H new ATOM 805 N GLY A 51 -4.705 -2.119 -4.246 1.00 10.00 N ATOM 806 CA GLY A 51 -6.029 -1.668 -4.598 1.00 10.00 C ATOM 807 C GLY A 51 -7.054 -2.405 -3.765 1.00 10.00 C ATOM 808 O GLY A 51 -8.076 -2.890 -4.240 1.00 10.00 O ATOM 0 H GLY A 51 -4.089 -1.360 -3.955 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.115 -0.594 -4.432 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.214 -1.842 -5.658 1.00 10.00 H new ATOM 812 N GLY A 52 -6.769 -2.385 -2.468 1.00 10.00 N ATOM 813 CA GLY A 52 -7.679 -2.718 -1.421 1.00 10.00 C ATOM 814 C GLY A 52 -6.950 -2.409 -0.126 1.00 10.00 C ATOM 815 O GLY A 52 -5.890 -1.771 -0.102 1.00 10.00 O ATOM 0 H GLY A 52 -5.847 -2.121 -2.120 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.597 -2.136 -1.501 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.963 -3.769 -1.469 1.00 10.00 H new ATOM 819 N ASP A 53 -7.548 -2.887 0.951 1.00 10.00 N ATOM 820 CA ASP A 53 -6.934 -2.873 2.262 1.00 10.00 C ATOM 821 C ASP A 53 -5.667 -3.720 2.258 1.00 10.00 C ATOM 822 O ASP A 53 -5.604 -4.764 1.609 1.00 10.00 O ATOM 823 CB ASP A 53 -7.894 -3.389 3.341 1.00 10.00 C ATOM 824 CG ASP A 53 -7.165 -3.400 4.677 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.781 -2.292 5.108 1.00 10.00 O ATOM 826 OD2 ASP A 53 -6.840 -4.491 5.187 1.00 10.00 O ATOM 0 H ASP A 53 -8.481 -3.299 0.937 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.683 -1.839 2.497 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.777 -2.752 3.397 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.240 -4.392 3.091 1.00 10.00 H new ATOM 831 N ALA A 54 -4.676 -3.293 3.036 1.00 10.00 N ATOM 832 CA ALA A 54 -3.735 -4.230 3.620 1.00 10.00 C ATOM 833 C ALA A 54 -3.392 -3.851 5.062 1.00 10.00 C ATOM 834 O ALA A 54 -2.349 -4.272 5.555 1.00 10.00 O ATOM 835 CB ALA A 54 -2.489 -4.309 2.741 1.00 10.00 C ATOM 0 H ALA A 54 -4.509 -2.315 3.272 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.194 -5.218 3.662 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.780 -5.012 3.177 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.768 -4.647 1.743 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.028 -3.324 2.674 1.00 10.00 H new ATOM 841 N THR A 55 -4.229 -3.064 5.747 1.00 10.00 N ATOM 842 CA THR A 55 -3.965 -2.633 7.108 1.00 10.00 C ATOM 843 C THR A 55 -3.790 -3.850 8.013 1.00 10.00 C ATOM 844 O THR A 55 -2.805 -3.939 8.748 1.00 10.00 O ATOM 845 CB THR A 55 -5.099 -1.739 7.646 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.467 -0.728 6.732 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.633 -1.050 8.931 1.00 10.00 C ATOM 0 H THR A 55 -5.107 -2.712 5.365 1.00 10.00 H new ATOM 0 HA THR A 55 -3.047 -2.046 7.103 1.00 10.00 H new ATOM 0 HB THR A 55 -5.959 -2.386 7.819 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.251 -1.018 6.221 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.433 -0.416 9.315 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.378 -1.804 9.676 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.756 -0.439 8.719 1.00 10.00 H new ATOM 855 N GLU A 56 -4.749 -4.782 7.957 1.00 10.00 N ATOM 856 CA GLU A 56 -4.739 -5.962 8.786 1.00 10.00 C ATOM 857 C GLU A 56 -3.483 -6.744 8.447 1.00 10.00 C ATOM 858 O GLU A 56 -2.648 -6.928 9.312 1.00 10.00 O ATOM 859 CB GLU A 56 -6.022 -6.776 8.581 1.00 10.00 C ATOM 860 CG GLU A 56 -7.264 -5.948 8.947 1.00 10.00 C ATOM 861 CD GLU A 56 -8.533 -6.794 8.992 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.509 -7.902 8.414 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.503 -6.315 9.617 1.00 10.00 O ATOM 0 H GLU A 56 -5.550 -4.726 7.329 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.721 -5.703 9.845 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.089 -7.100 7.542 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.987 -7.677 9.194 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.110 -5.476 9.918 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.390 -5.146 8.219 1.00 10.00 H new ATOM 870 N ASN A 57 -3.310 -7.133 7.184 1.00 10.00 N ATOM 871 CA ASN A 57 -2.170 -7.934 6.745 1.00 10.00 C ATOM 872 C ASN A 57 -0.825 -7.302 7.163 1.00 10.00 C ATOM 873 O ASN A 57 0.086 -7.973 7.646 1.00 10.00 O ATOM 874 CB ASN A 57 -2.281 -8.158 5.230 1.00 10.00 C ATOM 875 CG ASN A 57 -1.508 -9.390 4.773 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.536 -9.798 5.396 1.00 10.00 O ATOM 877 ND2 ASN A 57 -1.935 -10.017 3.680 1.00 10.00 N ATOM 0 H ASN A 57 -3.960 -6.900 6.434 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.192 -8.904 7.241 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.330 -8.267 4.956 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.905 -7.280 4.706 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.451 -10.851 3.349 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.746 -9.663 3.173 1.00 10.00 H new ATOM 884 N PHE A 58 -0.712 -5.980 7.017 1.00 10.00 N ATOM 885 CA PHE A 58 0.456 -5.216 7.432 1.00 10.00 C ATOM 886 C PHE A 58 0.727 -5.377 8.935 1.00 10.00 C ATOM 887 O PHE A 58 1.840 -5.739 9.325 1.00 10.00 O ATOM 888 CB PHE A 58 0.252 -3.745 7.033 1.00 10.00 C ATOM 889 CG PHE A 58 1.408 -2.802 7.306 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.625 -2.974 6.622 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.200 -1.641 8.074 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.640 -2.008 6.730 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.201 -0.656 8.145 1.00 10.00 C ATOM 894 CZ PHE A 58 3.434 -0.853 7.502 1.00 10.00 C ATOM 0 H PHE A 58 -1.444 -5.405 6.600 1.00 10.00 H new ATOM 0 HA PHE A 58 1.342 -5.598 6.925 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.027 -3.709 5.967 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.626 -3.368 7.557 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.780 -3.851 6.012 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.271 -1.507 8.609 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.580 -2.154 6.219 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.021 0.255 8.696 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.220 -0.119 7.601 1.00 10.00 H new ATOM 904 N GLU A 59 -0.273 -5.103 9.781 1.00 10.00 N ATOM 905 CA GLU A 59 -0.102 -5.144 11.231 1.00 10.00 C ATOM 906 C GLU A 59 0.151 -6.573 11.710 1.00 10.00 C ATOM 907 O GLU A 59 1.076 -6.844 12.467 1.00 10.00 O ATOM 908 CB GLU A 59 -1.346 -4.566 11.919 1.00 10.00 C ATOM 909 CG GLU A 59 -1.052 -4.181 13.377 1.00 10.00 C ATOM 910 CD GLU A 59 -0.116 -2.989 13.444 1.00 10.00 C ATOM 911 OE1 GLU A 59 -0.620 -1.856 13.299 1.00 10.00 O ATOM 912 OE2 GLU A 59 1.116 -3.183 13.500 1.00 10.00 O ATOM 0 H GLU A 59 -1.214 -4.849 9.480 1.00 10.00 H new ATOM 0 HA GLU A 59 0.766 -4.540 11.494 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.692 -3.689 11.372 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -2.153 -5.298 11.890 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.984 -3.946 13.890 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -0.606 -5.028 13.898 1.00 10.00 H new ATOM 919 N ASP A 60 -0.711 -7.471 11.243 1.00 10.00 N ATOM 920 CA ASP A 60 -0.653 -8.922 11.346 1.00 10.00 C ATOM 921 C ASP A 60 0.787 -9.422 11.191 1.00 10.00 C ATOM 922 O ASP A 60 1.329 -10.065 12.089 1.00 10.00 O ATOM 923 CB ASP A 60 -1.565 -9.505 10.258 1.00 10.00 C ATOM 924 CG ASP A 60 -1.451 -11.017 10.195 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.162 -11.684 10.974 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.634 -11.470 9.362 1.00 10.00 O ATOM 0 H ASP A 60 -1.544 -7.172 10.736 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.994 -9.246 12.329 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.599 -9.224 10.458 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.300 -9.078 9.291 1.00 10.00 H new ATOM 931 N HIS A 61 1.439 -9.065 10.080 1.00 10.00 N ATOM 932 CA HIS A 61 2.824 -9.445 9.807 1.00 10.00 C ATOM 933 C HIS A 61 3.862 -8.674 10.646 1.00 10.00 C ATOM 934 O HIS A 61 5.060 -8.798 10.402 1.00 10.00 O ATOM 935 CB HIS A 61 3.088 -9.288 8.307 1.00 10.00 C ATOM 936 CG HIS A 61 2.534 -10.412 7.470 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.309 -11.032 7.593 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.218 -11.055 6.478 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.257 -12.002 6.665 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.400 -12.059 5.958 1.00 10.00 N ATOM 0 H HIS A 61 1.016 -8.501 9.342 1.00 10.00 H new ATOM 0 HA HIS A 61 2.947 -10.486 10.107 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.654 -8.347 7.968 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.163 -9.221 8.142 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.578 -10.798 8.264 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.222 -10.825 6.151 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.408 -12.651 6.507 1.00 10.00 H new ATOM 948 N GLY A 62 3.436 -7.894 11.641 1.00 10.00 N ATOM 949 CA GLY A 62 4.303 -7.226 12.599 1.00 10.00 C ATOM 950 C GLY A 62 5.260 -6.242 11.936 1.00 10.00 C ATOM 951 O GLY A 62 6.422 -6.158 12.330 1.00 10.00 O ATOM 0 H GLY A 62 2.446 -7.707 11.803 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.691 -6.696 13.329 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.878 -7.973 13.146 1.00 10.00 H new ATOM 955 N HIS A 63 4.783 -5.488 10.940 1.00 10.00 N ATOM 956 CA HIS A 63 5.654 -4.589 10.196 1.00 10.00 C ATOM 957 C HIS A 63 6.257 -3.508 11.091 1.00 10.00 C ATOM 958 O HIS A 63 5.533 -2.776 11.781 1.00 10.00 O ATOM 959 CB HIS A 63 4.928 -3.995 8.999 1.00 10.00 C ATOM 960 CG HIS A 63 4.915 -4.957 7.845 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.008 -5.965 7.633 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.775 -4.937 6.784 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.279 -6.501 6.430 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.347 -5.902 5.870 1.00 10.00 N ATOM 0 H HIS A 63 3.809 -5.486 10.637 1.00 10.00 H new ATOM 0 HA HIS A 63 6.489 -5.179 9.816 1.00 10.00 H new ATOM 0 HB2 HIS A 63 3.905 -3.743 9.278 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.414 -3.067 8.698 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.266 -6.254 8.270 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.633 -4.290 6.672 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.717 -7.303 5.975 1.00 10.00 H new ATOM 972 N SER A 64 7.593 -3.448 11.067 1.00 10.00 N ATOM 973 CA SER A 64 8.418 -2.783 12.057 1.00 10.00 C ATOM 974 C SER A 64 8.489 -1.272 11.832 1.00 10.00 C ATOM 975 O SER A 64 7.842 -0.720 10.942 1.00 10.00 O ATOM 976 CB SER A 64 9.816 -3.417 12.044 1.00 10.00 C ATOM 977 OG SER A 64 10.520 -3.053 13.219 1.00 10.00 O ATOM 0 H SER A 64 8.142 -3.881 10.324 1.00 10.00 H new ATOM 0 HA SER A 64 7.964 -2.919 13.038 1.00 10.00 H new ATOM 0 HB2 SER A 64 9.733 -4.502 11.981 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.366 -3.088 11.163 1.00 10.00 H new ATOM 0 HG SER A 64 11.257 -2.450 12.986 1.00 10.00 H new ATOM 983 N THR A 65 9.299 -0.604 12.655 1.00 10.00 N ATOM 984 CA THR A 65 9.446 0.840 12.697 1.00 10.00 C ATOM 985 C THR A 65 9.794 1.385 11.324 1.00 10.00 C ATOM 986 O THR A 65 9.060 2.191 10.780 1.00 10.00 O ATOM 987 CB THR A 65 10.538 1.192 13.722 1.00 10.00 C ATOM 988 OG1 THR A 65 11.590 0.240 13.674 1.00 10.00 O ATOM 989 CG2 THR A 65 9.952 1.155 15.136 1.00 10.00 C ATOM 0 H THR A 65 9.892 -1.080 13.335 1.00 10.00 H new ATOM 0 HA THR A 65 8.503 1.297 12.998 1.00 10.00 H new ATOM 0 HB THR A 65 10.916 2.186 13.482 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.202 0.465 12.942 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.729 