USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 GLU N :NH3+ -166:sc=-0.00718 (180deg=-0.187) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -26:sc= 1.43 USER MOD Single : A 9 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.41) USER MOD Single : A 10 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 176:sc= -0.588 USER MOD Single : A 25 HIS : no HE2:sc= -7.24! C(o=-7.2!,f=-3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.641! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -3.89! C(o=-3.9!,f=-6.5!) USER MOD Single : A 33 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.1!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.778 K(o=-0.78,f=0) USER MOD Single : A 57 CYS SG : rot 53:sc= -0.11 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.637 -15.498 11.801 1.00 0.00 N ATOM 2 CA GLU A 1 12.417 -15.302 13.011 1.00 0.00 C ATOM 3 C GLU A 1 11.890 -14.096 13.792 1.00 0.00 C ATOM 4 O GLU A 1 11.802 -14.137 15.018 1.00 0.00 O ATOM 5 CB GLU A 1 13.903 -15.139 12.686 1.00 0.00 C ATOM 6 CG GLU A 1 14.725 -16.278 13.293 1.00 0.00 C ATOM 7 CD GLU A 1 14.664 -16.244 14.821 1.00 0.00 C ATOM 8 OE1 GLU A 1 13.566 -16.517 15.352 1.00 0.00 O ATOM 9 OE2 GLU A 1 15.718 -15.946 15.425 1.00 0.00 O ATOM 0 H1 GLU A 1 11.840 -16.438 11.406 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.624 -15.428 12.026 1.00 0.00 H new ATOM 0 H3 GLU A 1 11.888 -14.768 11.104 1.00 0.00 H new ATOM 0 HA GLU A 1 12.312 -16.189 13.636 1.00 0.00 H new ATOM 0 HB2 GLU A 1 14.043 -15.121 11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 1 14.260 -14.183 13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 1 14.349 -17.235 12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 1 15.761 -16.198 12.965 1.00 0.00 H new ATOM 16 N GLU A 2 11.555 -13.051 13.050 1.00 0.00 N ATOM 17 CA GLU A 2 11.039 -11.836 13.658 1.00 0.00 C ATOM 18 C GLU A 2 9.550 -11.678 13.347 1.00 0.00 C ATOM 19 O GLU A 2 8.922 -12.594 12.818 1.00 0.00 O ATOM 20 CB GLU A 2 11.830 -10.612 13.191 1.00 0.00 C ATOM 21 CG GLU A 2 12.462 -9.882 14.378 1.00 0.00 C ATOM 22 CD GLU A 2 11.543 -8.772 14.891 1.00 0.00 C ATOM 23 OE1 GLU A 2 10.564 -9.122 15.586 1.00 0.00 O ATOM 24 OE2 GLU A 2 11.840 -7.599 14.578 1.00 0.00 O ATOM 0 H GLU A 2 11.631 -13.020 12.033 1.00 0.00 H new ATOM 0 HA GLU A 2 11.158 -11.914 14.739 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.608 -10.922 12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.170 -9.933 12.651 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.664 -10.592 15.180 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.420 -9.457 14.080 1.00 0.00 H new ATOM 31 N TYR A 3 9.027 -10.510 13.690 1.00 0.00 N ATOM 32 CA TYR A 3 7.623 -10.220 13.455 1.00 0.00 C ATOM 33 C TYR A 3 7.369 -8.711 13.446 1.00 0.00 C ATOM 34 O TYR A 3 8.308 -7.919 13.503 1.00 0.00 O ATOM 35 CB TYR A 3 6.861 -10.846 14.624 1.00 0.00 C ATOM 36 CG TYR A 3 5.394 -11.154 14.318 1.00 0.00 C ATOM 37 CD1 TYR A 3 5.049 -11.739 13.117 1.00 0.00 C ATOM 38 CD2 TYR A 3 4.417 -10.848 15.243 1.00 0.00 C ATOM 39 CE1 TYR A 3 3.668 -12.029 12.828 1.00 0.00 C ATOM 40 CE2 TYR A 3 3.036 -11.138 14.954 1.00 0.00 C ATOM 41 CZ TYR A 3 2.730 -11.714 13.761 1.00 0.00 C ATOM 42 OH TYR A 3 1.426 -11.988 13.489 1.00 0.00 O ATOM 0 H TYR A 3 9.551 -9.753 14.129 1.00 0.00 H new ATOM 0 HA TYR A 3 7.306 -10.616 12.490 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.361 -11.769 14.918 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.909 -10.171 15.479 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.814 -11.979 12.394 