USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 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 39 HIS : no HD1:sc= -2.57! C(o=-3.9!,f=-4.8!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.37 X(o=-3.9,f=-4.3) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.499 K(o=1.2,f=-2.7) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.667 K(o=1.2,f=-3.3) USER MOD Set 3.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0501 USER MOD Single : A 13 GLN : amide:sc= -0.683 K(o=-0.68,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.333 K(o=-0.33,f=-0.94) USER MOD Single : A 16 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.19) USER MOD Single : A 20 SER OG : rot 24:sc= 0.434 USER MOD Single : A 21 THR OG1 : rot 90:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.46) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -160:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 23:sc= 1.16 USER MOD Single : A 64 SER OG : rot 180:sc= 0.16 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0549 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= 1.26 (180deg=0.948) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -2.452 -8.122 -14.887 1.00 10.00 N ATOM 30 CA LYS A 5 -2.639 -9.189 -13.913 1.00 10.00 C ATOM 31 C LYS A 5 -3.119 -8.549 -12.616 1.00 10.00 C ATOM 32 O LYS A 5 -2.335 -8.260 -11.716 1.00 10.00 O ATOM 33 CB LYS A 5 -1.358 -10.020 -13.761 1.00 10.00 C ATOM 34 CG LYS A 5 -1.566 -11.157 -12.750 1.00 10.00 C ATOM 35 CD LYS A 5 -0.575 -12.302 -12.992 1.00 10.00 C ATOM 36 CE LYS A 5 -0.615 -13.291 -11.817 1.00 10.00 C ATOM 37 NZ LYS A 5 -0.024 -14.602 -12.160 1.00 10.00 N ATOM 0 HA LYS A 5 -3.395 -9.902 -14.242 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.070 -10.434 -14.727 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.540 -9.379 -13.432 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -1.443 -10.774 -11.737 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.586 -11.533 -12.826 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -0.822 -12.817 -13.920 1.00 10.00 H new ATOM 0 HD3 LYS A 5 0.433 -11.903 -13.108 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -0.078 -12.865 -10.969 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -1.648 -13.433 -11.501 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -0.075 -15.233 -11.335 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -0.551 -15.024 -12.951 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 0.970 -14.473 -12.436 1.00 10.00 H new ATOM 51 N TYR A 6 -4.424 -8.300 -12.562 1.00 10.00 N ATOM 52 CA TYR A 6 -5.084 -7.753 -11.393 1.00 10.00 C ATOM 53 C TYR A 6 -4.980 -8.713 -10.207 1.00 10.00 C ATOM 54 O TYR A 6 -4.717 -9.901 -10.399 1.00 10.00 O ATOM 55 CB TYR A 6 -6.550 -7.497 -11.730 1.00 10.00 C ATOM 56 CG TYR A 6 -6.815 -6.787 -13.039 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.655 -5.398 -13.100 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.266 -7.489 -14.170 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.911 -4.703 -14.291 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.576 -6.788 -15.348 1.00 10.00 C ATOM 61 CZ TYR A 6 -7.370 -5.399 -15.420 1.00 10.00 C ATOM 62 OH TYR A 6 -7.600 -4.729 -16.584 1.00 10.00 O ATOM 0 H TYR A 6 -5.057 -8.477 -13.342 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.596 -6.820 -11.112 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.071 -8.454 -11.747 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.990 -6.909 -10.925 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.332 -4.857 -12.223 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.374 -8.563 -14.134 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.755 -3.635 -14.339 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.974 -7.318 -16.201 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.913 -5.358 -17.267 1.00 10.00 H new ATOM 72 N TYR A 7 -5.226 -8.209 -8.995 1.00 10.00 N ATOM 73 CA TYR A 7 -5.247 -9.016 -7.782 1.00 10.00 C ATOM 74 C TYR A 7 -6.560 -8.764 -7.038 1.00 10.00 C ATOM 75 O TYR A 7 -7.032 -7.626 -6.974 1.00 10.00 O ATOM 76 CB TYR A 7 -4.017 -8.690 -6.928 1.00 10.00 C ATOM 77 CG TYR A 7 -2.698 -8.753 -7.679 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.248 -9.975 -8.210 1.00 10.00 C ATOM 79 CD2 TYR A 7 -1.954 -7.579 -7.906 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.084 -10.016 -8.997 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.790 -7.621 -8.689 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.378 -8.830 -9.268 1.00 10.00 C ATOM 83 OH TYR A 7 0.716 -8.851 -10.080 1.00 10.00 O ATOM 0 H TYR A 7 -5.417 -7.221 -8.831 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.200 -10.078 -8.023 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.135 -7.691 -6.509 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.977 -9.385 -6.089 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.798 -10.883 -8.013 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.280 -6.643 -7.476 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.732 -10.957 -9.393 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.212 -6.722 -8.846 1.00 10.00 H new ATOM 0 HH TYR A 7 1.081 -7.945 -10.160 1.00 10.00 H new ATOM 93 N THR A 8 -7.197 -9.832 -6.550 1.00 10.00 N ATOM 94 CA THR A 8 -8.442 -9.770 -5.797 1.00 10.00 C ATOM 95 C THR A 8 -8.136 -9.321 -4.373 1.00 10.00 C ATOM 96 O THR A 8 -7.044 -9.596 -3.870 1.00 10.00 O ATOM 97 CB THR A 8 -9.056 -11.176 -5.760 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.025 -12.088 -5.454 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.658 -11.600 -7.098 1.00 10.00 C ATOM 0 H THR A 8 -6.849 -10.783 -6.673 1.00 10.00 H new ATOM 0 HA THR A 8 -9.134 -9.069 -6.263 1.00 10.00 H new ATOM 0 HB THR A 8 -9.855 -11.167 -5.019 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.391 -12.997 -5.422 1.00 10.00 H new ATOM 0 HG21 THR A 8 -10.076 -12.603 -7.008 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.447 -10.902 -7.380 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.882 -11.598 -7.863 1.00 10.00 H new ATOM 107 N LEU A 9 -9.117 -8.710 -3.703 1.00 10.00 N ATOM 108 CA LEU A 9 -8.985 -8.288 -2.318 1.00 10.00 C ATOM 109 C LEU A 9 -8.426 -9.419 -1.457 1.00 10.00 C ATOM 110 O LEU A 9 -7.590 -9.160 -0.607 1.00 10.00 O ATOM 111 CB LEU A 9 -10.336 -7.804 -1.777 1.00 10.00 C ATOM 112 CG LEU A 9 -10.234 -6.441 -1.065 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.605 -5.998 -0.540 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.250 -6.478 0.110 1.00 10.00 C ATOM 0 H LEU A 9 -10.026 -8.496 -4.113 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.281 -7.457 -2.276 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.047 -7.728 -2.600 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.731 -8.545 -1.082 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.869 -5.731 -1.807 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.509 -5.034 -0.041 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.302 -5.908 -1.373 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -11.980 -6.737 0.168 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.210 -5.496 0.582 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.581 -7.218 0.839 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.258 -6.746 -0.254 1.00 10.00 H new ATOM 126 N GLU A 10 -8.867 -10.660 -1.696 1.00 10.00 N ATOM 127 CA GLU A 10 -8.370 -11.857 -1.018 1.00 10.00 C ATOM 128 C GLU A 10 -6.844 -12.002 -1.154 1.00 10.00 C ATOM 129 O GLU A 10 -6.111 -11.928 -0.170 1.00 10.00 O ATOM 130 CB GLU A 10 -9.111 -13.093 -1.544 1.00 10.00 C ATOM 131 CG GLU A 10 -8.951 -14.300 -0.607 1.00 10.00 C ATOM 132 CD GLU A 10 -9.795 -14.178 0.655 1.00 10.00 C ATOM 133 OE1 GLU A 10 -11.027 -14.338 0.528 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.188 -13.936 1.721 1.00 10.00 O ATOM 0 H GLU A 10 -9.595 -10.861 -2.381 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.571 -11.760 0.049 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.170 -12.860 -1.658 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.733 -13.349 -2.534 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.231 -15.209 -1.140 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.902 -14.403 -0.329 1.00 10.00 H new ATOM 141 N GLU A 11 -6.344 -12.211 -2.372 1.00 10.00 N ATOM 142 CA GLU A 11 -4.919 -12.344 -2.641 1.00 10.00 C ATOM 143 C GLU A 11 -4.145 -11.178 -2.033 1.00 10.00 C ATOM 144 O GLU A 11 -3.114 -11.369 -1.399 1.00 10.00 O ATOM 145 CB GLU A 11 -4.660 -12.452 -4.154 1.00 10.00 C ATOM 146 CG GLU A 11 -4.175 -13.850 -4.563 1.00 10.00 C ATOM 147 CD GLU A 11 -5.255 -14.925 -4.489 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.214 -14.736 -3.712 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.089 -15.926 -5.218 1.00 10.00 O ATOM 0 H GLU A 11 -6.926 -12.293 -3.206 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.565 -13.262 -2.173 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.576 -12.215 -4.695 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.916 -11.711 -4.447 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.789 -13.806 -5.581 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.344 -14.138 -3.919 1.00 10.00 H new ATOM 156 N ILE A 12 -4.646 -9.958 -2.207 1.00 10.00 N ATOM 157 CA ILE A 12 -4.007 -8.793 -1.613 1.00 10.00 C ATOM 158 C ILE A 12 -4.000 -8.945 -0.075 1.00 10.00 C ATOM 159 O ILE A 12 -2.956 -8.801 0.557 1.00 10.00 O ATOM 160 CB ILE A 12 -4.710 -7.517 -2.118 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.665 -7.455 -3.660 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.092 -6.230 -1.541 