USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 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 39 HIS : no HD1:sc= -1.88 X(o=-1.2,f=-0.79) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.65 K(o=-1.2,f=-6.1!) USER MOD Set 2.1: A 57 ASN : amide:sc= -0.369 X(o=1.1,f=0.9) USER MOD Set 2.2: A 61 HIS : no HE2:sc= 1.44 K(o=1.1,f=-5.8!) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -1.81 K(o=-1.6,f=-8.5!) USER MOD Set 3.2: A 20 SER OG : rot 56:sc= 0.186! USER MOD Single : A 6 TYR OH : rot 63:sc= 1.28 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0965 USER MOD Single : A 13 GLN : amide:sc= -0.0739 K(o=-0.074,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 1.01 (180deg=0.804) USER MOD Single : A 16 ASN : amide:sc= 0.504 K(o=0.5,f=-3.1!) USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.184 USER MOD Single : A 26 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.13) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 2.4 (180deg=1.8) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 87:sc= 1.8 USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= 2.13 (180deg=0.997) USER MOD Single : A 49 GLN : amide:sc= 0.914 K(o=0.91,f=-0.85) USER MOD Single : A 55 THR OG1 : rot 73:sc= 1.86 USER MOD Single : A 64 SER OG : rot -26:sc= 0.326 USER MOD Single : A 65 THR OG1 : rot 66:sc= 1.29 USER MOD Single : A 71 SER OG : rot -51:sc= 1.25 USER MOD Single : A 72 LYS NZ :NH3+ -132:sc= 0.729 (180deg=-3.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.0042) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -7.288 13.199 -1.396 1.00 10.00 N ATOM 52 CA TYR A 6 -8.060 11.973 -1.401 1.00 10.00 C ATOM 53 C TYR A 6 -8.109 11.335 -2.775 1.00 10.00 C ATOM 54 O TYR A 6 -7.948 11.951 -3.826 1.00 10.00 O ATOM 55 CB TYR A 6 -9.481 12.098 -0.820 1.00 10.00 C ATOM 56 CG TYR A 6 -9.631 12.000 0.672 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.754 10.724 1.226 1.00 10.00 C ATOM 58 CD2 TYR A 6 -9.835 13.132 1.479 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.876 10.557 2.607 1.00 10.00 C ATOM 60 CE2 TYR A 6 -9.969 12.973 2.869 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.943 11.687 3.439 1.00 10.00 C ATOM 62 OH TYR A 6 -9.784 11.550 4.781 1.00 10.00 O ATOM 0 HA TYR A 6 -7.514 11.318 -0.721 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.891 13.057 -1.137 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.099 11.322 -1.272 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -9.755 9.858 0.580 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -9.888 14.115 1.035 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.919 9.565 3.033 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.092 13.840 3.501 1.00 10.00 H new ATOM 0 HH TYR A 6 -8.885 11.210 4.971 1.00 10.00 H new ATOM 72 N TYR A 7 -8.280 10.027 -2.681 1.00 10.00 N ATOM 73 CA TYR A 7 -8.160 9.050 -3.704 1.00 10.00 C ATOM 74 C TYR A 7 -9.262 8.028 -3.451 1.00 10.00 C ATOM 75 O TYR A 7 -9.489 7.575 -2.330 1.00 10.00 O ATOM 76 CB TYR A 7 -6.750 8.499 -3.516 1.00 10.00 C ATOM 77 CG TYR A 7 -5.618 9.161 -4.302 1.00 10.00 C ATOM 78 CD1 TYR A 7 -5.852 10.160 -5.276 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.294 8.905 -3.905 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.792 10.927 -5.783 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.232 9.671 -4.418 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.478 10.668 -5.372 1.00 10.00 C ATOM 83 OH TYR A 7 -2.449 11.362 -5.935 1.00 10.00 O ATOM 0 H TYR A 7 -8.531 9.600 -1.789 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.279 9.399 -4.730 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.504 8.562 -2.456 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -6.766 7.441 -3.777 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.856 10.334 -5.633 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.091 8.113 -3.200 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.989 11.718 -6.491 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.224 9.490 -4.076 1.00 10.00 H new ATOM 0 HH TYR A 7 -1.601 11.067 -5.542 1.00 10.00 H new ATOM 93 N THR A 8 -10.019 7.753 -4.502 1.00 10.00 N ATOM 94 CA THR A 8 -11.259 7.013 -4.434 1.00 10.00 C ATOM 95 C THR A 8 -10.954 5.524 -4.350 1.00 10.00 C ATOM 96 O THR A 8 -9.944 5.080 -4.887 1.00 10.00 O ATOM 97 CB THR A 8 -12.081 7.355 -5.681 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.233 7.298 -6.814 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.648 8.772 -5.555 1.00 10.00 C ATOM 0 H THR A 8 -9.777 8.048 -5.448 1.00 10.00 H new ATOM 0 HA THR A 8 -11.833 7.281 -3.547 1.00 10.00 H new ATOM 0 HB THR A 8 -12.902 6.645 -5.784 1.00 10.00 H new ATOM 0 HG1 THR A 8 -11.748 7.513 -7.619 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.232 9.011 -6.444 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.288 8.831 -4.674 1.00 10.00 H new ATOM 0 HG23 THR A 8 -11.829 9.484 -5.457 1.00 10.00 H new ATOM 107 N LEU A 9 -11.831 4.737 -3.721 1.00 10.00 N ATOM 108 CA LEU A 9 -11.761 3.281 -3.805 1.00 10.00 C ATOM 109 C LEU A 9 -11.623 2.835 -5.258 1.00 10.00 C ATOM 110 O LEU A 9 -10.795 1.978 -5.539 1.00 10.00 O ATOM 111 CB LEU A 9 -12.944 2.675 -3.048 1.00 10.00 C ATOM 112 CG LEU A 9 -13.232 1.167 -3.160 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.865 0.749 -4.494 1.00 10.00 C ATOM 114 CD2 LEU A 9 -12.002 0.325 -2.805 1.00 10.00 C ATOM 0 H LEU A 9 -12.598 5.087 -3.148 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.864 2.902 -3.315 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.804 2.902 -1.991 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.841 3.202 -3.371 1.00 10.00 H new ATOM 0 HG LEU A 9 -13.997 0.958 -2.412 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.037 -0.327 -4.494 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -14.815 1.268 -4.624 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -13.194 1.009 -5.313 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -12.247 -0.733 -2.896 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -11.186 0.569 -3.485 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -11.697 0.540 -1.781 1.00 10.00 H new ATOM 126 N GLU A 10 -12.356 3.466 -6.184 1.00 10.00 N ATOM 127 CA GLU A 10 -12.134 3.312 -7.619 1.00 10.00 C ATOM 128 C GLU A 10 -10.639 3.293 -7.933 1.00 10.00 C ATOM 129 O GLU A 10 -10.110 2.305 -8.449 1.00 10.00 O ATOM 130 CB GLU A 10 -12.794 4.473 -8.378 1.00 10.00 C ATOM 131 CG GLU A 10 -12.502 4.402 -9.887 1.00 10.00 C ATOM 132 CD GLU A 10 -12.992 5.620 -10.651 1.00 10.00 C ATOM 133 OE1 GLU A 10 -13.716 6.441 -10.052 1.00 10.00 O ATOM 134 OE2 GLU A 10 -12.577 5.704 -11.830 1.00 10.00 O ATOM 0 H GLU A 10 -13.122 4.099 -5.953 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.576 2.367 -7.934 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -13.871 4.450 -8.214 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.431 5.421 -7.981 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -11.428 4.295 -10.038 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.972 3.509 -10.300 1.00 10.00 H new ATOM 141 N GLU A 11 -9.967 4.413 -7.653 1.00 10.00 N ATOM 142 CA GLU A 11 -8.561 4.528 -7.975 1.00 10.00 C ATOM 143 C GLU A 11 -7.790 3.477 -7.221 1.00 10.00 C ATOM 144 O GLU A 11 -6.928 2.829 -7.793 1.00 10.00 O ATOM 145 CB GLU A 11 -7.970 5.902 -7.629 1.00 10.00 C ATOM 146 CG GLU A 11 -8.206 6.966 -8.706 1.00 10.00 C ATOM 147 CD GLU A 11 -7.385 6.712 -9.974 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.761 5.852 -10.807 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.322 7.349 -10.140 1.00 10.00 O ATOM 0 H GLU A 11 -10.375 5.236 -7.210 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.476 4.394 -9.053 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.402 6.247 -6.690 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -6.898 5.795 -7.466 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.265 6.990 -8.962 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -7.953 7.947 -8.304 1.00 10.00 H new ATOM 156 N ILE A 12 -8.056 3.329 -5.933 1.00 10.00 N ATOM 157 CA ILE A 12 -7.214 2.509 -5.104 1.00 10.00 C ATOM 158 C ILE A 12 -7.224 1.088 -5.652 1.00 10.00 C ATOM 159 O ILE A 12 -6.158 0.540 -5.921 1.00 10.00 O ATOM 160 CB ILE A 12 -7.628 2.650 -3.632 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.382 4.092 -3.155 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.824 1.710 -2.739 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.277 4.479 -1.983 1.00 10.00 C ATOM 0 H ILE A 12 -8.842 3.765 -5.451 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.175 2.836 -5.131 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.686 2.396 -3.562 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.338 4.201 -2.862 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.555 4.780 -3.983 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.140 1.833 -1.703 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.994 0.679 -3.050 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.763 1.945 -2.825 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.063 