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.688 -10.391 16.183 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.384 -12.486 11.892 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.261 -10.903 15.669 1.00 0.00 H new ATOM 0 HH TYR A 3 0.869 -11.710 14.246 1.00 0.00 H new ATOM 52 N VAL A 4 6.094 -8.359 13.373 1.00 0.00 N ATOM 53 CA VAL A 4 5.704 -6.959 13.355 1.00 0.00 C ATOM 54 C VAL A 4 5.948 -6.383 11.959 1.00 0.00 C ATOM 55 O VAL A 4 6.847 -5.566 11.768 1.00 0.00 O ATOM 56 CB VAL A 4 6.446 -6.195 14.454 1.00 0.00 C ATOM 57 CG1 VAL A 4 5.771 -4.852 14.739 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.554 -7.036 15.728 1.00 0.00 C ATOM 0 H VAL A 4 5.318 -9.019 13.326 1.00 0.00 H new ATOM 0 HA VAL A 4 4.640 -6.857 13.567 1.00 0.00 H new ATOM 0 HB VAL A 4 7.457 -5.993 14.099 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.318 -4.329 15.524 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.769 -4.246 13.833 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.745 -5.022 15.064 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.085 -6.470 16.493 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.555 -7.282 16.087 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.099 -7.955 15.512 1.00 0.00 H new ATOM 68 N GLY A 5 5.131 -6.833 11.017 1.00 0.00 N ATOM 69 CA GLY A 5 5.246 -6.373 9.644 1.00 0.00 C ATOM 70 C GLY A 5 3.876 -6.006 9.072 1.00 0.00 C ATOM 71 O GLY A 5 3.714 -5.903 7.857 1.00 0.00 O ATOM 0 H GLY A 5 4.387 -7.512 11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.906 -5.506 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.702 -7.152 9.033 1.00 0.00 H new ATOM 75 N LEU A 6 2.924 -5.818 9.974 1.00 0.00 N ATOM 76 CA LEU A 6 1.573 -5.464 9.574 1.00 0.00 C ATOM 77 C LEU A 6 1.369 -3.959 9.758 1.00 0.00 C ATOM 78 O LEU A 6 1.528 -3.437 10.860 1.00 0.00 O ATOM 79 CB LEU A 6 0.550 -6.319 10.326 1.00 0.00 C ATOM 80 CG LEU A 6 0.539 -6.168 11.848 1.00 0.00 C ATOM 81 CD1 LEU A 6 -0.886 -5.965 12.368 1.00 0.00 C ATOM 82 CD2 LEU A 6 1.232 -7.353 12.522 1.00 0.00 C ATOM 0 H LEU A 6 3.062 -5.904 10.981 1.00 0.00 H new ATOM 0 HA LEU A 6 1.420 -5.680 8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.444 -6.076 9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.735 -7.366 10.086 1.00 0.00 H new ATOM 0 HG LEU A 6 1.107 -5.274 12.107 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.866 -5.860 13.453 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.310 -5.064 11.924 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.498 -6.826 12.098 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.210 -7.220 13.604 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.714 -8.275 12.259 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.267 -7.409 12.184 1.00 0.00 H new ATOM 94 N SER A 7 1.019 -3.303 8.661 1.00 0.00 N ATOM 95 CA SER A 7 0.792 -1.868 8.686 1.00 0.00 C ATOM 96 C SER A 7 2.073 -1.143 9.102 1.00 0.00 C ATOM 97 O SER A 7 2.675 -1.475 10.122 1.00 0.00 O ATOM 98 CB SER A 7 -0.353 -1.509 9.635 1.00 0.00 C ATOM 99 OG SER A 7 0.107 -1.272 10.963 1.00 0.00 O ATOM 0 H SER A 7 0.887 -3.739 7.749 1.00 0.00 H new ATOM 0 HA SER A 7 0.511 -1.548 7.683 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.865 -0.621 9.265 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.084 -2.318 9.644 1.00 0.00 H new ATOM 0 HG SER A 7 0.940 -1.766 11.114 1.00 0.00 H new ATOM 105 N ALA A 8 2.452 -0.166 8.292 1.00 0.00 N ATOM 106 CA ALA A 8 3.650 0.609 8.563 1.00 0.00 C ATOM 107 C ALA A 8 4.866 -0.122 7.989 1.00 0.00 C ATOM 108 O ALA A 8 5.413 0.285 6.965 