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.626 -6.405 -4.213 1.00 10.00 C ATOM 0 H ILE A 12 -5.485 -9.754 -2.750 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.964 -8.710 -1.917 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.742 -7.573 -1.773 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.650 -7.226 -3.985 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.919 -8.432 -4.071 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.626 -5.363 -1.931 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.169 -6.245 -0.454 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.043 -6.169 -1.830 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.564 -6.393 -5.301 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.644 -6.648 -3.910 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.356 -5.424 -3.823 1.00 10.00 H new ATOM 175 N GLN A 13 -5.145 -9.281 0.528 1.00 10.00 N ATOM 176 CA GLN A 13 -5.326 -9.538 1.951 1.00 10.00 C ATOM 177 C GLN A 13 -4.302 -10.541 2.461 1.00 10.00 C ATOM 178 O GLN A 13 -3.690 -10.301 3.494 1.00 10.00 O ATOM 179 CB GLN A 13 -6.756 -10.017 2.251 1.00 10.00 C ATOM 180 CG GLN A 13 -7.726 -8.878 2.590 1.00 10.00 C ATOM 181 CD GLN A 13 -7.936 -8.691 4.094 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.180 -9.198 4.918 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.001 -7.988 4.471 1.00 10.00 N ATOM 0 H GLN A 13 -6.014 -9.385 0.004 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.169 -8.598 2.479 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.136 -10.562 1.387 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.728 -10.719 3.084 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.347 -7.949 2.164 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.688 -9.076 2.117 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.615 -7.576 3.768 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.203 -7.861 5.463 1.00 10.00 H new ATOM 192 N LYS A 14 -4.078 -11.647 1.744 1.00 10.00 N ATOM 193 CA LYS A 14 -3.097 -12.659 2.124 1.00 10.00 C ATOM 194 C LYS A 14 -1.741 -12.011 2.476 1.00 10.00 C ATOM 195 O LYS A 14 -1.037 -12.485 3.366 1.00 10.00 O ATOM 196 CB LYS A 14 -2.950 -13.702 1.002 1.00 10.00 C ATOM 197 CG LYS A 14 -4.214 -14.530 0.682 1.00 10.00 C ATOM 198 CD LYS A 14 -4.243 -15.904 1.374 1.00 10.00 C ATOM 199 CE LYS A 14 -5.275 -15.964 2.511 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.841 -16.863 3.599 1.00 10.00 N ATOM 0 H LYS A 14 -4.576 -11.863 0.881 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.452 -13.171 3.019 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.636 -13.188 0.093 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.148 -14.389 1.273 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.095 -13.963 0.982 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.280 -14.674 -0.396 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -4.472 -16.674 0.638 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.254 -16.128 1.772 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.435 -14.962 2.910 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -6.231 -16.307 2.116 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.563 -16.877 4.347 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.712 -17.825 3.224 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -3.941 -16.522 3.993 1.00 10.00 H new ATOM 214 N HIS A 15 -1.395 -10.897 1.822 1.00 10.00 N ATOM 215 CA HIS A 15 -0.167 -10.146 2.051 1.00 10.00 C ATOM 216 C HIS A 15 -0.405 -9.101 3.152 1.00 10.00 C ATOM 217 O HIS A 15 -0.442 -7.900 2.873 1.00 10.00 O ATOM 218 CB HIS A 15 0.303 -9.485 0.740 1.00 10.00 C ATOM 219 CG HIS A 15 0.708 -10.414 -0.383 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.781 -10.226 -1.228 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.028 -11.513 -0.839 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.765 -11.217 -2.137 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.720 -12.030 -1.937 1.00 10.00 N ATOM 0 H HIS A 15 -1.983 -10.485 1.098 1.00 10.00 H new ATOM 0 HA HIS A 15 0.621 -10.822 2.382 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.499 -8.842 0.377 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.151 -8.839 0.970 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.885 -11.911 -0.422 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.496 -11.340 -2.922 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.478 -12.860 -2.478 1.00 10.00 H new ATOM 231 N ASN A 16 -0.547 -9.570 4.402 1.00 10.00 N ATOM 232 CA ASN A 16 -0.765 -8.727 5.586 1.00 10.00 C ATOM 233 C ASN A 16 0.074 -9.179 6.785 1.00 10.00 C ATOM 234 O ASN A 16 -0.265 -8.873 7.924 1.00 10.00 O ATOM 235 CB ASN A 16 -2.253 -8.720 5.987 1.00 10.00 C ATOM 236 CG ASN A 16 -2.700 -10.037 6.626 1.00 10.00 C ATOM 237 OD1 ASN A 16 -3.008 -10.109 7.811 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.728 -11.107 5.840 1.00 10.00 N ATOM 0 H ASN A 16 -0.513 -10.566 4.621 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.451 -7.720 5.309 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.433 -7.903 6.686 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.862 -8.524 5.104 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.010 -12.011 6.219 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.468 -11.025 4.857 1.00 10.00 H new ATOM 292 N SER A 20 5.272 -9.403 3.552 1.00 10.00 N ATOM 293 CA SER A 20 4.376 -9.093 2.456 1.00 10.00 C ATOM 294 C SER A 20 3.287 -8.116 2.897 1.00 10.00 C ATOM 295 O SER A 20 2.430 -8.472 3.704 1.00 10.00 O ATOM 296 CB SER A 20 3.795 -10.415 1.958 1.00 10.00 C ATOM 297 OG SER A 20 4.862 -11.335 1.806 1.00 10.00 O ATOM 0 HA SER A 20 4.911 -8.597 1.646 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.060 -10.798 2.666 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.279 -10.270 1.009 1.00 10.00 H new ATOM 0 HG SER A 20 5.605 -11.073 2.389 1.00 10.00 H new ATOM 303 N THR A 21 3.359 -6.896 2.362 1.00 10.00 N ATOM 304 CA THR A 21 2.502 -5.775 2.701 1.00 10.00 C ATOM 305 C THR A 21 2.029 -5.160 1.390 1.00 10.00 C ATOM 306 O THR A 21 2.710 -4.302 0.823 1.00 10.00 O ATOM 307 CB THR A 21 3.310 -4.772 3.531 1.00 10.00 C ATOM 308 OG1 THR A 21 3.646 -5.361 4.770 1.00 10.00 O ATOM 309 CG2 THR A 21 2.566 -3.466 3.809 1.00 10.00 C ATOM 0 H THR A 21 4.049 -6.659 1.650 1.00 10.00 H new ATOM 0 HA THR A 21 1.639 -6.081 3.292 1.00 10.00 H new ATOM 0 HB THR A 21 4.193 -4.525 2.942 1.00 10.00 H new ATOM 0 HG1 THR A 21 4.505 -5.825 4.689 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.199 -2.805 4.401 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.318 -2.981 2.865 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.650 -3.679 4.359 1.00 10.00 H new ATOM 317 N TRP A 22 0.882 -5.633 0.905 1.00 10.00 N ATOM 318 CA TRP A 22 0.178 -5.039 -0.221 1.00 10.00 C ATOM 319 C TRP A 22 -1.007 -4.263 0.326 1.00 10.00 C ATOM 320 O TRP A 22 -1.188 -4.229 1.536 1.00 10.00 O ATOM 321 CB TRP A 22 -0.282 -6.153 -1.154 1.00 10.00 C ATOM 322 CG TRP A 22 0.800 -6.827 -1.930 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.130 -6.676 -1.761 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.648 -7.691 -3.085 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.808 -7.366 -2.734 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.941 -8.007 -3.598 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.467 -8.210 -3.767 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.110 -8.789 -4.751 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.312 -9.037 -4.887 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.972 -9.298 -5.405 1.00 10.00 C ATOM 0 H TRP A 22 0.412 -6.452 1.292 1.00 10.00 H new ATOM 0 HA TRP A 22 0.822 -4.363 -0.783 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.805 -6.905 -0.563 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -1.006 -5.740 -1.856 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.593 -6.097 -0.975 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.825 -7.401 -2.810 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.461 -7.967 -3.421 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.099 -8.997 -5.131 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.180 -9.476 -5.355 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.083 -9.888 -6.303 1.00 10.00 H new ATOM 341 N LEU A 23 -1.803 -3.633 -0.538 1.00 10.00 N ATOM 342 CA LEU A 23 -2.964 -2.838 -0.156 1.00 10.00 C ATOM 343 C LEU A 23 -3.556 -2.210 -1.406 1.00 10.00 C ATOM 344 O LEU A 23 -2.903 -2.228 -2.450 1.00 10.00 O ATOM 345 CB LEU A 23 -2.616 -1.766 0.885 1.00 10.00 C ATOM 346 CG LEU A 23 -1.288 -1.038 0.616 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.435 0.052 -0.442 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.819 -0.420 1.924 1.00 10.00 C ATOM 0 H LEU A 23 -1.652 -3.664 -1.546 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.697 -3.494 0.314 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.421 -1.031 0.917 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.570 -2.232 1.869 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.563 -1.758 0.236 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.472 0.539 -0.599 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.774 -0.393 -1.378 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.164 0.789 -0.106 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.123 0.104 1.762 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.569 0.285 2.283 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.674 -1.205 2.666 1.00 10.00 H new ATOM 360 N ILE A 24 -4.772 -1.667 -1.294 1.00 10.00 N ATOM 361 CA ILE A 24 -5.488 -1.038 -2.400 1.00 10.00 C ATOM 362 C ILE A 24 -5.613 0.462 -2.135 1.00 10.00 C ATOM 363 O ILE A 24 -6.216 0.879 -1.140 1.00 10.00 O ATOM 364 CB ILE A 24 -6.854 -1.707 -2.611 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.658 -3.153 -3.089 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.690 -0.958 -3.662 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.793 -4.036 -2.563 1.00 10.00 C ATOM 0 H ILE A 24 -5.292 -1.654 -0.417 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.927 -1.172 -3.325 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.381 -1.686 -1.657 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.636 -3.185 -4.178 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.698 -3.533 -2.740 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.650 -1.458 -3.787 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.855 0.068 -3.332 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.158 -0.952 -4.613 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.646 -5.060 -2.907 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.795 -4.016 -1.473 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.747 -3.662 -2.934 1.00 10.00 H new ATOM 379 N LEU A 25 -5.017 1.249 -3.037 1.00 10.00 N ATOM 380 CA LEU A 25 -5.028 2.704 -3.067 1.00 10.00 C ATOM 381 C LEU A 25 -5.652 3.101 -4.402 1.00 10.00 C ATOM 382 O LEU A 25 -4.996 3.064 -5.442 1.00 10.00 O ATOM 383 CB LEU A 25 -3.591 3.235 -2.940 1.00 10.00 C ATOM 384 CG LEU A 25 -3.127 3.719 -1.569 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.701 2.842 -0.488 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.599 3.735 -1.520 1.00 10.00 C ATOM 0 H LEU A 25 -4.482 0.856 -3.812 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.600 3.126 -2.240 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.913 2.445 -3.263 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.476 4.060 -3.643 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.486 4.734 -1.400 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.363 3.197 0.486 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.790 2.878 -0.530 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.366 1.815 -0.636 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.270 4.081 -0.540 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.219 2.729 -1.696 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.217 4.407 -2.289 1.00 10.00 H new ATOM 398 N HIS A 26 -6.931 3.467 -4.378 1.00 10.00 N ATOM 399 CA HIS A 26 -7.670 3.940 -5.540 1.00 10.00 C ATOM 400 C HIS A 26 -7.708 2.856 -6.615 1.00 10.00 C ATOM 401 O HIS A 26 -7.297 3.088 -7.751 1.00 10.00 O ATOM 402 CB HIS A 26 -7.093 5.257 -6.088 1.00 10.00 C ATOM 403 CG HIS A 26 -6.808 6.302 -5.043 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.678 7.260 -4.572 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.620 6.462 -4.386 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.017 7.980 -3.646 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.759 7.531 -3.498 1.00 10.00 N ATOM 0 H HIS A 26 -7.494 3.441 -3.528 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.692 4.153 -5.228 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.170 5.038 -6.624 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.793 5.670 -6.814 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.730 5.866 -4.529 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.441 8.807 -3.096 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.048 7.897 -2.864 1.00 10.00 H new ATOM 415 N TYR A 27 -8.197 1.667 -6.248 1.00 10.00 N ATOM 416 CA TYR A 27 -8.348 0.527 -7.144 1.00 10.00 C ATOM 417 C TYR A 27 -7.004 0.032 -7.705 1.00 10.00 C ATOM 418 O TYR A 27 -7.008 -0.786 -8.623 1.00 10.00 O ATOM 419 CB TYR A 27 -9.360 0.836 -8.267 1.00 10.00 C ATOM 420 CG TYR A 27 -10.721 1.338 -7.805 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.901 2.690 -7.454 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.821 0.462 -7.754 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.120 3.119 -6.903 1.00 10.00 C ATOM 424 CE2 TYR A 27 -13.050 0.897 -7.227 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.186 2.216 -6.765 1.00 10.00 C ATOM 426 OH TYR A 27 -14.360 2.638 -6.217 1.00 10.00 O ATOM 0 H TYR A 27 -8.505 1.471 -5.296 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.748 -0.295 -6.550 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.923 1.583 -8.930 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.507 -0.068 -8.858 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.100 3.398 -7.609 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.721 -0.549 -8.121 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.237 4.145 -6.585 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.888 0.218 -7.178 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.996 1.893 -6.193 1.00 10.00 H new ATOM 436 N LYS A 28 -5.865 0.489 -7.162 1.00 10.00 N ATOM 437 CA LYS A 28 -4.531 0.099 -7.603 1.00 10.00 C ATOM 438 C LYS A 28 -3.759 -0.537 -6.451 1.00 10.00 C ATOM 439 O LYS A 28 -3.851 -0.059 -5.319 1.00 10.00 O ATOM 440 CB LYS A 28 -3.777 1.295 -8.195 1.00 10.00 C ATOM 441 CG LYS A 28 -4.508 1.848 -9.422 1.00 10.00 C ATOM 442 CD LYS A 28 -3.563 2.562 -10.400 1.00 10.00 C ATOM 443 CE LYS A 28 -4.105 3.941 -10.787 1.00 10.00 C ATOM 444 NZ LYS A 28 -3.937 4.907 -9.685 1.00 10.00 N ATOM 0 H LYS A 28 -5.853 1.154 -6.388 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.629 -0.644 -8.394 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.679 2.077 -7.442 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.768 0.992 -8.474 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.011 1.031 -9.939 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.282 2.544 -9.097 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.578 2.670 -9.945 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.435 1.954 -11.296 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.586 4.303 -11.674 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.161 3.860 -11.046 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.313 5.833 -9.974 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -4.453 4.571 -8.847 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -2.927 5.000 -9.456 1.00 10.00 H new ATOM 458 N VAL A 29 -3.030 -1.620 -6.746 1.00 10.00 N ATOM 459 CA VAL A 29 -2.282 -2.399 -5.772 1.00 10.00 C ATOM 460 C VAL A 29 -0.812 -1.977 -5.766 1.00 10.00 C ATOM 461 O VAL A 29 -0.192 -1.857 -6.824 1.00 10.00 O ATOM 462 CB VAL A 29 -2.421 -3.900 -6.070 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.974 -4.722 -4.856 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.863 -4.266 -6.419 1.00 10.00 C ATOM 0 H VAL A 29 -2.947 -1.982 -7.696 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.693 -2.208 -4.781 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.786 -4.127 -6.926 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.077 -5.784 -5.078 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.932 -4.498 -4.629 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.595 -4.469 -3.997 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.928 -5.335 -6.624 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.514 -4.017 -5.581 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.177 -3.707 -7.301 1.00 10.00 H new ATOM 474 N TYR A 30 -0.254 -1.764 -4.571 1.00 10.00 N ATOM 475 CA TYR A 30 1.105 -1.272 -4.382 1.00 10.00 C ATOM 476 C TYR A 30 1.861 -2.210 -3.445 1.00 10.00 C ATOM 477 O TYR A 30 1.446 -2.384 -2.301 1.00 10.00 O ATOM 478 CB TYR A 30 1.035 0.145 -3.806 1.00 10.00 C ATOM 479 CG TYR A 30 0.412 1.144 -4.760 1.00 10.00 C ATOM 480 CD1 TYR A 30 -0.974 1.355 -4.734 1.00 10.00 C ATOM 481 CD2 TYR A 30 1.191 1.781 -5.741 1.00 10.00 C ATOM 482 CE1 TYR A 30 -1.556 2.307 -5.585 1.00 10.00 C ATOM 483 CE2 TYR A 30 0.595 2.699 -6.629 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.771 2.993 -6.520 1.00 10.00 C ATOM 485 OH TYR A 30 -1.334 3.978 -7.279 1.00 10.00 O ATOM 0 H TYR A 30 -0.747 -1.933 -3.694 1.00 10.00 H new ATOM 0 HA TYR A 30 1.638 -1.243 -5.332 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.459 0.127 -2.881 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.041 0.476 -3.548 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.594 0.784 -4.058 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.247 1.567 -5.814 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.614 2.512 -5.519 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.191 3.176 -7.393 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.657 4.357 -7.878 1.00 10.00 H new ATOM 495 N ASP A 31 2.963 -2.801 -3.921 1.00 10.00 N ATOM 496 CA ASP A 31 3.847 -3.607 -3.088 1.00 10.00 C ATOM 497 C ASP A 31 4.869 -2.678 -2.448 1.00 10.00 C ATOM 498 O ASP A 31 5.750 -2.172 -3.139 1.00 10.00 O ATOM 499 CB ASP A 31 4.568 -4.677 -3.921 1.00 10.00 C ATOM 500 CG ASP A 31 5.553 -5.481 -3.076 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.087 -6.077 -2.080 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.753 -5.516 -3.422 1.00 10.00 O ATOM 0 H ASP A 31 3.262 -2.731 -4.894 1.00 10.00 H new ATOM 0 HA ASP A 31 3.260 -4.120 -2.326 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.834 -5.350 -4.363 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.100 -4.200 -4.745 1.00 10.00 H new ATOM 507 N LEU A 32 4.749 -2.429 -1.141 1.00 10.00 N ATOM 508 CA LEU A 32 5.694 -1.602 -0.401 1.00 10.00 C ATOM 509 C LEU A 32 6.375 -2.450 0.675 1.00 10.00 C ATOM 510 O LEU A 32 6.882 -1.930 1.666 1.00 10.00 O ATOM 511 CB LEU A 32 4.988 -0.379 0.196 1.00 10.00 C ATOM 512 CG LEU A 32 4.114 0.379 -0.826 