1.405 15.858 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.140 1.878 15.212 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.570 0.156 15.345 1.00 10.00 H new ATOM 997 N ASP A 66 10.903 0.953 10.748 1.00 10.00 N ATOM 998 CA ASP A 66 11.454 1.509 9.526 1.00 10.00 C ATOM 999 C ASP A 66 10.512 1.239 8.348 1.00 10.00 C ATOM 1000 O ASP A 66 10.403 2.054 7.436 1.00 10.00 O ATOM 1001 CB ASP A 66 12.851 0.900 9.334 1.00 10.00 C ATOM 1002 CG ASP A 66 13.738 1.083 10.568 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.306 0.616 11.654 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.816 1.692 10.414 1.00 10.00 O ATOM 0 H ASP A 66 11.458 0.186 11.128 1.00 10.00 H new ATOM 0 HA ASP A 66 11.550 2.593 9.585 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.754 -0.163 9.113 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.331 1.363 8.472 1.00 10.00 H new ATOM 1009 N ALA A 67 9.775 0.124 8.388 1.00 10.00 N ATOM 1010 CA ALA A 67 8.704 -0.163 7.453 1.00 10.00 C ATOM 1011 C ALA A 67 7.572 0.844 7.654 1.00 10.00 C ATOM 1012 O ALA A 67 6.998 1.345 6.691 1.00 10.00 O ATOM 1013 CB ALA A 67 8.210 -1.603 7.640 1.00 10.00 C ATOM 0 H ALA A 67 9.915 -0.609 9.084 1.00 10.00 H new ATOM 0 HA ALA A 67 9.073 -0.070 6.432 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.406 -1.807 6.933 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.033 -2.296 7.463 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.840 -1.731 8.657 1.00 10.00 H new ATOM 1019 N ARG A 68 7.260 1.152 8.914 1.00 10.00 N ATOM 1020 CA ARG A 68 6.357 2.224 9.309 1.00 10.00 C ATOM 1021 C ARG A 68 6.819 3.565 8.718 1.00 10.00 C ATOM 1022 O ARG A 68 6.076 4.203 7.982 1.00 10.00 O ATOM 1023 CB ARG A 68 6.234 2.255 10.848 1.00 10.00 C ATOM 1024 CG ARG A 68 4.800 2.008 11.310 1.00 10.00 C ATOM 1025 CD ARG A 68 4.496 0.503 11.262 1.00 10.00 C ATOM 1026 NE ARG A 68 3.051 0.285 11.119 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.337 -0.731 11.626 1.00 10.00 C ATOM 1028 NH1 ARG A 68 2.937 -1.800 12.164 1.00 10.00 N ATOM 1029 NH2 ARG A 68 1.003 -0.632 11.603 1.00 10.00 N ATOM 0 H ARG A 68 7.644 0.643 9.710 1.00 10.00 H new ATOM 0 HA ARG A 68 5.361 2.039 8.906 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.890 1.499 11.280 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.574 3.222 11.220 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.664 2.385 12.324 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.103 2.551 10.672 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.025 0.043 10.427 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.856 0.022 12.171 1.00 10.00 H new ATOM 0 HE ARG A 68 2.536 0.979 10.577 1.00 10.00 H new ATOM 0 HH11 ARG A 68 3.955 -1.852 12.194 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.376 -2.562 12.544 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.560 0.198 11.208 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.429 -1.386 11.980 1.00 10.00 H new ATOM 1043 N GLU A 69 8.050 3.997 8.998 1.00 10.00 N ATOM 1044 CA GLU A 69 8.666 5.185 8.422 1.00 10.00 C ATOM 1045 C GLU A 69 8.483 5.196 6.902 1.00 10.00 C ATOM 1046 O GLU A 69 8.006 6.171 6.314 1.00 10.00 O ATOM 1047 CB GLU A 69 10.154 5.208 8.809 1.00 10.00 C ATOM 1048 CG GLU A 69 10.405 5.261 10.323 1.00 10.00 C ATOM 1049 CD GLU A 69 9.611 6.347 11.028 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.559 7.487 10.513 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.947 6.048 12.047 1.00 10.00 O ATOM 0 H GLU A 69 8.662 3.511 9.654 1.00 10.00 H new ATOM 0 HA GLU A 69 8.185 6.082 8.813 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.639 4.321 8.402 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.627 6.072 8.342 1.00 10.00 H new ATOM 0 HG2 GLU A 69 10.152 4.295 10.760 1.00 10.00 H new ATOM 0 HG3 GLU A 69 11.468 5.424 10.502 1.00 10.00 H new