1.00 0.00 O ATOM 109 CB ALA A 8 3.772 0.851 10.069 1.00 0.00 C ATOM 0 H ALA A 8 1.950 0.107 7.447 1.00 0.00 H new ATOM 0 HA ALA A 8 3.594 1.584 8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.671 1.433 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.898 1.399 10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.834 -0.106 10.587 1.00 0.00 H new ATOM 115 N ASN A 9 5.253 -1.188 8.674 1.00 0.00 N ATOM 116 CA ASN A 9 6.393 -1.979 8.246 1.00 0.00 C ATOM 117 C ASN A 9 6.215 -2.369 6.777 1.00 0.00 C ATOM 118 O ASN A 9 7.013 -1.978 5.926 1.00 0.00 O ATOM 119 CB ASN A 9 6.510 -3.266 9.066 1.00 0.00 C ATOM 120 CG ASN A 9 7.491 -3.089 10.226 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.699 -3.073 10.055 1.00 0.00 O ATOM 122 ND2 ASN A 9 6.907 -2.958 11.414 1.00 0.00 N ATOM 0 H ASN A 9 4.797 -1.522 9.523 1.00 0.00 H new ATOM 0 HA ASN A 9 7.292 -1.379 8.387 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.530 -3.545 9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.843 -4.081 8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.476 -2.835 12.251 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.890 -2.980 11.488 1.00 0.00 H new ATOM 129 N GLN A 10 5.164 -3.135 6.525 1.00 0.00 N ATOM 130 CA GLN A 10 4.871 -3.582 5.173 1.00 0.00 C ATOM 131 C GLN A 10 4.745 -2.382 4.233 1.00 0.00 C ATOM 132 O GLN A 10 4.998 -2.498 3.035 1.00 0.00 O ATOM 133 CB GLN A 10 3.604 -4.439 5.142 1.00 0.00 C ATOM 134 CG GLN A 10 2.507 -3.828 6.015 1.00 0.00 C ATOM 135 CD GLN A 10 1.118 -4.197 5.489 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.201 -3.393 5.467 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.016 -5.455 5.068 1.00 0.00 N ATOM 0 H GLN A 10 4.505 -3.458 7.233 1.00 0.00 H new ATOM 0 HA GLN A 10 5.698 -4.203 4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.248 -4.531 4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.833 -5.446 5.491 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.616 -4.179 7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.616 -2.744 6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.824 -6.076 5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.130 -5.799 4.698 1.00 0.00 H new ATOM 146 N CYS A 11 4.354 -1.256 4.811 1.00 0.00 N ATOM 147 CA CYS A 11 4.190 -0.036 4.040 1.00 0.00 C ATOM 148 C CYS A 11 5.213 0.988 4.538 1.00 0.00 C ATOM 149 O CYS A 11 4.867 2.138 4.803 1.00 0.00 O ATOM 150 CB CYS A 11 2.760 0.500 4.124 1.00 0.00 C ATOM 151 SG CYS A 11 1.482 -0.771 4.442 1.00 0.00 S ATOM 0 H CYS A 11 4.146 -1.163 5.805 1.00 0.00 H new ATOM 0 HA CYS A 11 4.368 -0.244 2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.713 1.248 4.915 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.522 1.009 3.190 1.00 0.00 H new ATOM 156 N ALA A 12 6.452 0.532 4.649 1.00 0.00 N ATOM 157 CA ALA A 12 7.527 1.394 5.110 1.00 0.00 C ATOM 158 C ALA A 12 8.562 1.553 3.994 1.00 0.00 C ATOM 159 O ALA A 12 9.756 1.361 4.218 1.00 0.00 O ATOM 160 CB ALA A 12 8.134 0.813 6.389 1.00 0.00 C ATOM 0 H ALA A 12 6.735 -0.423 4.428 1.00 0.00 H new ATOM 0 HA ALA A 12 7.146 2.387 5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.941 1.459 6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.366 0.747 7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.529 -0.182 6.185 1.00 0.00 H new ATOM 166 N VAL A 13 8.066 1.903 2.816 1.00 0.00 N ATOM 167 CA VAL A 13 8.932 2.090 1.665 1.00 0.00 C ATOM 168 C VAL A 13 9.353 3.558 1.582 1.00 0.00 C ATOM 169 O VAL A 13 8.607 4.446 1.995 1.00 0.00 O ATOM 170 CB VAL A 13 8.232 1.596 0.397 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.218 