5.506 -1.685 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.322 4.398 -2.281 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.086 3.811 -1.143 1.00 10.00 H new ATOM 175 N GLN A 13 -8.418 0.551 -5.917 1.00 10.00 N ATOM 176 CA GLN A 13 -8.577 -0.726 -6.606 1.00 10.00 C ATOM 177 C GLN A 13 -7.765 -0.730 -7.901 1.00 10.00 C ATOM 178 O GLN A 13 -6.937 -1.603 -8.142 1.00 10.00 O ATOM 179 CB GLN A 13 -10.061 -0.950 -6.930 1.00 10.00 C ATOM 180 CG GLN A 13 -10.840 -1.444 -5.702 1.00 10.00 C ATOM 181 CD GLN A 13 -10.994 -2.962 -5.616 1.00 10.00 C ATOM 182 OE1 GLN A 13 -10.466 -3.661 -6.509 1.00 10.00 O ATOM 183 NE2 GLN A 13 -11.695 -3.391 -4.676 1.00 10.00 N ATOM 0 H GLN A 13 -9.301 0.992 -5.658 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.217 -1.527 -5.960 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.500 -0.019 -7.290 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.152 -1.678 -7.736 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.336 -1.091 -4.802 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.831 -0.991 -5.710 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -12.085 -2.742 -3.993 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -11.878 -4.391 -4.591 1.00 10.00 H new ATOM 190 N LYS A 14 -8.013 0.272 -8.743 1.00 10.00 N ATOM 191 CA LYS A 14 -7.420 0.399 -10.064 1.00 10.00 C ATOM 192 C LYS A 14 -5.880 0.443 -9.994 1.00 10.00 C ATOM 193 O LYS A 14 -5.193 -0.089 -10.868 1.00 10.00 O ATOM 194 CB LYS A 14 -8.082 1.627 -10.703 1.00 10.00 C ATOM 195 CG LYS A 14 -7.722 1.938 -12.154 1.00 10.00 C ATOM 196 CD LYS A 14 -8.950 2.463 -12.921 1.00 10.00 C ATOM 197 CE LYS A 14 -9.475 3.797 -12.355 1.00 10.00 C ATOM 198 NZ LYS A 14 -10.843 4.110 -12.820 1.00 10.00 N ATOM 0 H LYS A 14 -8.649 1.036 -8.515 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.607 -0.470 -10.695 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.163 1.498 -10.643 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.832 2.499 -10.098 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -6.924 2.680 -12.185 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.341 1.040 -12.640 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -8.689 2.595 -13.971 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.745 1.718 -12.882 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -9.466 3.755 -11.266 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -8.802 4.603 -12.648 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -11.163 4.999 -12.385 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -10.843 4.211 -13.855 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.487 3.340 -12.548 1.00 10.00 H new ATOM 212 N HIS A 15 -5.322 1.039 -8.940 1.00 10.00 N ATOM 213 CA HIS A 15 -3.903 1.046 -8.640 1.00 10.00 C ATOM 214 C HIS A 15 -3.481 -0.283 -8.006 1.00 10.00 C ATOM 215 O HIS A 15 -3.013 -0.347 -6.870 1.00 10.00 O ATOM 216 CB HIS A 15 -3.535 2.244 -7.769 1.00 10.00 C ATOM 217 CG HIS A 15 -3.373 3.562 -8.489 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.172 4.130 -8.844 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.343 4.487 -8.764 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.419 5.343 -9.359 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.734 5.601 -9.347 1.00 10.00 N ATOM 0 H HIS A 15 -5.874 1.548 -8.249 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.349 1.151 -9.573 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.303 2.362 -7.005 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.603 2.019 -7.251 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.399 4.375 -8.565 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.663 6.018 -9.732 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -4.197 6.441 -9.694 1.00 10.00 H new ATOM 229 N ASN A 16 -3.570 -1.340 -8.806 1.00 10.00 N ATOM 230 CA ASN A 16 -2.940 -2.628 -8.528 1.00 10.00 C ATOM 231 C ASN A 16 -2.609 -3.386 -9.816 1.00 10.00 C ATOM 232 O ASN A 16 -2.508 -4.610 -9.803 1.00 10.00 O ATOM 233 CB ASN A 16 -3.776 -3.459 -7.542 1.00 10.00 C ATOM 234 CG ASN A 16 -5.094 -3.993 -8.100 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.382 -3.884 -9.291 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.908 -4.584 -7.229 1.00 10.00 N ATOM 0 H ASN A 16 -4.092 -1.326 -9.682 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.986 -2.434 -8.038 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.175 -4.302 -7.201 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.992 -2.847 -6.666 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.801 -4.963 -7.542 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.638 -4.658 -6.248 1.00 10.00 H new ATOM 290 N SER A 20 -0.216 2.029 -10.635 1.00 10.00 N ATOM 291 CA SER A 20 0.794 1.903 -9.605 1.00 10.00 C ATOM 292 C SER A 20 0.243 0.770 -8.726 1.00 10.00 C ATOM 293 O SER A 20 -0.739 0.123 -9.106 1.00 10.00 O ATOM 294 CB SER A 20 1.010 3.222 -8.831 1.00 10.00 C ATOM 295 OG SER A 20 0.447 4.335 -9.494 1.00 10.00 O ATOM 0 HA SER A 20 1.787 1.683 -9.997 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.570 3.133 -7.838 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.078 3.388 -8.692 1.00 10.00 H new ATOM 0 HG SER A 20 -0.505 4.170 -9.660 1.00 10.00 H new ATOM 301 N THR A 21 0.836 0.545 -7.563 1.00 10.00 N ATOM 302 CA THR A 21 0.419 -0.464 -6.599 1.00 10.00 C ATOM 303 C THR A 21 0.170 0.200 -5.238 1.00 10.00 C ATOM 304 O THR A 21 1.113 0.523 -4.512 1.00 10.00 O ATOM 305 CB THR A 21 1.473 -1.573 -6.579 1.00 10.00 C ATOM 306 OG1 THR A 21 1.698 -1.983 -7.914 1.00 10.00 O ATOM 307 CG2 THR A 21 1.011 -2.791 -5.781 1.00 10.00 C ATOM 0 H THR A 21 1.649 1.078 -7.253 1.00 10.00 H new ATOM 0 HA THR A 21 -0.527 -0.930 -6.876 1.00 10.00 H new ATOM 0 HB THR A 21 2.374 -1.181 -6.108 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.956 -2.928 -7.927 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.791 -3.552 -5.795 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.809 -2.496 -4.751 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.102 -3.195 -6.227 1.00 10.00 H new ATOM 315 N TRP A 22 -1.113 0.440 -4.943 1.00 10.00 N ATOM 316 CA TRP A 22 -1.642 1.200 -3.815 1.00 10.00 C ATOM 317 C TRP A 22 -2.231 0.267 -2.765 1.00 10.00 C ATOM 318 O TRP A 22 -2.656 -0.830 -3.099 1.00 10.00 O ATOM 319 CB TRP A 22 -2.737 2.133 -4.345 1.00 10.00 C ATOM 320 CG TRP A 22 -2.245 3.393 -4.999 1.00 10.00 C ATOM 321 CD1 TRP A 22 -0.983 3.617 -5.419 1.00 10.00 C ATOM 322 CD2 TRP A 22 -2.986 4.595 -5.358 1.00 10.00 C ATOM 323 NE1 TRP A 22 -0.894 4.842 -6.035 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.114 5.489 -6.050 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.309 5.027 -5.152 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.559 6.724 -6.553 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.783 6.223 -5.712 1.00 10.00 C ATOM 328 CH2 TRP A 22 -3.922 7.051 -6.448 1.00 10.00 C ATOM 0 H TRP A 22 -1.861 0.079 -5.534 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.839 1.771 -3.348 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.344 1.583 -5.064 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.392 2.405 -3.517 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.159 2.931 -5.289 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.036 5.225 -6.431 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -4.974 4.425 -4.550 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -1.864 7.411 -7.013 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -5.816 6.508 -5.576 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.305 7.937 -6.932 1.00 10.00 H new ATOM 339 N LEU A 23 -2.298 0.682 -1.498 1.00 10.00 N ATOM 340 CA LEU A 23 -3.059 -0.040 -0.485 1.00 10.00 C ATOM 341 C LEU A 23 -3.534 0.911 0.608 1.00 10.00 C ATOM 342 O LEU A 23 -2.969 1.996 0.752 1.00 10.00 O ATOM 343 CB LEU A 23 -2.292 -1.242 0.101 1.00 10.00 C ATOM 344 CG LEU A 23 -0.852 -1.515 -0.350 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.135 -0.738 0.509 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.575 -3.013 -0.210 1.00 10.00 C ATOM 0 H LEU A 23 -1.830 1.520 -1.151 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.934 -0.459 -0.982 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.277 -1.123 1.184 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.876 -2.137 -0.113 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.733 -1.198 -1.386 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.151 -0.945 0.173 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.066 0.329 0.419 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.028 -1.041 1.551 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.446 -3.225 -0.527 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.701 -3.311 0.831 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -1.272 -3.572 -0.834 1.00 10.00 H new ATOM 358 N ILE A 24 -4.570 0.510 1.359 1.00 10.00 N ATOM 359 CA ILE A 24 -5.098 1.287 2.480 1.00 10.00 C ATOM 360 C ILE A 24 -4.556 0.720 3.779 1.00 10.00 C ATOM 361 O ILE A 24 -4.790 -0.451 4.075 1.00 10.00 O ATOM 362 CB ILE A 24 -6.643 1.291 2.542 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.331 1.449 1.178 1.00 10.00 C ATOM 364 CG2 ILE A 24 -7.122 2.382 3.513 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.720 0.811 1.158 1.00 10.00 C ATOM 0 H ILE A 24 -5.065 -0.368 1.201 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.777 2.318 2.332 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.935 0.305 2.903 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.415 2.508 0.935 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.712 0.993 0.405 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.211 2.381 3.553 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.722 2.185 4.508 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.773 3.355 3.168 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.169 0.947 0.174 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.634 -0.254 1.374 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.349 1.284 1.912 1.00 10.00 H new ATOM 377 N LEU A 25 -3.856 1.562 4.540 1.00 10.00 N ATOM 378 CA LEU A 25 -3.327 1.258 5.859 1.00 10.00 C ATOM 379 C LEU A 25 -3.840 2.371 6.783 1.00 10.00 C ATOM 380 O LEU A 25 -3.390 3.506 6.700 1.00 10.00 O ATOM 381 CB LEU A 25 -1.791 1.210 5.803 1.00 10.00 C ATOM 382 CG LEU A 25 -1.142 -0.141 5.448 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.579 -0.678 4.090 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.386 -0.013 5.404 1.00 10.00 C ATOM 0 H LEU A 25 -3.636 2.511 4.237 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.651 0.285 6.228 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.456 1.948 5.074 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.407 1.524 6.774 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.468 -0.829 6.228 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.086 -1.632 3.900 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.660 -0.821 4.086 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.304 0.034 3.312 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.825 -0.978 5.152 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.668 0.722 4.650 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.752 0.308 6.379 1.00 10.00 H new ATOM 396 N HIS A 26 -4.816 2.086 7.643 1.00 10.00 N ATOM 397 CA HIS A 26 -5.315 3.040 8.636 1.00 10.00 C ATOM 398 C HIS A 26 -5.919 4.294 7.997 1.00 10.00 C ATOM 399 O HIS A 26 -5.607 5.417 8.390 1.00 10.00 O ATOM 400 CB HIS A 26 -4.230 3.426 9.659 1.00 10.00 C ATOM 401 CG HIS A 26 -3.423 2.287 10.224 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.716 1.564 11.359 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.173 1.912 9.807 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.666 0.762 11.607 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.705 0.935 10.685 1.00 10.00 N ATOM 0 H HIS A 26 -5.287 1.182 7.672 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.116 2.525 9.167 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.546 4.131 9.186 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.708 3.952 10.485 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.644 2.303 8.951 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.604 0.072 12.436 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.810 0.448 10.637 1.00 10.00 H new ATOM 413 N TYR A 27 -6.821 4.106 7.030 1.00 10.00 N ATOM 414 CA TYR A 27 -7.536 5.200 6.375 1.00 10.00 C ATOM 415 C TYR A 27 -6.579 6.238 5.777 1.00 10.00 C ATOM 416 O TYR A 27 -6.936 7.413 5.660 1.00 10.00 O ATOM 417 CB TYR A 27 -8.536 5.864 7.336 1.00 10.00 C ATOM 418 CG TYR A 27 -9.631 4.958 7.858 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.389 4.097 8.945 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.926 5.053 7.319 1.00 10.00 C ATOM 421 CE1 TYR A 27 -10.425 3.295 9.455 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.972 4.306 7.877 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.721 3.408 8.925 1.00 10.00 C ATOM 424 OH TYR A 27 -12.720 2.596 9.370 1.00 10.00 O ATOM 0 H TYR A 27 -7.076 3.183 6.678 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.096 4.764 5.548 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.985 6.267 8.186 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.999 6.709 6.826 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -8.405 4.052 9.388 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.114 5.701 6.476 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -10.225 2.594 10.252 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.977 4.422 7.498 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.551 2.810 8.897 1.00 10.00 H new ATOM 434 N LYS A 28 -5.379 5.817 5.376 1.00 10.00 N ATOM 435 CA LYS A 28 -4.534 6.569 4.457 1.00 10.00 C ATOM 436 C LYS A 28 -4.118 5.620 3.335 1.00 10.00 C ATOM 437 O LYS A 28 -4.325 4.410 3.461 1.00 10.00 O ATOM 438 CB LYS A 28 -3.334 7.211 5.173 1.00 10.00 C ATOM 439 CG LYS A 28 -3.705 8.059 6.389 1.00 10.00 C ATOM 440 CD LYS A 28 -4.376 9.381 6.011 1.00 10.00 C ATOM 441 CE LYS A 28 -5.186 9.963 7.179 1.00 10.00 C ATOM 442 NZ LYS A 28 -6.632 9.739 6.982 1.00 10.00 N ATOM 0 H LYS A 28 -4.966 4.937 5.684 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.086 7.409 4.035 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.651 6.423 5.490 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.793 7.835 4.461 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.375 7.489 7.033 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.806 8.267 6.969 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.616 10.099 5.702 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.033 9.224 5.156 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.867 9.502 8.114 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.988 11.031 7.267 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -7.099 9.652 7.907 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -7.040 10.542 6.462 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.777 8.865 6.438 1.00 10.00 H new ATOM 456 N VAL A 29 -3.577 6.167 2.241 1.00 10.00 N ATOM 457 CA VAL A 29 -3.287 5.425 1.012 1.00 10.00 C ATOM 458 C VAL A 29 -1.788 5.440 0.719 1.00 10.00 C ATOM 459 O VAL A 29 -1.140 6.486 0.793 1.00 10.00 O ATOM 460 CB VAL A 29 -4.102 5.974 -0.165 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.697 5.377 -1.510 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.577 5.632 0.012 1.00 10.00 C ATOM 0 H VAL A 29 -3.325 7.154 2.185 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.586 4.387 1.155 1.00 10.00 H new ATOM 0 HB VAL A 29 -3.914 7.048 -0.168 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.312 5.808 -2.300 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.648 5.599 -1.706 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.841 4.297 -1.487 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.146 6.027 -0.830 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.697 4.549 0.055 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -5.945 6.075 0.938 1.00 10.00 H new ATOM 472 N TYR A 30 -1.266 4.253 0.401 1.00 10.00 N ATOM 473 CA TYR A 30 0.138 3.897 0.442 1.00 10.00 C ATOM 474 C TYR A 30 0.516 3.337 -0.917 1.00 10.00 C ATOM 475 O TYR A 30 0.018 2.272 -1.268 1.00 10.00 O ATOM 476 CB TYR A 30 0.283 2.821 1.527 1.00 10.00 C ATOM 477 CG TYR A 30 0.143 3.395 2.915 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.139 3.733 3.364 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.262 3.720 3.701 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.306 4.383 4.587 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.075 4.311 4.964 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.208 4.630 5.416 1.00 10.00 C ATOM 483 OH TYR A 30 -0.390 5.146 6.663 1.00 10.00 O ATOM 0 H TYR A 30 -1.852 3.477 0.092 1.00 10.00 H new ATOM 0 HA TYR A 30 0.783 4.747 0.666 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.472 2.050 1.376 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.255 2.338 1.431 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.002 3.490 2.762 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.259 3.517 3.338 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.292 4.698 4.896 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.930 4.520 5.589 1.00 10.00 H new ATOM 0 HH TYR A 30 0.479 5.253 7.103 1.00 10.00 H new ATOM 493 N ASP A 31 1.372 4.034 -1.667 1.00 10.00 N ATOM 494 CA ASP A 31 1.894 3.554 -2.939 1.00 10.00 C ATOM 495 C ASP A 31 3.240 2.933 -2.650 1.00 10.00 C ATOM 496 O ASP A 31 4.054 3.579 -1.989 1.00 10.00 O ATOM 497 CB ASP A 31 2.115 4.708 -3.915 1.00 10.00 C ATOM 498 CG ASP A 31 2.430 4.226 -5.322 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.311 3.347 -5.457 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.758 4.718 -6.255 1.00 10.00 O ATOM 0 H ASP A 31 1.723 4.955 -1.402 1.00 10.00 H new ATOM 0 HA ASP A 31 1.188 2.852 -3.383 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.224 5.335 -3.940 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.933 5.332 -3.556 1.00 10.00 H new ATOM 505 N LEU A 32 3.478 1.708 -3.116 1.00 10.00 