ATOM 1058 N LEU A 70 8.823 4.076 6.264 1.00 10.00 N ATOM 1059 CA LEU A 70 8.579 3.910 4.843 1.00 10.00 C ATOM 1060 C LEU A 70 7.105 4.148 4.498 1.00 10.00 C ATOM 1061 O LEU A 70 6.799 4.851 3.542 1.00 10.00 O ATOM 1062 CB LEU A 70 9.045 2.533 4.332 1.00 10.00 C ATOM 1063 CG LEU A 70 10.201 2.594 3.323 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.089 3.765 2.336 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.535 2.662 4.067 1.00 10.00 C ATOM 0 H LEU A 70 9.267 3.275 6.713 1.00 10.00 H new ATOM 0 HA LEU A 70 9.174 4.666 4.331 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.353 1.927 5.184 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.199 2.025 3.868 1.00 10.00 H new ATOM 0 HG LEU A 70 10.145 1.682 2.728 1.00 10.00 H new ATOM 0 HD11 LEU A 70 10.938 3.747 1.653 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.164 3.674 1.767 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.086 4.706 2.886 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.352 2.705 3.346 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.557 3.553 4.694 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.649 1.776 4.692 1.00 10.00 H new ATOM 1077 N SER A 71 6.176 3.597 5.276 1.00 10.00 N ATOM 1078 CA SER A 71 4.759 3.752 5.005 1.00 10.00 C ATOM 1079 C SER A 71 4.379 5.232 5.034 1.00 10.00 C ATOM 1080 O SER A 71 3.670 5.691 4.141 1.00 10.00 O ATOM 1081 CB SER A 71 3.920 2.825 5.906 1.00 10.00 C ATOM 1082 OG SER A 71 3.539 3.422 7.127 1.00 10.00 O ATOM 0 H SER A 71 6.386 3.037 6.102 1.00 10.00 H new ATOM 0 HA SER A 71 4.524 3.419 3.994 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.025 2.519 5.365 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.491 1.920 6.115 1.00 10.00 H new ATOM 0 HG SER A 71 4.334 3.766 7.585 1.00 10.00 H new ATOM 1088 N LYS A 72 4.919 6.002 5.982 1.00 10.00 N ATOM 1089 CA LYS A 72 4.697 7.447 6.007 1.00 10.00 C ATOM 1090 C LYS A 72 5.122 8.028 4.661 1.00 10.00 C ATOM 1091 O LYS A 72 4.359 8.707 3.981 1.00 10.00 O ATOM 1092 CB LYS A 72 5.489 8.143 7.124 1.00 10.00 C ATOM 1093 CG LYS A 72 5.303 7.495 8.494 1.00 10.00 C ATOM 1094 CD LYS A 72 6.137 8.256 9.533 1.00 10.00 C ATOM 1095 CE LYS A 72 6.239 7.464 10.844 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.319 7.980 11.705 1.00 10.00 N ATOM 0 H LYS A 72 5.509 5.651 6.737 1.00 10.00 H new ATOM 0 HA LYS A 72 3.638 7.620 6.199 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.548 8.135 6.867 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.183 9.188 7.180 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.250 7.509 8.775 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.610 6.450 8.459 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.136 8.442 9.138 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.685 9.229 9.726 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.290 7.518 11.377 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.421 6.412 10.622 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.636 7.230 12.352 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 8.117 8.288 11.114 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.967 8.787 12.258 1.00 10.00 H new ATOM 1110 N THR A 73 6.355 7.702 4.283 1.00 10.00 N ATOM 1111 CA THR A 73 6.986 8.120 3.038 1.00 10.00 C ATOM 1112 C THR A 73 6.115 7.749 1.828 1.00 10.00 C ATOM 1113 O THR A 73 6.053 8.496 0.854 1.00 10.00 O ATOM 1114 CB THR A 73 8.400 7.513 2.956 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.079 7.679 4.189 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.248 8.166 1.865 1.00 10.00 C ATOM 0 H THR A 73 6.963 7.118 4.857 1.00 10.00 H new ATOM 0 HA THR A 73 7.083 9.206 3.022 1.00 10.00 H new ATOM 0 HB THR A 73 8.269 6.457 2.720 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.756 7.015 4.833 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.235 