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.692 0.549 -0.278 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.793 1.705 -1.192 1.00 10.00 C ATOM 0 H LEU A 32 3.990 -2.798 -0.569 1.00 10.00 H new ATOM 0 HA LEU A 32 6.462 -1.227 -1.078 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.364 -0.699 1.031 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.736 0.303 0.600 1.00 10.00 H new ATOM 0 HG LEU A 32 4.018 -0.193 -1.749 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.083 1.085 -1.006 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.255 -0.432 -0.091 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.726 1.115 0.653 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.177 2.242 -1.914 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.913 2.312 -0.295 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.772 1.504 -1.628 1.00 10.00 H new ATOM 526 N THR A 33 6.399 -3.771 0.479 1.00 10.00 N ATOM 527 CA THR A 33 6.973 -4.716 1.425 1.00 10.00 C ATOM 528 C THR A 33 8.454 -4.423 1.665 1.00 10.00 C ATOM 529 O THR A 33 8.947 -4.532 2.786 1.00 10.00 O ATOM 530 CB THR A 33 6.721 -6.137 0.909 1.00 10.00 C ATOM 531 OG1 THR A 33 6.963 -7.084 1.923 1.00 10.00 O ATOM 532 CG2 THR A 33 7.580 -6.528 -0.287 1.00 10.00 C ATOM 0 H THR A 33 6.013 -4.215 -0.355 1.00 10.00 H new ATOM 0 HA THR A 33 6.492 -4.615 2.398 1.00 10.00 H new ATOM 0 HB THR A 33 5.677 -6.135 0.594 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.111 -7.965 1.520 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.340 -7.547 -0.590 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.382 -5.847 -1.115 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.633 -6.470 -0.013 1.00 10.00 H new ATOM 540 N LYS A 34 9.150 -4.006 0.605 1.00 10.00 N ATOM 541 CA LYS A 34 10.535 -3.557 0.665 1.00 10.00 C ATOM 542 C LYS A 34 10.573 -2.032 0.738 1.00 10.00 C ATOM 543 O LYS A 34 11.469 -1.406 0.184 1.00 10.00 O ATOM 544 CB LYS A 34 11.309 -4.094 -0.546 1.00 10.00 C ATOM 545 CG LYS A 34 11.402 -5.627 -0.509 1.00 10.00 C ATOM 546 CD LYS A 34 10.823 -6.223 -1.797 1.00 10.00 C ATOM 547 CE LYS A 34 10.767 -7.755 -1.725 1.00 10.00 C ATOM 548 NZ LYS A 34 9.936 -8.313 -2.812 1.00 10.00 N ATOM 0 H LYS A 34 8.756 -3.972 -0.335 1.00 10.00 H new ATOM 0 HA LYS A 34 11.017 -3.947 1.561 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.816 -3.779 -1.465 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.311 -3.666 -0.559 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.442 -5.933 -0.393 1.00 10.00 H new ATOM 0 HG3 LYS A 34 10.859 -6.011 0.354 1.00 10.00 H new ATOM 0 HD2 LYS A 34 9.821 -5.828 -1.965 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.433 -5.919 -2.648 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.776 -8.162 -1.790 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.362 -8.061 -0.761 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 9.917 -9.350 -2.737 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 8.967 -7.943 -2.734 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 10.338 -8.040 -3.731 1.00 10.00 H new ATOM 562 N PHE A 35 9.588 -1.437 1.414 1.00 10.00 N ATOM 563 CA PHE A 35 9.558 -0.015 1.686 1.00 10.00 C ATOM 564 C PHE A 35 8.969 0.255 3.066 1.00 10.00 C ATOM 565 O PHE A 35 8.581 1.377 3.346 1.00 10.00 O ATOM 566 CB PHE A 35 8.738 0.697 0.608 1.00 10.00 C ATOM 567 CG PHE A 35 9.218 2.099 0.265 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.566 2.319 -0.086 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.326 3.189 0.312 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.016 3.614 -0.388 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.780 4.486 0.012 1.00 10.00 C ATOM 572 CZ PHE A 35 10.127 4.699 -0.330 1.00 10.00 C ATOM 0 H PHE A 35 8.785 -1.942 1.788 1.00 10.00 H new ATOM 0 HA PHE A 35 10.578 0.369 1.671 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.751 0.091 -0.298 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.701 0.754 0.938 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.255 1.488 -0.123 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.292 3.028 0.579 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.047 3.776 -0.665 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.093 5.319 0.044 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.478 5.697 -0.548 1.00 10.00 H new ATOM 582 N LEU A 36 8.864 -0.748 3.937 1.00 10.00 N ATOM 583 CA LEU A 36 8.250 -0.556 5.244 1.00 10.00 C ATOM 584 C LEU A 36 9.114 0.369 6.094 1.00 10.00 C ATOM 585 O LEU A 36 8.691 1.458 6.470 1.00 10.00 O ATOM 586 CB LEU A 36 8.065 -1.915 5.924 1.00 10.00 C ATOM 587 CG LEU A 36 7.043 -2.786 5.183 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.096 -4.207 5.748 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.638 -2.195 5.325 1.00 10.00 C ATOM 0 H LEU A 36 9.195 -1.696 3.760 1.00 10.00 H new ATOM 0 HA LEU A 36 7.272 -0.090 5.126 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.023 -2.434 5.966 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.738 -1.765 6.953 1.00 10.00 H new ATOM 0 HG LEU A 36 7.287 -2.814 4.121 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.372 -4.833 5.226 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.097 -4.617 5.609 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.857 -4.185 6.811 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.923 -2.824 4.794 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.367 -2.149 6.380 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.621 -1.190 4.902 1.00 10.00 H new ATOM 601 N GLU A 37 10.334 -0.084 6.375 1.00 10.00 N ATOM 602 CA GLU A 37 11.327 0.648 7.141 1.00 10.00 C ATOM 603 C GLU A 37 11.707 1.956 6.435 1.00 10.00 C ATOM 604 O GLU A 37 12.010 2.955 7.082 1.00 10.00 O ATOM 605 CB GLU A 37 12.516 -0.298 7.385 1.00 10.00 C ATOM 606 CG GLU A 37 13.162 -0.852 6.096 1.00 10.00 C ATOM 607 CD GLU A 37 13.610 -2.310 6.235 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.711 -2.514 6.786 1.00 10.00 O ATOM 609 OE2 GLU A 37 12.847 -3.205 5.790 1.00 10.00 O ATOM 0 H GLU A 37 10.664 -0.998 6.065 1.00 10.00 H new ATOM 0 HA GLU A 37 10.934 0.959 8.109 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.276 0.233 7.959 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.180 -1.135 7.998 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.449 -0.773 5.275 1.00 10.00 H new ATOM 0 HG3 GLU A 37 14.022 -0.236 5.833 1.00 10.00 H new ATOM 616 N GLU A 38 11.673 1.946 5.100 1.00 10.00 N ATOM 617 CA GLU A 38 12.002 3.091 4.274 1.00 10.00 C ATOM 618 C GLU A 38 10.903 4.154 4.320 1.00 10.00 C ATOM 619 O GLU A 38 11.213 5.336 4.436 1.00 10.00 O ATOM 620 CB GLU A 38 12.226 2.618 2.840 1.00 10.00 C ATOM 621 CG GLU A 38 13.366 1.594 2.731 1.00 10.00 C ATOM 622 CD GLU A 38 14.280 1.932 1.559 1.00 10.00 C ATOM 623 OE1 GLU A 38 15.181 2.770 1.772 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.034 1.380 0.466 1.00 10.00 O ATOM 0 H GLU A 38 11.410 1.121 4.561 1.00 10.00 H new ATOM 0 HA GLU A 38 12.911 3.552 4.660 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.306 2.175 2.459 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.452 3.477 2.208 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.942 1.583 3.657 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.953 0.594 2.600 1.00 10.00 H new ATOM 631 N HIS A 39 9.636 3.741 4.180 1.00 10.00 N ATOM 632 CA HIS A 39 8.477 4.627 4.084 1.00 10.00 C ATOM 633 C HIS A 39 8.506 5.628 5.239 1.00 10.00 C ATOM 634 O HIS A 39 8.243 5.232 6.377 1.00 10.00 O ATOM 635 CB HIS A 39 7.172 3.819 4.106 1.00 10.00 C ATOM 636 CG HIS A 39 5.912 4.638 4.258 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.994 4.495 5.270 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.402 5.539 3.359 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.954 5.294 4.984 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.149 5.957 3.828 1.00 10.00 N ATOM 0 H HIS A 39 9.386 2.753 4.129 1.00 10.00 H new ATOM 0 HA HIS A 39 8.520 5.167 3.138 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.104 3.244 3.182 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.221 3.102 4.925 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.882 5.869 2.449 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.074 5.393 5.602 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.517 6.624 3.386 1.00 10.00 H new ATOM 648 N PRO A 40 8.798 6.912 4.974 1.00 10.00 N ATOM 649 CA PRO A 40 8.964 7.910 6.016 1.00 10.00 C ATOM 650 C PRO A 40 7.593 8.354 6.547 1.00 10.00 C ATOM 651 O PRO A 40 7.201 9.511 6.436 1.00 10.00 O ATOM 652 CB PRO A 40 9.809 9.022 5.381 1.00 10.00 C ATOM 653 CG PRO A 40 9.664 8.856 3.864 1.00 10.00 C ATOM 654 CD PRO A 40 9.091 7.458 3.655 1.00 10.00 C ATOM 0 HA PRO A 40 9.479 7.541 6.903 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.462 10.005 5.700 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.853 8.939 5.684 1.00 10.00 H new ATOM 0 HG2 PRO A 40 9.003 9.616 3.448 1.00 10.00 H new ATOM 0 HG3 PRO A 40 10.627 8.963 3.365 1.00 10.00 H new ATOM 0 HD2 PRO A 40 8.188 7.499 3.046 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.803 6.825 3.126 1.00 10.00 H new ATOM 662 N GLY A 41 6.849 7.416 7.133 1.00 10.00 N ATOM 663 CA GLY A 41 5.493 7.639 7.594 1.00 10.00 C ATOM 664 C GLY A 41 5.153 6.752 8.782 1.00 10.00 C ATOM 665 O GLY A 41 4.619 7.228 9.780 1.00 10.00 O ATOM 0 H GLY A 41 7.184 6.467 7.300 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.370 8.685 7.874 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.795 7.442 6.781 1.00 10.00 H new ATOM 669 N GLY A 42 5.454 5.457 8.673 1.00 10.00 N ATOM 670 CA GLY A 42 5.191 4.503 9.736 1.00 10.00 C