N ATOM 506 CA LEU A 32 4.796 1.114 -2.960 1.00 10.00 C ATOM 507 C LEU A 32 5.428 0.660 -4.266 1.00 10.00 C ATOM 508 O LEU A 32 6.313 -0.188 -4.247 1.00 10.00 O ATOM 509 CB LEU A 32 4.791 -0.073 -2.004 1.00 10.00 C ATOM 510 CG LEU A 32 3.699 -0.240 -0.954 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.989 -1.558 -0.218 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.646 0.852 0.106 1.00 10.00 C ATOM 0 H LEU A 32 2.792 1.123 -3.593 1.00 10.00 H new ATOM 0 HA LEU A 32 5.396 1.926 -2.548 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.783 -0.974 -2.617 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.743 -0.057 -1.473 1.00 10.00 H new ATOM 0 HG LEU A 32 2.748 -0.206 -1.485 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.230 -1.722 0.547 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.971 -2.384 -0.929 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.972 -1.504 0.251 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.836 0.642 0.805 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.593 0.882 0.645 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.471 1.815 -0.373 1.00 10.00 H new ATOM 524 N THR A 33 5.000 1.205 -5.390 1.00 10.00 N ATOM 525 CA THR A 33 5.357 0.700 -6.718 1.00 10.00 C ATOM 526 C THR A 33 6.875 0.550 -6.892 1.00 10.00 C ATOM 527 O THR A 33 7.347 -0.473 -7.374 1.00 10.00 O ATOM 528 CB THR A 33 4.728 1.572 -7.812 1.00 10.00 C ATOM 529 OG1 THR A 33 3.358 1.746 -7.527 1.00 10.00 O ATOM 530 CG2 THR A 33 4.836 0.917 -9.192 1.00 10.00 C ATOM 0 H THR A 33 4.387 2.020 -5.415 1.00 10.00 H new ATOM 0 HA THR A 33 4.945 -0.304 -6.816 1.00 10.00 H new ATOM 0 HB THR A 33 5.262 2.522 -7.827 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.242 2.519 -6.936 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.379 1.566 -9.939 1.00 10.00 H new ATOM 0 HG22 THR A 33 5.886 0.761 -9.440 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.320 -0.043 -9.181 1.00 10.00 H new ATOM 538 N LYS A 34 7.663 1.540 -6.466 1.00 10.00 N ATOM 539 CA LYS A 34 9.119 1.421 -6.503 1.00 10.00 C ATOM 540 C LYS A 34 9.630 0.429 -5.450 1.00 10.00 C ATOM 541 O LYS A 34 10.683 -0.176 -5.621 1.00 10.00 O ATOM 542 CB LYS A 34 9.743 2.821 -6.360 1.00 10.00 C ATOM 543 CG LYS A 34 11.272 2.797 -6.501 1.00 10.00 C ATOM 544 CD LYS A 34 11.974 2.667 -5.138 1.00 10.00 C ATOM 545 CE LYS A 34 13.346 1.991 -5.257 1.00 10.00 C ATOM 546 NZ LYS A 34 13.240 0.571 -5.646 1.00 10.00 N ATOM 0 H LYS A 34 7.319 2.426 -6.095 1.00 10.00 H new ATOM 0 HA LYS A 34 9.427 1.010 -7.464 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.321 3.483 -7.116 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.477 3.237 -5.388 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.564 1.964 -7.140 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.605 3.710 -6.995 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.095 3.657 -4.697 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.344 2.091 -4.460 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.948 2.523 -5.994 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.869 2.066 -4.304 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.147 0.094 -5.470 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 12.493 0.112 -5.086 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.005 0.505 -6.657 1.00 10.00 H new ATOM 560 N PHE A 35 8.913 0.282 -4.337 1.00 10.00 N ATOM 561 CA PHE A 35 9.313 -0.569 -3.228 1.00 10.00 C ATOM 562 C PHE A 35 9.097 -2.042 -3.558 1.00 10.00 C ATOM 563 O PHE A 35 9.783 -2.896 -3.007 1.00 10.00 O ATOM 564 CB PHE A 35 8.543 -0.185 -1.955 1.00 10.00 C ATOM 565 CG PHE A 35 9.300 -0.513 -0.681 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.579 0.039 -0.469 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.746 -1.374 0.284 1.00 10.00 C ATOM 568 CE1 PHE A 35 11.318 -0.297 0.678 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.490 -1.710 1.428 1.00 10.00 C ATOM 570 CZ PHE A 35 10.773 -1.176 1.627 1.00 10.00 C ATOM 0 H PHE A 35 8.025 0.760 -4.182 1.00 10.00 H new ATOM 0 HA PHE A 35 10.378 -0.417 -3.053 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.326 0.883 -1.977 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.585 -0.705 -1.946 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.994 0.725 -1.193 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.753 -1.775 0.146 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.303 0.120 0.829 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.071 -2.385 2.160 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.339 -1.441 2.508 1.00 10.00 H new ATOM 580 N LEU A 36 8.147 -2.339 -4.450 1.00 10.00 N ATOM 581 CA LEU A 36 7.927 -3.666 -5.025 1.00 10.00 C ATOM 582 C LEU A 36 9.252 -4.366 -5.343 1.00 10.00 C ATOM 583 O LEU A 36 9.401 -5.556 -5.075 1.00 10.00 O ATOM 584 CB LEU A 36 7.084 -3.538 -6.304 1.00 10.00 C ATOM 585 CG LEU A 36 5.691 -2.938 -6.101 1.00 10.00 C ATOM 586 CD1 LEU A 36 5.020 -2.820 -7.471 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.811 -3.733 -5.131 1.00 10.00 C ATOM 0 H LEU A 36 7.491 -1.641 -4.801 1.00 10.00 H new ATOM 0 HA LEU A 36 7.397 -4.272 -4.290 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.628 -2.922 -7.020 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.976 -4.526 -6.751 1.00 10.00 H new ATOM 0 HG LEU A 36 5.811 -1.959 -5.637 1.00 10.00 H new ATOM 0 HD11 LEU A 36 4.024 -2.394 -7.353 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.617 -2.173 -8.114 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.941 -3.808 -7.924 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.840 -3.246 -5.038 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.675 -4.746 -5.510 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.291 -3.773 -4.153 1.00 10.00 H new ATOM 599 N GLU A 37 10.208 -3.611 -5.897 1.00 10.00 N ATOM 600 CA GLU A 37 11.565 -4.063 -6.162 1.00 10.00 C ATOM 601 C GLU A 37 12.218 -4.654 -4.901 1.00 10.00 C ATOM 602 O GLU A 37 12.549 -5.839 -4.877 1.00 10.00 O ATOM 603 CB GLU A 37 12.383 -2.895 -6.733 1.00 10.00 C ATOM 604 CG GLU A 37 11.806 -2.348 -8.049 1.00 10.00 C ATOM 605 CD GLU A 37 12.705 -1.271 -8.643 1.00 10.00 C ATOM 606 OE1 GLU A 37 12.667 -0.139 -8.109 1.00 10.00 O ATOM 607 OE2 GLU A 37 13.442 -1.597 -9.595 1.00 10.00 O ATOM 0 H GLU A 37 10.047 -2.644 -6.178 1.00 10.00 H new ATOM 0 HA GLU A 37 11.537 -4.866 -6.899 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.422 -2.092 -5.997 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.409 -3.224 -6.901 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.690 -3.163 -8.764 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.812 -1.937 -7.870 1.00 10.00 H new ATOM 614 N GLU A 38 12.442 -3.839 -3.864 1.00 10.00 N ATOM 615 CA GLU A 38 13.143 -4.274 -2.659 1.00 10.00 C ATOM 616 C GLU A 38 12.329 -5.271 -1.826 1.00 10.00 C ATOM 617 O GLU A 38 12.881 -6.220 -1.271 1.00 10.00 O ATOM 618 CB GLU A 38 13.486 -3.060 -1.779 1.00 10.00 C ATOM 619 CG GLU A 38 14.562 -2.147 -2.384 1.00 10.00 C ATOM 620 CD GLU A 38 14.080 -1.313 -3.558 1.00 10.00 C ATOM 621 OE1 GLU A 38 12.850 -1.141 -3.723 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.944 -0.809 -4.309 1.00 10.00 O ATOM 0 H GLU A 38 12.142 -2.864 -3.840 1.00 10.00 H new ATOM 0 HA GLU A 38 14.050 -4.777 -2.993 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.581 -2.477 -1.609 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.826 -3.412 -0.805 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.935 -1.480 -1.607 1.00 10.00 H new ATOM 0 HG3 GLU A 38 15.403 -2.760 -2.709 1.00 10.00 H new ATOM 629 N HIS A 39 11.040 -4.979 -1.646 1.00 10.00 N ATOM 630 CA HIS A 39 10.181 -5.532 -0.607 1.00 10.00 C ATOM 631 C HIS A 39 10.265 -7.066 -0.483 1.00 10.00 C ATOM 632 O HIS A 39 9.730 -7.768 -1.345 1.00 10.00 O ATOM 633 CB HIS A 39 8.740 -5.086 -0.880 1.00 10.00 C ATOM 634 CG HIS A 39 7.779 -5.654 0.126 1.00 10.00 C ATOM 635 ND1 HIS A 39 7.196 -6.891 0.040 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.553 -5.179 1.388 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.620 -7.146 1.226 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.800 -6.128 2.084 1.00 10.00 N ATOM 0 H HIS A 39 10.548 -4.321 -2.250 1.00 10.00 H new ATOM 0 HA HIS A 39 10.531 -5.148 0.351 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.686 -3.998 -0.859 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.446 -5.401 -1.881 1.00 10.00 H new ATOM 0 HD2 HIS A 39 7.897 -4.233 1.779 1.00 10.00 H new ATOM 0 HE1 HIS A 39 6.082 -8.052 1.460 1.00 10.00 H new ATOM 0 HE2 HIS A 39 6.458 -6.062 3.043 1.00 10.00 H new ATOM 646 N PRO A 40 10.839 -7.608 0.611 1.00 10.00 N ATOM 647 CA PRO A 40 10.799 -9.033 0.916 1.00 10.00 C ATOM 648 C PRO A 40 9.347 -9.521 0.956 1.00 10.00 C ATOM 649 O PRO A 40 8.592 -9.155 1.851 1.00 10.00 O ATOM 650 CB PRO A 40 11.504 -9.194 2.270 1.00 10.00 C ATOM 651 CG PRO A 40 12.423 -7.974 2.323 1.00 10.00 C ATOM 652 CD PRO A 40 11.564 -6.903 1.655 1.00 10.00 C ATOM 0 HA PRO A 40 11.299 -9.635 0.157 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.794 -9.201 