7.704 1.846 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.765 8.029 0.898 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.349 9.231 2.072 1.00 10.00 H new ATOM 1124 N PHE A 74 5.437 6.601 1.890 1.00 10.00 N ATOM 1125 CA PHE A 74 4.595 6.085 0.822 1.00 10.00 C ATOM 1126 C PHE A 74 3.194 6.700 0.803 1.00 10.00 C ATOM 1127 O PHE A 74 2.459 6.447 -0.154 1.00 10.00 O ATOM 1128 CB PHE A 74 4.474 4.565 0.963 1.00 10.00 C ATOM 1129 CG PHE A 74 5.754 3.752 0.873 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.794 4.113 -0.010 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.810 2.509 1.529 1.00 10.00 C ATOM 1132 CE1 PHE A 74 7.920 3.282 -0.150 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.864 1.622 1.269 1.00 10.00 C ATOM 1134 CZ PHE A 74 7.975 2.060 0.540 1.00 10.00 C ATOM 0 H PHE A 74 5.463 5.993 2.708 1.00 10.00 H new ATOM 0 HA PHE A 74 5.075 6.357 -0.118 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.006 4.352 1.924 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.793 4.208 0.191 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.725 5.028 -0.579 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.039 2.237 2.235 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.740 3.583 -0.786 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.819 0.605 1.630 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.872 1.460 0.508 1.00 10.00 H new ATOM 1144 N ILE A 75 2.786 7.449 1.837 1.00 10.00 N ATOM 1145 CA ILE A 75 1.463 8.084 1.822 1.00 10.00 C ATOM 1146 C ILE A 75 1.286 8.968 0.586 1.00 10.00 C ATOM 1147 O ILE A 75 2.144 9.786 0.262 1.00 10.00 O ATOM 1148 CB ILE A 75 1.159 8.867 3.114 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.829 7.845 4.205 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.038 9.823 2.965 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.912 8.425 5.620 1.00 10.00 C ATOM 0 H ILE A 75 3.339 7.627 2.676 1.00 10.00 H new ATOM 0 HA ILE A 75 0.734 7.275 1.772 1.00 10.00 H new ATOM 0 HB ILE A 75 2.031 9.474 3.358 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.175 7.456 4.037 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.515 7.002 4.124 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.205 10.347 3.906 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.171 10.548 2.178 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.929 9.252 2.705 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.667 7.650 6.346 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.923 8.789 5.805 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.206 9.250 5.717 1.00 10.00 H new ATOM 1163 N ILE A 76 0.137 8.817 -0.077 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.217 9.549 -1.289 1.00 10.00 C ATOM 1165 C ILE A 76 -1.636 10.125 -1.240 1.00 10.00 C ATOM 1166 O ILE A 76 -2.004 10.882 -2.142 1.00 10.00 O ATOM 1167 CB ILE A 76 -0.078 8.615 -2.504 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.715 7.251 -2.180 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.394 8.470 -2.911 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.111 6.442 -3.410 1.00 10.00 C ATOM 0 H ILE A 76 -0.588 8.166 0.224 1.00 10.00 H new ATOM 0 HA ILE A 76 0.467 10.394 -1.373 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.605 9.047 -3.354 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.014 6.667 -1.584 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.600 7.412 -1.564 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.470 7.806 -3.772 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.798 9.448 -3.171 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.962 8.053 -2.080 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.552 5.496 -3.097 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.838 7.004 -3.997 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.227 6.247 -4.017 