ATOM 671 C GLY A 42 4.951 3.126 9.136 1.00 10.00 C ATOM 672 O GLY A 42 3.920 2.901 8.502 1.00 10.00 O ATOM 0 H GLY A 42 5.886 5.047 7.845 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.035 4.469 10.425 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.321 4.816 10.313 1.00 10.00 H new ATOM 676 N GLU A 43 5.884 2.198 9.345 1.00 10.00 N ATOM 677 CA GLU A 43 5.710 0.807 8.976 1.00 10.00 C ATOM 678 C GLU A 43 4.489 0.234 9.686 1.00 10.00 C ATOM 679 O GLU A 43 3.761 -0.553 9.095 1.00 10.00 O ATOM 680 CB GLU A 43 6.972 -0.023 9.261 1.00 10.00 C ATOM 681 CG GLU A 43 7.462 -0.060 10.718 1.00 10.00 C ATOM 682 CD GLU A 43 8.268 1.173 11.096 1.00 10.00 C ATOM 683 OE1 GLU A 43 7.612 2.208 11.348 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.510 1.059 11.097 1.00 10.00 O ATOM 0 H GLU A 43 6.785 2.399 9.778 1.00 10.00 H new ATOM 0 HA GLU A 43 5.544 0.755 7.900 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.785 -1.047 8.939 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.780 0.363 8.640 1.00 10.00 H new ATOM 0 HG2 GLU A 43 6.603 -0.146 11.384 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.073 -0.950 10.869 1.00 10.00 H new ATOM 691 N ALA A 44 4.252 0.631 10.942 1.00 10.00 N ATOM 692 CA ALA A 44 3.126 0.137 11.720 1.00 10.00 C ATOM 693 C ALA A 44 1.819 0.401 10.978 1.00 10.00 C ATOM 694 O ALA A 44 1.091 -0.536 10.659 1.00 10.00 O ATOM 695 CB ALA A 44 3.116 0.765 13.115 1.00 10.00 C ATOM 0 H ALA A 44 4.837 1.302 11.440 1.00 10.00 H new ATOM 0 HA ALA A 44 3.230 -0.941 11.847 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.266 0.382 13.680 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.041 0.513 13.634 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.034 1.848 13.026 1.00 10.00 H new ATOM 701 N VAL A 45 1.524 1.667 10.671 1.00 10.00 N ATOM 702 CA VAL A 45 0.309 1.986 9.938 1.00 10.00 C ATOM 703 C VAL A 45 0.359 1.385 8.533 1.00 10.00 C ATOM 704 O VAL A 45 -0.638 0.792 8.116 1.00 10.00 O ATOM 705 CB VAL A 45 -0.026 3.487 9.976 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.941 4.354 9.166 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.462 3.716 9.487 1.00 10.00 C ATOM 0 H VAL A 45 2.102 2.471 10.916 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.534 1.515 10.444 1.00 10.00 H new ATOM 0 HB VAL A 45 0.077 3.797 11.016 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.641 5.399 9.240 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.951 4.237 9.559 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.920 4.044 8.121 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.691 4.781 9.517 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.560 3.352 8.464 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.156 3.177 10.132 1.00 10.00 H new ATOM 717 N LEU A 46 1.495 1.476 7.814 1.00 10.00 N ATOM 718 CA LEU A 46 1.550 0.864 6.491 1.00 10.00 C ATOM 719 C LEU A 46 1.203 -0.640 6.567 1.00 10.00 C ATOM 720 O LEU A 46 0.523 -1.168 5.692 1.00 10.00 O ATOM 721 CB LEU A 46 2.920 1.145 5.846 1.00 10.00 C ATOM 722 CG LEU A 46 2.846 1.451 4.342 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.257 1.643 3.767 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.134 0.337 3.580 1.00 10.00 C ATOM 0 H LEU A 46 2.347 1.947 8.117 1.00 10.00 H new ATOM 0 HA LEU A 46 0.795 1.311 5.844 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.385 1.988 6.356 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.568 0.282 6.000 1.00 10.00 H new ATOM 0 HG LEU A 46 2.274 2.371 4.222 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.189 1.859 2.701 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.747 2.474 4.275 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.838 0.733 3.916 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.100 0.586 2.519 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.675 -0.600 3.715 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.118 0.228 3.960 1.00 10.00 H new ATOM 736 N ARG A 47 1.632 -1.324 7.633 1.00 10.00 N ATOM 737 CA ARG A 47 1.418 -2.747 7.866 1.00 10.00 C ATOM 738 C ARG A 47 -0.027 -3.014 8.278 1.00 10.00 C ATOM 739 O ARG A 47 -0.637 -3.969 7.813 1.00 10.00 O ATOM 740 CB ARG A 47 2.404 -3.240 8.934 1.00 10.00 C ATOM 741 CG ARG A 47 2.299 -4.737 9.254 1.00 10.00 C ATOM 742 CD ARG A 47 2.617 -5.616 8.036 1.00 10.00 C ATOM 743 NE ARG A 47 3.303 -6.859 8.426 1.00 10.00 N ATOM 744 CZ ARG A 47 4.601 -6.934 8.767 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.338 -5.819 8.815 1.00 10.00 N ATOM 746 NH2 ARG A 47 5.152 -8.116 9.067 1.00 10.00 N ATOM 0 H ARG A 47 2.159 -0.879 8.385 1.00 10.00 H new ATOM 0 HA ARG A 47 1.599 -3.297 6.942 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.419 -3.023 8.601 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.241 -2.673 9.851 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.985 -4.982 10.065 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.293 -4.961 9.608 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.693 -5.859 7.512 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.242 -5.059 7.338 1.00 10.00 H new ATOM 0 HE ARG A 47 2.757 -7.720 8.438 1.00 10.00 H new ATOM 0 HH11 ARG A 47 4.915 -4.918 8.594 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.323 -5.870 9.073 1.00 10.00 H new ATOM 0 HH21 ARG A 47 4.587 -8.964 9.037 1.00 10.00 H new ATOM 0 HH22 ARG A 47 6.137 -8.168 9.325 1.00 10.00 H new ATOM 760 N ALA A 48 -0.572 -2.188 9.166 1.00 10.00 N ATOM 761 CA ALA A 48 -1.916 -2.359 9.693 1.00 10.00 C ATOM 762 C ALA A 48 -2.948 -2.252 8.573 1.00 10.00 C ATOM 763 O ALA A 48 -3.828 -3.098 8.448 1.00 10.00 O ATOM 764 CB ALA A 48 -2.157 -1.302 10.767 1.00 10.00 C ATOM 0 H ALA A 48 -0.086 -1.374 9.542 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.018 -3.350 10.135 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.162 -1.418 11.172 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.427 -1.423 11.567 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.054 -0.309 10.330 1.00 10.00 H new ATOM 770 N GLN A 49 -2.817 -1.213 7.746 1.00 10.00 N ATOM 771 CA GLN A 49 -3.681 -0.999 6.602 1.00 10.00 C ATOM 772 C GLN A 49 -3.344 -1.956 5.454 1.00 10.00 C ATOM 773 O GLN A 49 -4.083 -2.024 4.472 1.00 10.00 O ATOM 774 CB GLN A 49 -3.519 0.464 6.189 1.00 10.00 C ATOM 775 CG GLN A 49 -4.559 1.386 6.841 1.00 10.00 C ATOM 776 CD GLN A 49 -4.608 1.375 8.372 1.00 10.00 C ATOM 777 OE1 GLN A 49 -4.827 0.347 9.002 1.00 10.00 O ATOM 778 NE2 GLN A 49 -4.467 2.533 9.007 1.00 10.00 N ATOM 0 H GLN A 49 -2.101 -0.496 7.859 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.719 -1.207 6.861 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.519 0.804 6.459 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.601 0.542 5.105 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.366 2.407 6.512 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -5.544 1.111 6.465 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.285 3.386 8.478 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.541 2.569 10.024 1.00 10.00 H new ATOM 787 N ALA A 50 -2.226 -2.678 5.556 1.00 10.00 N ATOM 788 CA ALA A 50 -1.862 -3.674 4.567 1.00 10.00 C ATOM 789 C ALA A 50 -2.933 -4.752 4.437 1.00 10.00 C ATOM 790 O ALA A 50 -3.667 -5.040 5.378 1.00 10.00 O ATOM 791 CB ALA A 50 -0.526 -4.331 4.889 1.00 10.00 C ATOM 0 H ALA A 50 -1.559 -2.584 6.322 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.773 -3.144 3.619 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.290 -5.071 4.124 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.256 -3.572 4.913 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.586 -4.821 5.861 1.00 10.00 H new ATOM 797 N GLY A 51 -2.984 -5.370 3.261 1.00 10.00 N ATOM 798 CA GLY A 51 -3.931 -6.406 2.935 1.00 10.00 C ATOM 799 C GLY A 51 -5.350 -5.896 3.133 1.00 10.00 C ATOM 800 O GLY A 51 -6.130 -6.483 3.874 1.00 10.00 O ATOM 0 H GLY A 51 -2.347 -5.151 2.495 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.792 -6.725 1.902 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.758 -7.279 3.565 1.00 10.00 H new ATOM 804 N GLY A 52 -5.695 -4.800 2.460 1.00 10.00 N ATOM 805 CA GLY A 52 -7.013 -4.218 2.573 1.00 10.00 C ATOM 806 C GLY A 52 -7.090 -2.944 1.745 1.00 10.00 C ATOM 807 O GLY A 52 -6.122 -2.566 1.074 1.00 10.00 O ATOM 0 H GLY A 52 -5.069 -4.301 1.829 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.765 -4.930 2.232 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.234 -3.997 3.617 1.00 10.00 H new ATOM 811 N ASP A 53 -8.246 -2.282 1.810 1.00 10.00 N ATOM 812 CA ASP A 53 -8.384 -0.928 1.315 1.00 10.00 C ATOM 813 C ASP A 53 -7.660 -0.015 2.292 1.00 10.00 C ATOM 814 O ASP A 53 -7.925 -0.067 3.494 1.00 10.00 O ATOM 815 CB ASP A 53 -9.859 -0.534 1.198 1.00 10.00 C ATOM 816 CG ASP A 53 -10.002 0.814 0.498 1.00 10.00 C ATOM 817 OD1 ASP A 53 -9.456 1.807 1.028 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.617 0.833 -0.586 1.00 10.00 O ATOM 0 H ASP A 53 -9.101 -2.673 2.205 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.953 -0.843 0.317 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.402 -1.298 0.641 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.307 -0.484 2.190 1.00 10.00 H new ATOM 823 N ALA A 54 -6.740 0.804 1.786 1.00 10.00 N ATOM 824 CA ALA A 54 -6.157 1.874 2.573 1.00 10.00 C ATOM 825 C ALA A 54 -6.286 3.184 1.817 1.00 10.00 C ATOM 826 O ALA A 54 -5.506 4.099 2.051 1.00 10.00 O ATOM 827 CB ALA A 54 -4.695 1.549 2.858 1.00 10.00 C ATOM 0 H ALA A 54 -6.386 0.742 0.832 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.682 1.972 3.523 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.253 2.351 3.449 