3.097 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.066 -10.126 2.325 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.687 -7.706 3.346 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.357 -8.142 1.786 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.881 -6.441 2.368 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.179 -6.105 1.240 1.00 10.00 H new ATOM 660 N GLY A 41 8.937 -10.288 -0.054 1.00 10.00 N ATOM 661 CA GLY A 41 7.537 -10.468 -0.406 1.00 10.00 C ATOM 662 C GLY A 41 7.453 -10.633 -1.922 1.00 10.00 C ATOM 663 O GLY A 41 6.796 -11.542 -2.424 1.00 10.00 O ATOM 0 H GLY A 41 9.578 -10.806 -0.655 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.127 -11.344 0.097 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.948 -9.610 -0.082 1.00 10.00 H new ATOM 667 N GLY A 42 8.145 -9.746 -2.646 1.00 10.00 N ATOM 668 CA GLY A 42 8.030 -9.635 -4.090 1.00 10.00 C ATOM 669 C GLY A 42 6.747 -8.900 -4.462 1.00 10.00 C ATOM 670 O GLY A 42 5.908 -8.608 -3.606 1.00 10.00 O ATOM 0 H GLY A 42 8.803 -9.084 -2.236 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.892 -9.102 -4.491 1.00 10.00 H new ATOM 0 HA3 GLY A 42 8.032 -10.628 -4.540 1.00 10.00 H new ATOM 674 N GLU A 43 6.611 -8.570 -5.747 1.00 10.00 N ATOM 675 CA GLU A 43 5.497 -7.773 -6.217 1.00 10.00 C ATOM 676 C GLU A 43 4.191 -8.560 -6.108 1.00 10.00 C ATOM 677 O GLU A 43 3.298 -8.109 -5.404 1.00 10.00 O ATOM 678 CB GLU A 43 5.802 -7.204 -7.604 1.00 10.00 C ATOM 679 CG GLU A 43 4.570 -6.539 -8.228 1.00 10.00 C ATOM 680 CD GLU A 43 4.883 -5.896 -9.571 1.00 10.00 C ATOM 681 OE1 GLU A 43 5.992 -5.344 -9.713 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.998 -6.014 -10.451 1.00 10.00 O ATOM 0 H GLU A 43 7.266 -8.848 -6.477 1.00 10.00 H new ATOM 0 HA GLU A 43 5.354 -6.903 -5.576 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.610 -6.476 -7.529 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.153 -8.004 -8.256 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.784 -7.283 -8.358 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.183 -5.782 -7.546 1.00 10.00 H new ATOM 689 N GLU A 44 4.065 -9.720 -6.763 1.00 10.00 N ATOM 690 CA GLU A 44 2.892 -10.597 -6.739 1.00 10.00 C ATOM 691 C GLU A 44 2.058 -10.493 -5.457 1.00 10.00 C ATOM 692 O GLU A 44 0.906 -10.068 -5.505 1.00 10.00 O ATOM 693 CB GLU A 44 3.354 -12.048 -6.964 1.00 10.00 C ATOM 694 CG GLU A 44 3.428 -12.449 -8.446 1.00 10.00 C ATOM 695 CD GLU A 44 3.954 -11.352 -9.355 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.008 -10.766 -9.027 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.234 -11.041 -10.331 1.00 10.00 O ATOM 0 H GLU A 44 4.813 -10.088 -7.351 1.00 10.00 H new ATOM 0 HA GLU A 44 2.230 -10.269 -7.540 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.336 -12.182 -6.511 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.670 -12.722 -6.448 1.00 10.00 H new ATOM 0 HG2 GLU A 44 4.068 -13.326 -8.543 1.00 10.00 H new ATOM 0 HG3 GLU A 44 2.434 -12.741 -8.783 1.00 10.00 H new ATOM 704 N VAL A 45 2.623 -10.871 -4.309 1.00 10.00 N ATOM 705 CA VAL A 45 1.882 -10.877 -3.050 1.00 10.00 C ATOM 706 C VAL A 45 1.389 -9.469 -2.675 1.00 10.00 C ATOM 707 O VAL A 45 0.281 -9.304 -2.165 1.00 10.00 O ATOM 708 CB VAL A 45 2.722 -11.560 -1.955 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.901 -10.699 -1.493 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.857 -11.962 -0.755 1.00 10.00 C ATOM 0 H VAL A 45 3.593 -11.177 -4.227 1.00 10.00 H new ATOM 0 HA VAL A 45 0.973 -11.468 -3.166 1.00 10.00 H new ATOM 0 HB VAL A 45 3.134 -12.462 -2.408 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.458 -11.229 -0.721 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.557 -10.496 -2.339 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.528 -9.758 -1.089 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.481 -12.441 -0.001 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.391 -11.074 -0.329 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.083 -12.657 -1.081 1.00 10.00 H new ATOM 720 N LEU A 46 2.188 -8.436 -2.958 1.00 10.00 N ATOM 721 CA LEU A 46 1.762 -7.053 -2.796 1.00 10.00 C ATOM 722 C LEU A 46 0.659 -6.718 -3.796 1.00 10.00 C ATOM 723 O LEU A 46 -0.299 -6.052 -3.432 1.00 10.00 O ATOM 724 CB LEU A 46 2.951 -6.084 -2.952 1.00 10.00 C ATOM 725 CG LEU A 46 3.588 -5.641 -1.629 1.00 10.00 C ATOM 726 CD1 LEU A 46 2.656 -4.728 -0.830 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.008 -6.829 -0.768 1.00 10.00 C ATOM 0 H LEU A 46 3.142 -8.539 -3.304 1.00 10.00 H new ATOM 0 HA LEU A 46 1.366 -6.935 -1.787 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.714 -6.562 -3.566 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.614 -5.200 -3.493 1.00 10.00 H new ATOM 0 HG LEU A 46 4.483 -5.079 -1.896 1.00 10.00 H new ATOM 0 HD11 LEU A 46 3.143 -4.436 0.100 1.00 10.00 H new ATOM 0 HD12 LEU A 46 2.429 -3.838 -1.416 1.00 10.00 H new ATOM 0 HD13 LEU A 46 1.732 -5.260 -0.604 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.454 -6.467 0.158 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.134 -7.438 -0.537 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.737 -7.432 -1.310 1.00 10.00 H new ATOM 739 N ARG A 47 0.778 -7.164 -5.045 1.00 10.00 N ATOM 740 CA ARG A 47 -0.139 -6.833 -6.127 1.00 10.00 C ATOM 741 C ARG A 47 -1.519 -7.403 -5.799 1.00 10.00 C ATOM 742 O ARG A 47 -2.524 -6.706 -5.900 1.00 10.00 O ATOM 743 CB ARG A 47 0.442 -7.348 -7.455 1.00 10.00 C ATOM 744 CG ARG A 47 -0.493 -7.101 -8.649 1.00 10.00 C ATOM 745 CD ARG A 47 0.187 -6.562 -9.922 1.00 10.00 C ATOM 746 NE ARG A 47 1.558 -7.042 -10.177 1.00 10.00 N ATOM 747 CZ ARG A 47 1.997 -8.294 -10.376 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.222 -9.363 -10.201 1.00 10.00 N ATOM 749 NH2 ARG A 47 3.258 -8.481 -10.749 1.00 10.00 N ATOM 0 H ARG A 47 1.536 -7.781 -5.337 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.260 -5.755 -6.236 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.399 -6.860 -7.641 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.640 -8.416 -7.370 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.995 -8.037 -8.895 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.265 -6.395 -8.344 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.433 -6.823 -10.779 1.00 10.00 H new ATOM 0 HD3 ARG A 47 0.209 -5.474 -9.865 1.00 10.00 H new ATOM 0 HE ARG A 47 2.276 -6.318 -10.206 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.253 -9.247 -9.904 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.597 -10.297 -10.364 1.00 10.00 H new ATOM 0 HH21 ARG A 47 3.875 -7.680 -10.880 1.00 10.00 H new ATOM 0 HH22 ARG A 47 3.609 -9.426 -10.905 1.00 10.00 H new ATOM 763 N GLU A 48 -1.532 -8.661 -5.362 1.00 10.00 N ATOM 764 CA GLU A 48 -2.688 -9.382 -4.856 1.00 10.00 C ATOM 765 C GLU A 48 -3.432 -8.561 -3.791 1.00 10.00 C ATOM 766 O GLU A 48 -4.642 -8.367 -3.868 1.00 10.00 O ATOM 767 CB GLU A 48 -2.150 -10.703 -4.281 1.00 10.00 C ATOM 768 CG GLU A 48 -3.237 -11.685 -3.818 1.00 10.00 C ATOM 769 CD GLU A 48 -4.040 -12.294 -4.967 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.544 -12.245 -6.113 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.128 -12.829 -4.666 1.00 10.00 O ATOM 0 H GLU A 48 -0.687 -9.232 -5.353 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.415 -9.570 -5.646 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.536 -11.191 -5.038 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.498 -10.478 -3.437 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.771 -12.487 -3.246 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.919 -11.168 -3.143 1.00 10.00 H new ATOM 778 N GLN A 49 -2.699 -8.098 -2.773 1.00 10.00 N ATOM 779 CA GLN A 49 -3.249 -7.380 -1.629 1.00 10.00 C ATOM 780 C GLN A 49 -3.567 -5.924 -1.997 1.00 10.00 C ATOM 781 O GLN A 49 -4.429 -5.296 -1.382 1.00 10.00 O ATOM 782 CB GLN A 49 -2.222 -7.505 -0.494 1.00 10.00 C ATOM 783 CG GLN A 49 -2.430 -6.652 0.762 1.00 10.00 C ATOM 784 CD GLN A 49 -3.702 -6.909 1.568 1.00 10.00 C ATOM 785 OE1 GLN A 49 -3.654 -7.550 2.612 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.818 -6.319 1.159 1.00 10.00 N ATOM 0 H GLN A 49 -1.687 -8.217 -2.725 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.199 -7.805 -1.306 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.190 -8.550 -0.186 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -1.241 -7.263 -0.903 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -1.575 -6.803 1.420 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.422 -5.603 0.465 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.826 -5.793 0.285 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.668 -6.392 1.718 1.00 10.00 H new ATOM 795 N ALA A 50 -2.837 -5.362 -2.958 1.00 10.00 N ATOM 796 CA ALA A 50 -2.963 -3.974 -3.350 1.00 10.00 C ATOM 797 C ALA A 50 -4.299 -3.705 -4.030 1.00 10.00 C ATOM 798 O ALA A 50 -4.970 -4.600 -4.540 1.00 10.00 O ATOM 799 CB ALA A 50 -1.811 -3.589 -4.275 1.00 10.00 C ATOM 0 H ALA A 50 -2.132 -5.873 -3.490 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.922 -3.363 -2.448 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.912 -2.543 -4.566 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.864 -3.731 -3.755 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.834 -4.217 -5.165 1.00 10.00 H new ATOM 805 N GLY A 51 -4.675 -2.430 -4.035 1.00 10.00 N ATOM 806 CA GLY A 51 -5.994 -1.981 -4.395 1.00 10.00 C ATOM 807 C GLY A 51 -7.020 -2.687 -3.540 1.00 10.00 C ATOM 808 O GLY A 51 -8.026 -3.209 -4.003 1.00 10.00 O ATOM 0 H GLY A 51 -4.046 -1.669 -3.780 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.072 -0.902 -4.258 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.183 -2.183 -5.449 1.00 10.00 H new ATOM 812 N GLY A 52 -6.753 -2.614 -2.240 1.00 10.00 N ATOM 813 CA GLY A 52 -7.684 -2.934 -1.207 1.00 10.00 C ATOM 814 C GLY A 52 -7.043 -2.499 0.098 1.00 10.00 C ATOM 815 O GLY A 52 -6.029 -1.790 0.133 1.00 10.00 O ATOM 0 H GLY A 52 -5.845 -2.318 -1.882 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.631 -2.419 -1.365 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.900 -4.002 -1.196 1.00 10.00 H new ATOM 819 N ASP A 53 -7.677 -2.941 1.170 1.00 10.00 N ATOM 820 CA ASP A 53 -7.264 -2.671 2.533 1.00 10.00 C ATOM 821 C ASP A 53 -6.234 -3.700 2.978 1.00 10.00 C ATOM 822 O ASP A 53 -6.465 -4.905 2.860 1.00 10.00 O ATOM 823 CB ASP A 53 -8.474 -2.630 3.469 1.00 10.00 C ATOM 824 CG ASP A 53 -8.160 -1.817 4.715 1.00 10.00 C ATOM 825 OD1 ASP A 53 -7.116 -2.088 5.352 1.00 10.00 O ATOM 826 OD2 ASP A 53 -8.972 -0.900 4.986 1.00 10.00 O ATOM 0 H ASP A 53 -8.518 -3.515 1.113 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.795 -1.688 2.576 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.328 -2.194 2.950 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.756 -3.644 3.752 1.00 10.00 H new ATOM 831 N ALA A 54 -5.092 -3.212 3.456 1.00 10.00 N ATOM 832 CA ALA A 54 -4.022 -4.033 3.998 1.00 10.00 C ATOM 833 C ALA A 54 -3.653 -3.542 5.396 1.00 10.00 C ATOM 834 O ALA A 54 -2.540 -3.806 5.848 1.00 10.00 O ATOM 835 CB ALA A 54 -2.835 -3.987 3.034 1.00 10.00 C ATOM 0 H ALA A 54 -4.884 -2.214 3.476 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.341 -5.071 4.097 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.023 -4.599 3.427 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.141 -4.372 2.061 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.494 -2.957 2.926 1.00 10.00 H new ATOM 841 N THR A 55 -4.559 -2.842 6.092 1.00 10.00 N ATOM 842 CA THR A 55 -4.245 -2.294 7.404 1.00 10.00 C ATOM 843 C THR A 55 -3.889 -3.422 8.371 1.00 10.00 C ATOM 844 O THR A 55 -2.780 -3.471 8.908 1.00 10.00 O ATOM 845 CB THR A 55 -5.416 -1.450 7.942 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.834 -0.479 7.005 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.974 -0.719 9.209 1.00 10.00 C ATOM 0 H THR A 55 -5.506 -2.647 5.766 1.00 10.00 H new ATOM 0 HA THR A 55 -3.382 -1.635 7.310 1.00 10.00 H new ATOM 0 HB THR A 55 -6.244 -2.129 8.144 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.317 -0.917 6.273 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.801 -0.121 9.591 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.673 -1.447 9.963 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.132 -0.067 8.978 1.00 10.00 H new ATOM 855 N GLU A 56 -4.842 -4.338 8.574 1.00 10.00 N ATOM 856 CA GLU A 56 -4.696 -5.478 9.442 1.00 10.00 C ATOM 857 C GLU A 56 -3.491 -6.265 8.952 1.00 10.00 C ATOM 858 O GLU A 56 -2.548 -6.430 9.703 1.00 10.00 O ATOM 859 CB GLU A 56 -6.004 -6.279 9.425 1.00 10.00 C ATOM 860 CG GLU A 56 -6.018 -7.422 10.444 1.00 10.00 C ATOM 861 CD GLU A 56 -7.389 -8.088 10.472 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.799 -8.570 9.395 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.013 -8.066 11.555 1.00 10.00 O ATOM 0 H GLU A 56 -5.754 -4.292 8.120 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.517 -5.202 10.481 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.838 -5.607 9.629 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.161 -6.687 8.427 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.254 -8.156 10.188 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -5.772 -7.039 11.434 1.00 10.00 H new ATOM 870 N ASN A 57 -3.478 -6.668 7.679 1.00 10.00 N ATOM 871 CA ASN A 57 -2.384 -7.441 7.104 1.00 10.00 C ATOM 872 C ASN A 57 -1.002 -6.855 7.442 1.00 10.00 C ATOM 873 O ASN A 57 -0.094 -7.561 7.879 1.00 10.00 O ATOM 874 CB ASN A 57 -2.579 -7.572 5.587 1.00 10.00 C ATOM 875 CG ASN A 57 -1.595 -8.597 5.050 1.00 10.00 C ATOM 876 OD1 ASN A 57 -1.931 -9.758 4.852 1.00 10.00 O ATOM 877 ND2 ASN A 57 -0.351 -8.178 4.865 1.00 10.00 N ATOM 0 H ASN A 57 -4.229 -6.465 7.020 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.409 -8.434 7.554 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.601 -7.878 5.364 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.421 -6.608 5.102 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.365 -8.831 4.547 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -0.110 -7.203 5.041 1.00 10.00 H new ATOM 884 N PHE A 58 -0.828 -5.553 7.213 1.00 10.00 N ATOM 885 CA PHE A 58 0.421 -4.866 7.499 1.00 10.00 C ATOM 886 C PHE A 58 0.816 -5.037 8.969 1.00 10.00 C ATOM 887 O PHE A 58 1.904 -5.533 9.268 1.00 10.00 O ATOM 888 CB PHE A 58 0.284 -3.387 7.126 1.00 10.00 C ATOM 889 CG PHE A 58 1.526 -2.564 7.394 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.649 -2.699 6.559 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.557 -1.658 8.470 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.775 -1.881 6.761 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.679 -0.837 8.667 1.00 10.00 C ATOM 894 CZ PHE A 58 3.784 -0.937 7.804 1.00 10.00 C ATOM 0 H PHE A 58 -1.552 -4.949 6.824 1.00 10.00 H new ATOM 0 HA PHE A 58 1.218 -5.306 6.900 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.033 -3.312 6.068 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.550 -2.959 7.683 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.647 -3.430 5.764 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.717 -1.594 9.145 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.634 -1.978 6.114 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.693 -0.128 9.482 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.638 -0.290 7.941 1.00 10.00 H new ATOM 904 N GLU A 59 -0.066 -4.619 9.876 1.00 10.00 N ATOM 905 CA GLU A 59 0.202 -4.610 11.306 1.00 10.00 C ATOM 906 C GLU A 59 0.455 -6.031 11.820 1.00 10.00 C ATOM 907 O GLU A 59 1.471 -6.298 12.458 1.00 10.00 O ATOM 908 CB GLU A 59 -1.001 -3.962 11.999 1.00 10.00 C ATOM 909 CG GLU A 59 -1.084 -2.459 11.692 1.00 10.00 C ATOM 910 CD GLU A 59 -0.027 -1.655 12.438 1.00 10.00 C ATOM 911 OE1 GLU A 59 -0.278 -1.329 13.617 1.00 10.00 O ATOM 912 OE2 GLU A 59 1.064 -1.384 11.889 1.00 10.00 O ATOM 0 H GLU A 59 -0.995 -4.275 9.632 1.00 10.00 H new ATOM 0 HA GLU A 59 1.103 -4.038 11.525 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.918 -4.452 11.673 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -0.926 -4.111 13.076 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -0.966 -2.303 10.620 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.074 -2.090 11.961 1.00 10.00 H new ATOM 919 N ASP A 60 -0.485 -6.925 11.514 1.00 10.00 N ATOM 920 CA ASP A 60 -0.485 -8.364 11.726 1.00 10.00 C ATOM 921 C ASP A 60 0.910 -8.964 11.549 1.00 10.00 C ATOM 922 O ASP A 60 1.439 -9.608 12.453 1.00 10.00 O ATOM 923 CB ASP A 60 -1.469 -8.996 10.730 1.00 10.00 C ATOM 924 CG ASP A 60 -1.351 -10.512 10.725 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.009 -11.145 11.576 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.577 -11.003 9.871 1.00 10.00 O ATOM 0 H ASP A 60 -1.351 -6.624 11.067 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.791 -8.573 12.751 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.488 -8.709 10.990 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.275 -8.610 9.729 1.00 10.00 H new ATOM 931 N HIS A 61 1.522 -8.721 10.386 1.00 10.00 N ATOM 932 CA HIS A 61 2.818 -9.304 10.050 1.00 10.00 C ATOM 933 C HIS A 61 3.967 -8.780 10.930 1.00 10.00 C ATOM 934 O HIS A 61 5.088 -9.271 10.826 1.00 10.00 O ATOM 935 CB HIS A 61 3.134 -9.041 8.576 1.00 10.00 C ATOM 936 CG HIS A 61 2.224 -9.702 7.572 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.038 -10.367 7.809 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.435 -9.708 6.221 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.557 -10.755 6.616 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.368 -10.370 5.611 1.00 10.00 N ATOM 0 H HIS A 61 1.135 -8.120 9.659 1.00 10.00 H new ATOM 0 HA HIS A 61 2.741 -10.375 10.240 1.00 10.00 H new ATOM 0 HB2 HIS A 61 3.107 -7.965 8.407 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.155 -9.369 8.381 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.608 -10.533 8.719 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.283 -9.274 5.712 1.00 10.00 H new ATOM 0 HE1 HIS A 61 -0.362 -11.305 6.480 1.00 10.00 H new ATOM 948 N GLY A 62 3.727 -7.774 11.776 1.00 10.00 N ATOM 949 CA GLY A 62 4.736 -7.209 12.658 1.00 10.00 C ATOM 950 C GLY A 62 5.676 -6.270 11.905 1.00 10.00 C ATOM 951 O GLY A 62 6.837 -6.114 12.291 1.00 10.00 O ATOM 0 H GLY A 62 2.814 -7.328 11.864 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.249 -6.666 13.468 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.313 -8.013 13.115 1.00 10.00 H new ATOM 955 N HIS A 63 5.167 -5.616 10.852 1.00 10.00 N ATOM 956 CA HIS A 63 5.911 -4.604 10.121 1.00 10.00 C ATOM 957 C HIS A 63 6.365 -3.514 11.090 1.00 10.00 C ATOM 958 O HIS A 63 5.562 -2.737 11.602 1.00 10.00 O ATOM 959 CB HIS A 63 5.066 -4.029 8.987 1.00 10.00 C ATOM 960 CG HIS A 63 5.011 -4.940 7.790 1.00 10.00 C ATOM 961 ND1 HIS A 63 3.982 -5.780 7.454 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.910 -4.959 6.763 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.246 -6.283 6.235 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.412 -5.803 5.766 1.00 10.00 N ATOM 0 H HIS A 63 4.228 -5.780 10.490 1.00 10.00 H new ATOM 0 HA HIS A 63 6.793 -5.056 9.668 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.054 -3.848 9.348 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.475 -3.064 8.687 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.163 -5.987 8.026 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.843 -4.417 6.727 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.610 -6.977 5.706 1.00 10.00 H new ATOM 972 N SER A 64 7.661 -3.518 11.386 1.00 10.00 N ATOM 973 CA SER A 64 8.219 -2.831 12.530 1.00 10.00 C ATOM 974 C SER A 64 8.311 -1.321 12.295 1.00 10.00 C ATOM 975 O SER A 64 7.915 -0.815 11.246 1.00 10.00 O ATOM 976 CB SER A 64 9.567 -3.495 12.834 1.00 10.00 C ATOM 977 OG SER A 64 9.470 -4.887 12.556 1.00 10.00 O ATOM 0 H SER A 64 8.358 -4.008 10.825 1.00 10.00 H new ATOM 0 HA SER A 64 7.572 -2.922 13.402 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.354 -3.044 12.229 1.00 10.00 H new ATOM 0 HB3 SER A 64 9.838 -3.337 13.878 1.00 10.00 H new ATOM 0 HG SER A 64 8.537 -5.173 12.641 1.00 10.00 H new ATOM 983 N THR A 65 8.837 -0.599 13.284 1.00 10.00 N ATOM 984 CA THR A 65 9.014 0.847 13.301 1.00 10.00 C ATOM 985 C THR A 65 9.505 1.402 11.968 1.00 10.00 C ATOM 986 O THR A 65 9.000 2.403 11.475 1.00 10.00 O ATOM 987 CB THR A 65 10.053 1.144 14.398 1.00 10.00 C ATOM 988 OG1 THR A 65 10.967 0.057 14.507 1.00 10.00 O ATOM 989 CG2 THR A 65 9.354 1.286 15.752 1.00 10.00 C ATOM 0 H THR A 65 9.169 -1.036 14.143 1.00 10.00 H new ATOM 0 HA THR A 65 8.053 1.325 13.491 1.00 10.00 H new ATOM 0 HB THR A 65 10.575 2.064 14.133 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.493 -0.012 13.683 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.095 1.496 16.524 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.635 2.104 15.706 1.00 10.00 H new ATOM 0 HG23 THR A 65 8.833 0.359 15.992 1.00 10.00 H new ATOM 997 N ASP A 66 10.503 0.745 11.402 1.00 10.00 N ATOM 998 CA ASP A 66 11.231 1.151 10.222 1.00 10.00 C ATOM 999 C ASP A 66 10.290 1.113 9.016 1.00 10.00 C ATOM 1000 O ASP A 66 10.184 2.071 8.251 1.00 10.00 O ATOM 1001 CB ASP A 66 12.428 0.193 10.085 1.00 10.00 C ATOM 1002 CG ASP A 66 13.236 0.076 11.383 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.617 -0.318 12.406 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.441 0.396 11.335 1.00 10.00 O ATOM 0 H ASP A 66 10.844 -0.139 11.780 1.00 10.00 H new ATOM 0 HA ASP A 66 11.606 2.172 10.288 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.068 -0.794 9.794 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.080 0.543 9.285 1.00 10.00 H new ATOM 1009 N ALA A 67 9.555 0.006 8.886 1.00 10.00 N ATOM 1010 CA ALA A 67 8.543 -0.192 7.870 1.00 10.00 C ATOM 1011 C ALA A 67 7.405 0.808 8.069 1.00 10.00 C ATOM 1012 O ALA A 67 6.893 1.366 7.104 1.00 10.00 O ATOM 1013 CB ALA A 67 8.029 -1.635 7.917 1.00 10.00 C ATOM 0 H ALA A 67 9.658 -0.796 9.508 1.00 10.00 H new ATOM 0 HA ALA A 67 8.978 -0.020 6.885 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.268 -1.775 7.149 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.856 -2.322 7.738 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.597 -1.836 8.897 1.00 10.00 H new ATOM 1019 N ARG A 68 7.021 1.041 9.326 1.00 10.00 N ATOM 1020 CA ARG A 68 6.105 2.099 9.732 1.00 10.00 C ATOM 1021 C ARG A 68 6.575 3.446 9.160 1.00 10.00 C ATOM 1022 O ARG A 68 5.831 4.112 8.442 1.00 10.00 O ATOM 1023 CB ARG A 68 6.008 2.131 11.272 1.00 10.00 C ATOM 1024 CG ARG A 68 4.654 1.696 11.847 1.00 10.00 C ATOM 1025 CD ARG A 68 4.590 0.170 12.015 1.00 10.00 C ATOM 1026 NE ARG A 68 3.359 -0.257 12.716 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.195 -0.217 14.048 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.188 0.231 14.826 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.053 -0.601 14.616 1.00 10.00 N ATOM 0 H ARG A 68 7.351 0.479 10.110 1.00 10.00 H new ATOM 0 HA ARG A 68 5.109 1.904 9.335 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.784 1.486 11.683 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.222 3.144 11.613 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.493 2.178 12.811 1.00 10.00 H new ATOM 0 HG3 ARG A 68 3.852 2.026 11.187 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.633 -0.305 11.035 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.462 -0.171 12.573 1.00 10.00 H new ATOM 0 HE ARG A 68 2.584 -0.604 12.150 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.065 0.540 14.406 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.068 0.263 15.838 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.282 -0.934 14.037 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.950 -0.563 15.630 1.00 10.00 H new ATOM 1043 N GLU A 69 7.811 3.852 9.452 1.00 10.00 N ATOM 1044 CA GLU A 69 8.400 5.102 8.987 1.00 10.00 C ATOM 1045 C GLU A 69 8.307 5.174 7.460 1.00 10.00 C ATOM 1046 O GLU A 69 7.782 6.134 6.883 1.00 10.00 O ATOM 1047 CB GLU A 69 9.847 5.202 9.508 1.00 10.00 C ATOM 1048 CG GLU A 69 10.302 6.652 9.732 1.00 10.00 C ATOM 1049 CD GLU A 69 9.503 7.347 10.826 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.111 6.686 11.815 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.150 8.534 10.647 1.00 10.00 O ATOM 0 H GLU A 69 8.445 3.304 10.034 1.00 10.00 H new ATOM 0 HA GLU A 69 7.854 5.960 9.379 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.929 4.652 10.445 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.518 4.722 8.796 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.360 6.662 9.996 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.201 7.210 8.801 1.00 10.00 H new ATOM 1058 N LEU A 70 8.750 4.098 6.809 1.00 10.00 N ATOM 1059 CA LEU A 70 8.627 3.953 5.370 1.00 10.00 C ATOM 1060 C LEU A 70 7.184 4.198 4.908 1.00 10.00 C ATOM 1061 O LEU A 70 6.939 4.928 3.951 1.00 10.00 O ATOM 1062 CB LEU A 70 9.145 2.572 4.923 1.00 10.00 C ATOM 1063 CG LEU A 70 10.487 2.596 4.172 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.575 3.733 3.147 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.652 2.678 5.161 1.00 10.00 C ATOM 0 H LEU A 70 9.202 3.308 7.269 1.00 10.00 H new ATOM 0 HA LEU A 70 9.246 4.712 4.892 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.249 1.937 5.803 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.395 2.109 4.282 1.00 10.00 H new ATOM 0 HG LEU A 70 10.552 1.662 3.614 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.544 3.699 2.649 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.782 3.618 2.408 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.461 4.691 3.655 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.594 2.694 4.613 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.562 3.588 5.755 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.631 1.811 5.821 1.00 10.00 H new ATOM 1077 N SER A 71 6.209 3.632 5.620 1.00 10.00 N ATOM 1078 CA SER A 71 4.807 3.799 5.283 1.00 10.00 C ATOM 1079 C SER A 71 4.439 5.280 5.290 1.00 10.00 C ATOM 1080 O SER A 71 3.734 5.732 4.393 1.00 10.00 O ATOM 1081 CB SER A 71 3.919 2.896 6.165 1.00 10.00 C ATOM 1082 OG SER A 71 3.436 3.547 7.323 1.00 10.00 O ATOM 0 H SER A 71 6.374 3.049 6.441 1.00 10.00 H new ATOM 0 HA SER A 71 4.619 3.458 4.265 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.073 2.543 5.575 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.490 2.016 6.462 1.00 10.00 H new ATOM 0 HG SER A 71 4.182 3.973 7.794 1.00 10.00 H new ATOM 1088 N LYS A 72 4.966 6.051 6.248 1.00 10.00 N ATOM 1089 CA LYS A 72 4.686 7.480 6.300 1.00 10.00 C ATOM 1090 C LYS A 72 5.089 8.113 4.978 1.00 10.00 C ATOM 1091 O LYS A 72 4.280 8.758 4.318 1.00 10.00 O ATOM 1092 CB LYS A 72 5.426 8.186 7.442 1.00 10.00 C ATOM 1093 CG LYS A 72 5.226 7.490 8.785 1.00 10.00 C ATOM 1094 CD LYS A 72 5.918 8.319 9.872 1.00 10.00 C ATOM 1095 CE LYS A 72 5.996 7.570 11.211 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.035 8.150 12.087 1.00 10.00 N ATOM 0 H LYS A 72 5.581 5.710 6.987 1.00 10.00 H new ATOM 0 HA LYS A 72 3.618 7.598 6.482 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.491 8.225 7.212 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.077 9.216 7.515 