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.450 9.750 -0.248 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.897 9.931 -0.320 1.00 10.00 C ATOM 1184 C GLY A 77 -4.536 9.339 0.920 1.00 10.00 C ATOM 1185 O GLY A 77 -3.826 8.874 1.813 1.00 10.00 O ATOM 0 H GLY A 77 -2.126 9.317 0.617 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.139 10.991 -0.398 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.292 9.447 -1.213 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.869 9.308 0.938 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.628 8.540 1.897 1.00 10.00 C ATOM 1191 C GLU A 78 -7.832 7.959 1.177 1.00 10.00 C ATOM 1192 O GLU A 78 -8.273 8.560 0.200 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.160 9.449 3.017 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.211 10.521 3.567 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.811 11.170 4.815 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -6.677 10.562 5.903 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -7.405 12.256 4.667 1.00 10.00 O ATOM 0 H GLU A 78 -6.448 9.824 0.276 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.988 7.768 2.324 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -8.055 9.949 2.648 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.469 8.814 3.848 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.247 10.074 3.809 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -6.028 11.280 2.806 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.373 6.856 1.697 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.678 6.351 1.304 1.00 10.00 C ATOM 1206 C LEU A 79 -10.706 7.436 1.583 1.00 10.00 C ATOM 1207 O LEU A 79 -10.745 7.971 2.690 1.00 10.00 O ATOM 1208 CB LEU A 79 -10.010 5.087 2.111 1.00 10.00 C ATOM 1209 CG LEU A 79 -11.391 4.518 1.742 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.380 3.858 0.361 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.874 3.513 2.786 1.00 10.00 C ATOM 0 H LEU A 79 -7.910 6.288 2.407 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.684 6.093 0.245 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -9.246 4.331 1.932 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.985 5.319 3.176 1.00 10.00 H new ATOM 0 HG LEU A 79 -12.081 5.361 1.717 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.373 3.468 0.136 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.100 4.595 -0.392 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.659 3.040 0.354 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.852 3.129 2.496 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.165 2.687 2.852 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.950 4.004 3.756 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.523 7.763 0.584 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.556 8.767 0.706 1.00 10.00 C ATOM 1225 C HIS A 80 -13.474 8.522 1.913 1.00 10.00 C ATOM 1226 O HIS A 80 -13.591 7.389 2.378 1.00 10.00 O ATOM 1227 CB HIS A 80 -13.300 8.849 -0.629 1.00 10.00 C ATOM 1228 CG HIS A 80 -14.046 10.134 -0.796 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.402 10.315 -0.935 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.454 11.359 -0.717 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.619 11.644 -0.925 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.464 12.322 -0.783 1.00 10.00 N ATOM 0 H HIS A 80 -11.479 7.329 -0.338 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.108 9.739 0.913 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.586 8.739 -1.445 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.999 8.016 -0.703 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.396 11.551 -0.621 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.591 12.105 -1.019 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.350 13.334 -0.734 1.00 10.00 H new