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.632 0.612 3.412 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.154 1.451 1.917 1.00 10.00 H new ATOM 833 N THR A 55 -7.243 3.282 0.897 1.00 10.00 N ATOM 834 CA THR A 55 -7.380 4.431 0.029 1.00 10.00 C ATOM 835 C THR A 55 -7.777 5.632 0.883 1.00 10.00 C ATOM 836 O THR A 55 -7.073 6.640 0.902 1.00 10.00 O ATOM 837 CB THR A 55 -8.379 4.115 -1.095 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.977 2.959 -1.805 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.372 5.260 -2.103 1.00 10.00 C ATOM 0 H THR A 55 -7.945 2.559 0.738 1.00 10.00 H new ATOM 0 HA THR A 55 -6.440 4.677 -0.465 1.00 10.00 H new ATOM 0 HB THR A 55 -9.361 3.969 -0.644 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.390 2.415 -1.239 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.079 5.044 -2.904 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.661 6.185 -1.605 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.372 5.370 -2.521 1.00 10.00 H new ATOM 847 N ALA A 56 -8.868 5.491 1.640 1.00 10.00 N ATOM 848 CA ALA A 56 -9.357 6.546 2.521 1.00 10.00 C ATOM 849 C ALA A 56 -8.304 6.911 3.576 1.00 10.00 C ATOM 850 O ALA A 56 -8.153 8.064 3.959 1.00 10.00 O ATOM 851 CB ALA A 56 -10.674 6.106 3.167 1.00 10.00 C ATOM 0 H ALA A 56 -9.434 4.643 1.657 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.545 7.445 1.933 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -11.038 6.895 3.825 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.413 5.912 2.390 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.509 5.198 3.747 1.00 10.00 H new ATOM 857 N ASN A 57 -7.555 5.916 4.048 1.00 10.00 N ATOM 858 CA ASN A 57 -6.522 6.086 5.062 1.00 10.00 C ATOM 859 C ASN A 57 -5.346 6.893 4.489 1.00 10.00 C ATOM 860 O ASN A 57 -4.892 7.880 5.068 1.00 10.00 O ATOM 861 CB ASN A 57 -6.090 4.693 5.551 1.00 10.00 C ATOM 862 CG ASN A 57 -6.100 4.587 7.071 1.00 10.00 C ATOM 863 OD1 ASN A 57 -5.126 4.924 7.735 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.177 4.058 7.645 1.00 10.00 N ATOM 0 H ASN A 57 -7.653 4.952 3.729 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.904 6.650 5.913 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.757 3.940 5.132 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -5.089 4.474 5.180 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.203 3.926 8.656 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.977 3.784 7.074 1.00 10.00 H new ATOM 871 N PHE A 58 -4.863 6.462 3.322 1.00 10.00 N ATOM 872 CA PHE A 58 -3.817 7.111 2.546 1.00 10.00 C ATOM 873 C PHE A 58 -4.168 8.572 2.274 1.00 10.00 C ATOM 874 O PHE A 58 -3.366 9.468 2.550 1.00 10.00 O ATOM 875 CB PHE A 58 -3.634 6.346 1.228 1.00 10.00 C ATOM 876 CG PHE A 58 -2.646 6.962 0.258 1.00 10.00 C ATOM 877 CD1 PHE A 58 -3.068 7.923 -0.681 1.00 10.00 C ATOM 878 CD2 PHE A 58 -1.308 6.544 0.269 1.00 10.00 C ATOM 879 CE1 PHE A 58 -2.142 8.484 -1.577 1.00 10.00 C ATOM 880 CE2 PHE A 58 -0.391 7.072 -0.656 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.806 8.047 -1.576 1.00 10.00 C ATOM 0 H PHE A 58 -5.209 5.612 2.876 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.885 7.097 3.112 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.309 5.331 1.457 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.603 6.267 0.734 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.103 8.229 -0.713 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -0.980 5.812 0.992 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.457 9.252 -2.268 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.633 6.728 -0.659 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.101 8.461 -2.282 1.00 10.00 H new ATOM 891 N GLU A 59 -5.347 8.806 1.687 1.00 10.00 N ATOM 892 CA GLU A 59 -5.760 10.143 1.296 1.00 10.00 C ATOM 893 C GLU A 59 -6.011 11.015 2.528 1.00 10.00 C ATOM 894 O GLU A 59 -5.623 12.181 2.530 1.00 10.00 O ATOM 895 CB GLU A 59 -6.913 10.082 0.285 1.00 10.00 C ATOM 896 CG GLU A 59 -8.222 9.522 0.843 1.00 10.00 C ATOM 897 CD GLU A 59 -9.216 10.612 1.217 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.914 11.068 0.288 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.255 10.967 2.412 1.00 10.00 O ATOM 0 H GLU A 59 -6.029 8.078 1.475 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.951 10.643 0.763 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.097 11.086 -0.097 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.604 9.470 -0.562 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.675 8.862 0.103 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.007 8.915 1.722 1.00 10.00 H new ATOM 906 N ALA A 60 -6.573 10.433 3.595 1.00 10.00 N ATOM 907 CA ALA A 60 -6.764 11.116 4.868 1.00 10.00 C ATOM 908 C ALA A 60 -5.452 11.720 5.367 1.00 10.00 C ATOM 909 O ALA A 60 -5.422 12.883 5.763 1.00 10.00 O ATOM 910 CB ALA A 60 -7.358 10.161 5.908 1.00 10.00 C ATOM 0 H ALA A 60 -6.908 9.469 3.593 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.469 11.933 4.713 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.493 10.689 6.852 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.322 9.794 5.556 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.682 9.319 6.057 1.00 10.00 H new ATOM 916 N VAL A 61 -4.366 10.939 5.359 1.00 10.00 N ATOM 917 CA VAL A 61 -3.052 11.479 5.691 1.00 10.00 C ATOM 918 C VAL A 61 -2.627 12.509 4.639 1.00 10.00 C ATOM 919 O VAL A 61 -2.214 13.615 4.984 1.00 10.00 O ATOM 920 CB VAL A 61 -2.025 10.345 5.835 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.617 10.920 6.028 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.360 9.474 7.052 1.00 10.00 C ATOM 0 H VAL A 61 -4.374 9.945 5.129 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.105 11.990 6.652 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.060 9.745 4.926 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.099 10.104 6.128 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.352 11.531 5.165 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.595 11.535 6.928 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.624 8.675 7.141 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.342 10.086 7.954 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.352 9.041 6.927 1.00 10.00 H new ATOM 932 N GLY A 62 -2.709 12.137 3.361 1.00 10.00 N ATOM 933 CA GLY A 62 -2.275 12.983 2.261 1.00 10.00 C ATOM 934 C GLY A 62 -0.816 12.698 1.917 1.00 10.00 C ATOM 935 O GLY A 62 -0.058 12.190 2.740 1.00 10.00 O ATOM 0 H GLY A 62 -3.081 11.235 3.064 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -2.903 12.806 1.388 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.394 14.032 2.532 1.00 10.00 H new ATOM 939 N HIS A 63 -0.431 12.980 0.671 1.00 10.00 N ATOM 940 CA HIS A 63 0.831 12.551 0.092 1.00 10.00 C ATOM 941 C HIS A 63 1.169 13.529 -1.042 1.00 10.00 C ATOM 942 O HIS A 63 0.262 13.972 -1.745 1.00 10.00 O ATOM 943 CB HIS A 63 0.662 11.102 -0.397 1.00 10.00 C ATOM 944 CG HIS A 63 0.757 10.055 0.697 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.278 9.470 1.399 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.911 9.455 1.119 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.259 8.539 2.214 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.596 8.475 2.070 1.00 10.00 N ATOM 0 H HIS A 63 -1.005 13.525 0.027 1.00 10.00 H new ATOM 0 HA HIS A 63 1.654 12.561 0.807 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.306 11.008 -0.889 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.423 10.894 -1.149 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.268 9.700 1.316 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.906 9.697 0.775 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.311 7.924 2.895 1.00 10.00 H new ATOM 956 N SER A 64 2.446 13.914 -1.182 1.00 10.00 N ATOM 957 CA SER A 64 2.862 14.961 -2.117 1.00 10.00 C ATOM 958 C SER A 64 3.056 14.432 -3.545 1.00 10.00 C ATOM 959 O SER A 64 2.722 13.290 -3.858 1.00 10.00 O ATOM 960 CB SER A 64 4.139 15.663 -1.626 1.00 10.00 C ATOM 961 OG SER A 64 4.153 16.973 -2.169 1.00 10.00 O ATOM 0 H SER A 64 3.215 13.507 -0.650 1.00 10.00 H new ATOM 0 HA SER A 64 2.051 15.688 -2.150 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.158 15.701 -0.537 1.00 10.00 H new ATOM 0 HB3 SER A 64 5.024 15.110 -1.941 1.00 10.00 H new ATOM 0 HG SER A 64 4.959 17.443 -1.868 1.00 10.00 H new ATOM 967 N THR A 65 3.641 15.265 -4.411 1.00 10.00 N ATOM 968 CA THR A 65 3.888 14.920 -5.807 1.00 10.00 C ATOM 969 C THR A 65 4.801 13.698 -5.912 1.00 10.00 C ATOM 970 O THR A 65 4.391 12.638 -6.386 1.00 10.00 O ATOM 971 CB THR A 65 4.467 16.127 -6.567 1.00 10.00 C ATOM 972 OG1 THR A 65 5.751 16.475 -6.080 1.00 10.00 O ATOM 973 CG2 THR A 65 3.561 17.359 -6.465 1.00 10.00 C ATOM 0 H THR A 65 3.957 16.201 -4.158 1.00 10.00 H new ATOM 0 HA THR A 65 2.938 14.658 -6.273 1.00 10.00 H new ATOM 0 HB THR A 65 4.537 15.821 -7.611 1.00 10.00 H new ATOM 0 HG1 THR A 65 6.094 17.243 -6.582 1.00 10.00 H new ATOM 0 HG21 THR A 65 4.009 18.186 -7.016 1.00 10.00 H new ATOM 0 HG22 THR A 65 2.584 17.128 -6.888 1.00 10.00 H new ATOM 0 HG23 THR A 65 3.446 17.640 -5.418 1.00 10.00 H new ATOM 981 N ASP A 66 6.026 13.846 -5.412 1.00 10.00 N ATOM 982 CA ASP A 66 7.003 12.778 -5.334 1.00 10.00 C ATOM 983 C ASP A 66 6.363 11.525 -4.741 1.00 10.00 C ATOM 984 O ASP A 66 6.627 10.427 -5.198 1.00 10.00 O ATOM 985 CB ASP A 66 8.217 13.240 -4.507 1.00 10.00 C ATOM 986 CG ASP A 66 9.544 13.153 -5.256 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.655 12.299 -6.161 1.00 10.00 O ATOM 988 OD2 ASP A 66 10.435 13.950 -4.892 1.00 10.00 O ATOM 0 H ASP A 66 6.368 14.733 -5.044 1.00 10.00 H new ATOM 