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.163 7.390 9.005 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.642 6.483 8.755 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.924 8.578 9.543 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.377 9.255 10.012 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.029 7.613 11.712 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.215 6.518 11.030 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.629 7.388 12.472 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.626 8.806 11.537 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.582 8.664 12.869 1.00 10.00 H new ATOM 1110 N THR A 73 6.346 7.902 4.584 1.00 10.00 N ATOM 1111 CA THR A 73 6.829 8.498 3.339 1.00 10.00 C ATOM 1112 C THR A 73 6.063 7.959 2.119 1.00 10.00 C ATOM 1113 O THR A 73 5.915 8.671 1.128 1.00 10.00 O ATOM 1114 CB THR A 73 8.365 8.456 3.218 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.811 9.349 2.217 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.944 7.082 2.899 1.00 10.00 C ATOM 0 H THR A 73 7.030 7.340 5.092 1.00 10.00 H new ATOM 0 HA THR A 73 6.601 9.563 3.367 1.00 10.00 H new ATOM 0 HB THR A 73 8.721 8.742 4.208 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.788 9.310 2.156 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.030 7.151 2.833 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.672 6.381 3.688 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.545 6.731 1.948 1.00 10.00 H new ATOM 1124 N PHE A 74 5.532 6.733 2.189 1.00 10.00 N ATOM 1125 CA PHE A 74 4.707 6.178 1.121 1.00 10.00 C ATOM 1126 C PHE A 74 3.289 6.752 1.090 1.00 10.00 C ATOM 1127 O PHE A 74 2.564 6.471 0.135 1.00 10.00 O ATOM 1128 CB PHE A 74 4.606 4.658 1.248 1.00 10.00 C ATOM 1129 CG PHE A 74 5.895 3.864 1.288 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.047 4.276 0.589 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.871 2.600 1.896 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.182 3.446 0.555 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.956 1.727 1.749 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.145 2.183 1.170 1.00 10.00 C ATOM 0 H PHE A 74 5.663 6.106 2.982 1.00 10.00 H new ATOM 0 HA PHE A 74 5.206 6.457 0.193 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.047 4.435 2.157 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.013 4.291 0.410 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.058 5.228 0.080 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.013 2.299 2.479 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.081 3.779 0.057 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.875 0.703 2.082 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.031 1.567 1.196 1.00 10.00 H new ATOM 1144 N ILE A 75 2.855 7.496 2.117 1.00 10.00 N ATOM 1145 CA ILE A 75 1.546 8.151 2.050 1.00 10.00 C ATOM 1146 C ILE A 75 1.491 9.089 0.846 1.00 10.00 C ATOM 1147 O ILE A 75 2.252 10.050 0.759 1.00 10.00 O ATOM 1148 CB ILE A 75 1.156 8.880 3.351 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.826 7.816 4.401 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.080 9.777 3.157 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.800 8.374 5.827 1.00 10.00 C ATOM 0 H ILE A 75 3.375 7.655 2.980 1.00 10.00 H new ATOM 0 HA ILE A 75 0.803 7.364 1.925 1.00 10.00 H new ATOM 0 HB ILE A 75 1.987 9.515 3.659 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.144 7.375 4.171 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.563 7.015 4.343 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.321 10.272 4.097 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.131 10.528 2.395 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.926 9.167 2.841 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.561 7.573 6.527 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.777 8.791 6.073 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.044 9.156 5.898 1.00 10.00 H new ATOM 1163 N ILE A 76 0.555 8.814 -0.063 1.00 10.00 N ATOM 1164 CA ILE A 76 0.327 9.590 -1.279 1.00 10.00 C ATOM 1165 C ILE A 76 -1.036 10.286 -1.262 1.00 10.00 C ATOM 1166 O ILE A 76 -1.319 11.114 -2.125 1.00 10.00 O ATOM 1167 CB ILE A 76 0.400 8.652 -2.496 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.391 7.359 -2.224 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.858 8.335 -2.852 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -0.966 6.748 -3.494 1.00 10.00 C ATOM 0 H ILE A 76 -0.082 8.023 0.030 1.00 10.00 H new ATOM 0 HA ILE A 76 1.097 10.359 -1.338 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.052 9.158 -3.349 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.262 6.633 -1.739 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.202 7.573 -1.528 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.885 7.670 -3.715 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.384 9.260 -3.089 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.342 7.849 -2.005 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.514 5.839 -3.245 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.642 7.461 -3.967 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.155 6.506 -4.181 1.00 10.00 H new ATOM 1182 N GLY A 77 -1.923 9.897 -0.346 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.354 10.027 -0.584 1.00 10.00 C ATOM 1184 C GLY A 77 -4.091 9.502 0.619 1.00 10.00 C ATOM 1185 O GLY A 77 -3.469 8.981 1.550 1.00 10.00 O ATOM 0 H GLY A 77 -1.676 9.494 0.558 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.615 11.070 -0.762 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.641 9.470 -1.476 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.417 9.588 0.558 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.263 8.982 1.549 1.00 10.00 C ATOM 1191 C GLU A 78 -7.412 8.285 0.847 1.00 10.00 C ATOM 1192 O GLU A 78 -7.717 8.597 -0.301 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.779 10.050 2.514 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.679 10.951 3.095 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.073 11.596 4.418 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.187 11.306 4.915 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -5.208 12.274 5.002 1.00 10.00 O ATOM 0 H GLU A 78 -5.921 10.080 -0.180 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.701 8.249 2.128 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.508 10.673 1.995 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.304 9.561 3.334 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.774 10.362 3.240 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.439 11.732 2.374 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.017 7.345 1.564 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.065 6.463 1.091 1.00 10.00 C ATOM 1206 C LEU A 79 -10.401 7.178 1.203 1.00 10.00 C ATOM 1207 O LEU A 79 -10.845 7.507 2.300 1.00 10.00 O ATOM 1208 CB LEU A 79 -8.947 5.160 1.891 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.159 4.222 1.932 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.806 4.271 3.304 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.225 4.391 0.861 1.00 10.00 C ATOM 0 H LEU A 79 -7.774 7.173 2.540 1.00 10.00 H new ATOM 0 HA LEU A 79 -8.975 6.201 0.037 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.104 4.598 1.489 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.694 5.422 2.918 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.724 3.248 1.709 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.666 3.602 3.325 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.084 3.957 4.058 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.133 5.289 3.516 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.018 3.660 1.018 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.642 5.397 0.918 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.780 4.238 -0.122 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.003 7.472 0.048 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.082 8.430 -0.019 1.00 10.00 C ATOM 1225 C HIS A 80 -13.274 8.041 0.825 1.00 10.00 C ATOM 1226 O HIS A 80 -13.837 6.979 0.605 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.518 8.706 -1.449 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.452 9.878 -1.520 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -14.829 9.838 -1.526 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.076 11.158 -1.227 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.264 11.081 -1.255 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.233 11.919 -1.060 1.00 10.00 N ATOM 0 H HIS A 80 -10.753 7.054 -0.848 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.673 9.350 0.399 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -11.641 8.899 -2.067 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.008 7.823 -1.858 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.061 11.518 -1.140 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.304 11.367 -1.201 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.285 12.912 -0.835 1.00 10.00 H new