0 HA ASP A 66 7.353 12.530 -6.336 1.00 10.00 H new ATOM 0 HB2 ASP A 66 8.057 14.270 -4.189 1.00 10.00 H new ATOM 0 HB3 ASP A 66 8.281 12.634 -3.603 1.00 10.00 H new ATOM 993 N ALA A 67 5.468 11.669 -3.759 1.00 10.00 N ATOM 994 CA ALA A 67 4.764 10.536 -3.177 1.00 10.00 C ATOM 995 C ALA A 67 3.812 9.852 -4.175 1.00 10.00 C ATOM 996 O ALA A 67 3.918 8.639 -4.376 1.00 10.00 O ATOM 997 CB ALA A 67 4.049 10.974 -1.902 1.00 10.00 C ATOM 0 H ALA A 67 5.217 12.570 -3.352 1.00 10.00 H new ATOM 0 HA ALA A 67 5.501 9.777 -2.917 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.523 10.123 -1.469 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.780 11.351 -1.186 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.333 11.761 -2.138 1.00 10.00 H new ATOM 1003 N ARG A 68 2.885 10.595 -4.805 1.00 10.00 N ATOM 1004 CA ARG A 68 1.926 10.020 -5.757 1.00 10.00 C ATOM 1005 C ARG A 68 2.602 9.513 -7.036 1.00 10.00 C ATOM 1006 O ARG A 68 1.986 8.816 -7.852 1.00 10.00 O ATOM 1007 CB ARG A 68 0.827 11.036 -6.102 1.00 10.00 C ATOM 1008 CG ARG A 68 1.344 12.229 -6.910 1.00 10.00 C ATOM 1009 CD ARG A 68 0.263 13.250 -7.283 1.00 10.00 C ATOM 1010 NE ARG A 68 -0.194 13.089 -8.676 1.00 10.00 N ATOM 1011 CZ ARG A 68 -0.815 14.034 -9.406 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -1.186 15.184 -8.832 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -1.061 13.831 -10.707 1.00 10.00 N ATOM 0 H ARG A 68 2.782 11.601 -4.669 1.00 10.00 H new ATOM 0 HA ARG A 68 1.474 9.158 -5.267 1.00 10.00 H new ATOM 0 HB2 ARG A 68 0.042 10.535 -6.668 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.373 11.399 -5.180 1.00 10.00 H new ATOM 0 HG2 ARG A 68 2.122 12.733 -6.336 1.00 10.00 H new ATOM 0 HG3 ARG A 68 1.811 11.860 -7.823 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.586 13.141 -6.608 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.653 14.258 -7.144 1.00 10.00 H new ATOM 0 HE ARG A 68 -0.026 12.188 -9.123 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -0.998 15.344 -7.842 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -1.657 15.901 -9.384 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -0.777 12.957 -11.149 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -1.532 14.551 -11.255 1.00 10.00 H new ATOM 1027 N GLU A 69 3.838 9.948 -7.266 1.00 10.00 N ATOM 1028 CA GLU A 69 4.678 9.466 -8.350 1.00 10.00 C ATOM 1029 C GLU A 69 5.464 8.228 -7.902 1.00 10.00 C ATOM 1030 O GLU A 69 5.519 7.227 -8.613 1.00 10.00 O ATOM 1031 CB GLU A 69 5.558 10.618 -8.828 1.00 10.00 C ATOM 1032 CG GLU A 69 4.765 11.603 -9.708 1.00 10.00 C ATOM 1033 CD GLU A 69 4.761 11.217 -11.181 1.00 10.00 C ATOM 1034 OE1 GLU A 69 4.549 10.018 -11.450 1.00 10.00 O ATOM 1035 OE2 GLU A 69 4.895 12.135 -12.015 1.00 10.00 O ATOM 0 H GLU A 69 4.289 10.659 -6.691 1.00 10.00 H new ATOM 0 HA GLU A 69 4.079 9.139 -9.200 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.968 11.146 -7.967 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.403 10.223 -9.392 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.737 11.655 -9.349 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.191 12.601 -9.601 1.00 10.00 H new ATOM 1042 N LEU A 70 6.026 8.260 -6.694 1.00 10.00 N ATOM 1043 CA LEU A 70 6.762 7.151 -6.112 1.00 10.00 C ATOM 1044 C LEU A 70 5.856 5.927 -6.096 1.00 10.00 C ATOM 1045 O LEU A 70 6.198 4.884 -6.640 1.00 10.00 O ATOM 1046 CB LEU A 70 7.289 7.552 -4.723 1.00 10.00 C ATOM 1047 CG LEU A 70 8.103 6.534 -3.905 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.680 5.447 -4.787 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.214 7.208 -3.094 1.00 10.00 C ATOM 0 H LEU A 70 5.978 9.077 -6.085 1.00 10.00 H new ATOM 0 HA LEU A 70 7.640 6.896 -6.705 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.908 8.440 -4.851 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.431 7.846 -4.119 1.00 10.00 H new ATOM 0 HG LEU A 70 7.409 6.073 -3.202 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.249 4.746 -4.176 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.870 4.917 -5.288 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.337 5.894 -5.533 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.763 6.453 -2.532 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.896 7.725 -3.770 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.775 7.927 -2.402 1.00 10.00 H new ATOM 1061 N SER A 71 4.666 6.066 -5.524 1.00 10.00 N ATOM 1062 CA SER A 71 3.643 5.031 -5.575 1.00 10.00 C ATOM 1063 C SER A 71 3.567 4.367 -6.952 1.00 10.00 C ATOM 1064 O SER A 71 3.631 3.146 -7.038 1.00 10.00 O ATOM 1065 CB SER A 71 2.294 5.588 -5.119 1.00 10.00 C ATOM 1066 OG SER A 71 1.752 6.508 -6.042 1.00 10.00 O ATOM 0 H SER A 71 4.384 6.901 -5.011 1.00 10.00 H new ATOM 0 HA SER A 71 3.925 4.242 -4.878 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.594 4.765 -4.977 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.414 6.076 -4.152 1.00 10.00 H new ATOM 0 HG SER A 71 0.890 6.836 -5.710 1.00 10.00 H new ATOM 1072 N LYS A 72 3.482 5.137 -8.041 1.00 10.00 N ATOM 1073 CA LYS A 72 3.487 4.562 -9.380 1.00 10.00 C ATOM 1074 C LYS A 72 4.717 3.681 -9.647 1.00 10.00 C ATOM 1075 O LYS A 72 4.585 2.613 -10.231 1.00 10.00 O ATOM 1076 CB LYS A 72 3.278 5.637 -10.451 1.00 10.00 C ATOM 1077 CG LYS A 72 1.801 6.058 -10.477 1.00 10.00 C ATOM 1078 CD LYS A 72 1.490 6.925 -11.705 1.00 10.00 C ATOM 1079 CE LYS A 72 2.051 8.341 -11.565 1.00 10.00 C ATOM 1080 NZ LYS A 72 1.428 9.111 -10.473 1.00 10.00 N ATOM 0 H LYS A 72 3.409 6.154 -8.017 1.00 10.00 H new ATOM 0 HA LYS A 72 2.634 3.887 -9.439 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.909 6.501 -10.242 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.575 5.254 -11.428 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.168 5.171 -10.486 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.562 6.611 -9.569 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.909 6.456 -12.595 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.411 6.975 -11.849 1.00 10.00 H new ATOM 0 HE2 LYS A 72 3.126 8.283 -11.392 1.00 10.00 H new ATOM 0 HE3 LYS A 72 1.908 8.875 -12.504 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 1.435 10.123 -10.714 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.447 8.793 -10.340 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 1.963 8.961 -9.594 1.00 10.00 H new ATOM 1094 N THR A 73 5.895 4.062 -9.162 1.00 10.00 N ATOM 1095 CA THR A 73 7.104 3.240 -9.223 1.00 10.00 C ATOM 1096 C THR A 73 6.993 1.943 -8.391 1.00 10.00 C ATOM 1097 O THR A 73 7.788 1.029 -8.596 1.00 10.00 O ATOM 1098 CB THR A 73 8.323 4.124 -8.874 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.606 4.953 -9.983 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.597 3.367 -8.489 1.00 10.00 C ATOM 0 H THR A 73 6.041 4.964 -8.708 1.00 10.00 H new ATOM 0 HA THR A 73 7.242 2.869 -10.239 1.00 10.00 H new ATOM 0 HB THR A 73 8.038 4.686 -7.985 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.377 5.522 -9.778 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.390 4.080 -8.264 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.403 2.751 -7.611 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.906 2.730 -9.318 1.00 10.00 H new ATOM 1108 N PHE A 74 6.002 1.823 -7.498 1.00 10.00 N ATOM 1109 CA PHE A 74 5.720 0.621 -6.711 1.00 10.00 C ATOM 1110 C PHE A 74 4.417 -0.043 -7.156 1.00 10.00 C ATOM 1111 O PHE A 74 3.992 -1.025 -6.545 1.00 10.00 O ATOM 1112 CB PHE A 74 5.605 0.975 -5.221 1.00 10.00 C ATOM 1113 CG PHE A 74 6.923 1.183 -4.513 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.830 0.111 -4.422 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.178 2.377 -3.816 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.030 0.261 -3.711 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.367 2.516 -3.082 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.302 1.468 -3.053 1.00 10.00 C ATOM 0 H PHE A 74 5.355 2.586 -7.299 1.00 10.00 H new ATOM 0 HA PHE A 74 6.546 -0.073 -6.870 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.009 1.883 -5.123 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.059 0.179 -4.715 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.602 -0.830 -4.901 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.462 3.185 -3.845 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.741 -0.551 -3.671 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.563 3.429 -2.539 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.234 1.593 -2.522 1.00 10.00 H new ATOM 1128 N ILE A 75 3.749 0.497 -8.178 1.00 10.00 N ATOM 1129 CA ILE A 75 2.521 -0.105 -8.671 1.00 10.00 C ATOM 1130 C ILE A 75 2.864 -1.502 -9.201 1.00 10.00 C ATOM 1131 O ILE A 75 3.843 -1.666 -9.927 1.00 10.00 O ATOM 1132 CB ILE A 75 1.890 0.828 -9.723 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.356 0.834 -9.736 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.443 0.585 -11.133 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.248 -0.533 -10.008 1.00 10.00 C ATOM 0 H ILE A 75 4.039 1.341 -8.672 1.00 10.00 H new ATOM 0 HA ILE A 75 1.772 -0.228 -7.888 1.00 10.00 H new ATOM 0 HB ILE A 75 2.192 1.825 -9.401 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.007 1.199 -8.775 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.009 1.535 -10.495 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.965 1.269 -11.834 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.519 0.756 -11.136 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.239 -0.443 -11.432 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.335 -0.458 -10.003 1.00 10.00 H new ATOM 0 HD12 ILE A 75 0.087 -0.892 -10.981 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.071 -1.232 -9.235 1.00 10.00 H new ATOM 1147 N ILE A 76 2.080 -2.509 -8.819 1.00 10.00 N ATOM 1148 CA ILE A 76 2.268 -3.882 -9.272 1.00 10.00 C ATOM 1149 C ILE A 76 1.125 -4.313 -10.189 1.00 10.00 C ATOM 1150 O ILE A 76 1.346 -5.026 -11.164 1.00 10.00 O ATOM 1151 CB ILE A 76 2.448 -4.815 -8.065 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.381 -4.554 -6.988 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.863 -4.621 -7.496 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.333 -5.662 -5.944 1.00 10.00 C ATOM 0 H ILE A 76 1.292 -2.392 -8.182 1.00 10.00 H new ATOM 0 HA ILE A 76 3.179 -3.945 -9.867 1.00 10.00 H new ATOM 0 HB ILE A 76 2.323 -5.848 -8.390 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.588 -3.603 -6.497 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.404 -4.462 -7.462 1.00 10.00 H new ATOM 0 HG21 ILE A 76 4.003 -5.278 -6.638 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.600 -4.862 -8.262 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.991 -3.585 -7.184 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.565 -5.433 -5.205 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.099 -6.609 -6.429 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.301 -5.738 -5.449 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.099 -3.875 -9.897 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.265 -4.193 -10.689 1.00 10.00 C ATOM 1168 C GLY A 77 -2.448 -3.444 -10.113 1.00 10.00 C ATOM 1169 O GLY A 77 -2.297 -2.613 -9.221 1.00 10.00 O ATOM 0 H GLY A 77 -0.301 -3.283 -9.092 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -1.106 -3.910 -11.730 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.452 -5.267 -10.676 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.623 -3.751 -10.638 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.874 -3.118 -10.303 1.00 10.00 C ATOM 1175 C GLU A 78 -5.765 -4.096 -9.543 1.00 10.00 C ATOM 1176 O GLU A 78 -5.491 -5.294 -9.437 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.534 -2.581 -11.582 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.410 -1.065 -11.725 1.00 10.00 C ATOM 1179 CD GLU A 78 -6.108 -0.546 -12.975 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.054 -1.256 -14.001 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.710 0.544 -12.867 1.00 10.00 O ATOM 0 H GLU A 78 -3.728 -4.483 -11.341 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.704 -2.267 -9.643 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.079 -3.061 -12.448 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.589 -2.856 -11.583 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.837 -0.583 -10.846 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.356 -0.790 -11.759 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.843 -3.546 -9.004 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.860 -4.289 -8.294 1.00 10.00 C ATOM 1190 C LEU A 79 -8.600 -5.192 -9.284 1.00 10.00 C ATOM 1191 O LEU A 79 -9.017 -4.729 -10.346 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.810 -3.274 -7.658 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.972 -3.950 -6.925 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.550 -4.411 -5.527 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.130 -2.960 -6.877 1.00 10.00 C ATOM 0 H LEU A 79 -7.035 -2.545 -9.052 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.428 -4.921 -7.518 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.256 -2.649 -6.958 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.205 -2.614 -8.431 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.285 -4.849 -7.455 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.395 -4.887 -5.030 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.730 -5.124 -5.611 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.224 -3.550 -4.943 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.975 -3.414 -6.359 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.818 -2.061 -6.345 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.425 -2.696 -7.892 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.789 -6.463 -8.935 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.489 -7.432 -9.774 1.00 10.00 C ATOM 1209 C HIS A 80 -10.890 -6.968 -10.189 1.00 10.00 C ATOM 1210 O HIS A 80 -11.609 -6.366 -9.391 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.539 -8.778 -9.053 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.582 -9.977 -9.960 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.688 -10.733 -10.256 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.505 -10.571 -10.562 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.294 -11.737 -11.053 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -8.971 -11.676 -11.277 1.00 10.00 N ATOM 0 H HIS A 80 -8.457 -6.852 -8.053 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.929 -7.534 -10.704 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.666 -8.860 -8.406 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.417 -8.796 -8.407 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.478 -10.243 -10.496 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -10.951 -12.492 -11.459 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.418 -12.310 -11.854 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.312 -7.273 -11.427 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.644 -6.943 -11.900 1.00 10.00 C ATOM 1226 C PRO A 81 -13.753 -7.764 -11.224 1.00 10.00 C ATOM 1227 O PRO A 81 -14.923 -7.496 -11.471 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.609 -7.119 -13.418 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.482 -8.123 -13.646 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.517 -7.853 -12.498 1.00 10.00 C ATOM 0 HA PRO A 81 -12.900 -5.917 -11.634 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.560 -7.492 -13.799 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.411 -6.175 -13.925 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.850 -9.149 -13.626 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.004 -7.974 -14.614 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.035 -8.774 -12.170 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.725 -7.171 -12.808 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.397 -8.744 -10.385 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.341 -9.505 -9.568 1.00 10.00 C ATOM 1240 C ASP A 82 -14.715 -8.741 -8.287 1.00 10.00 C ATOM 1241 O ASP A 82 -15.819 -8.891 -7.775 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.725 -10.872 -9.241 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.741 -11.839 -8.653 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.424 -12.494 -9.470 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.763 -11.953 -7.411 1.00 10.00 O ATOM 0 H ASP A 82 -12.427 -9.033 -10.255 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.265 -9.650 -10.128 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.300 -11.302 -10.148 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.904 -10.739 -8.536 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.785 -7.925 -7.768 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.999 -7.138 -6.556 1.00 10.00 C ATOM 1252 C ASP A 83 -14.981 -5.993 -6.835 1.00 10.00 C ATOM 1253 O ASP A 83 -15.972 -5.826 -6.125 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.638 -6.629 -6.059 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.735 -5.716 -4.843 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.423 -4.680 -4.924 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.045 -6.043 -3.858 1.00 10.00 O ATOM 0 H ASP A 83 -12.862 -7.796 -8.183 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.446 -7.751 -5.773 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.008 -7.484 -5.812 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.143 -6.092 -6.868 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.664 -5.207 -7.868 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.407 -4.008 -8.241 1.00 10.00 C ATOM 1264 C ARG A 84 -16.824 -4.315 -8.738 1.00 10.00 C ATOM 1265 O ARG A 84 -17.058 -5.462 -9.174 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.624 -3.232 -9.309 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.616 -3.988 -10.645 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.697 -3.331 -11.683 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.282 -3.321 -11.262 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.338 -2.544 -11.824 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.648 -1.776 -12.874 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.088 -2.530 -11.355 1.00 10.00 N ATOM 0 H ARG A 84 -13.868 -5.393 -8.478 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.518 -3.401 -7.343 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.070 -2.247 -9.447 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.600 -3.074 -8.971 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.293 -5.015 -10.476 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.631 -4.034 -11.040 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.787 -3.862 -12.630 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.027 -2.307 -11.859 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.004 -3.940 -10.500 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.598 -1.780 -13.246 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.935 -1.186 -13.302 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.836 -3.115 -10.558 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.385 -1.935 -11.794 1.00 10.00 H new