0.888 -0.534 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.052 0.685 0.742 1.00 0.00 C ATOM 0 H VAL A 13 7.075 2.062 2.634 1.00 0.00 H new ATOM 0 HA VAL A 13 9.840 1.497 1.771 1.00 0.00 H new ATOM 0 HB VAL A 13 7.841 2.466 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.694 0.547 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.010 1.580 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.653 0.031 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.572 0.348 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.411 -0.179 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.332 1.236 1.347 1.00 0.00 H new ATOM 182 N PRO A 14 10.578 3.775 1.033 1.00 0.00 N ATOM 183 CA PRO A 14 11.107 5.121 0.891 1.00 0.00 C ATOM 184 C PRO A 14 10.422 5.861 -0.260 1.00 0.00 C ATOM 185 O PRO A 14 10.761 7.006 -0.555 1.00 0.00 O ATOM 186 CB PRO A 14 12.600 4.936 0.672 1.00 0.00 C ATOM 187 CG PRO A 14 12.781 3.491 0.237 1.00 0.00 C ATOM 188 CD PRO A 14 11.488 2.749 0.534 1.00 0.00 C ATOM 0 HA PRO A 14 10.920 5.741 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.971 5.622 -0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.157 5.142 1.586 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.015 3.439 -0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.615 3.034 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.092 2.270 -0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.643 1.964 1.274 1.00 0.00 H new ATOM 196 N ALA A 15 9.470 5.177 -0.877 1.00 0.00 N ATOM 197 CA ALA A 15 8.734 5.755 -1.989 1.00 0.00 C ATOM 198 C ALA A 15 9.480 5.467 -3.294 1.00 0.00 C ATOM 199 O ALA A 15 8.874 5.430 -4.364 1.00 0.00 O ATOM 200 CB ALA A 15 8.539 7.253 -1.748 1.00 0.00 C ATOM 0 H ALA A 15 9.191 4.228 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 15 7.744 5.306 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.987 7.687 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.979 7.403 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.512 7.738 -1.665 1.00 0.00 H new ATOM 206 N LYS A 16 10.783 5.271 -3.162 1.00 0.00 N ATOM 207 CA LYS A 16 11.618 4.987 -4.317 1.00 0.00 C ATOM 208 C LYS A 16 11.664 3.475 -4.549 1.00 0.00 C ATOM 209 O LYS A 16 12.434 2.994 -5.378 1.00 0.00 O ATOM 210 CB LYS A 16 12.998 5.626 -4.150 1.00 0.00 C ATOM 211 CG LYS A 16 13.755 4.998 -2.978 1.00 0.00 C ATOM 212 CD LYS A 16 14.288 3.612 -3.349 1.00 0.00 C ATOM 213 CE LYS A 16 15.673 3.377 -2.743 1.00 0.00 C ATOM 214 NZ LYS A 16 15.954 1.928 -2.639 1.00 0.00 N ATOM 0 H LYS A 16 11.282 5.303 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 16 11.191 5.434 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.573 5.502 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.889 6.698 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.583 5.644 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.095 4.918 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.598 2.846 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.341 3.517 -4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.433 3.857 -3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.727 3.836 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.898 1.786 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.239 1.478 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.923 1.499 -3.586 1.00 0.00 H new ATOM 228 N ASP A 17 10.828 2.769 -3.802 1.00 0.00 N ATOM 229 CA ASP A 17 10.764 1.322 -3.916 1.00 0.00 C ATOM 230 C ASP A 17 9.299 0.885 -3.986 1.00 0.00 C ATOM 231 O ASP A 17 8.976 -0.266 -3.694 1.00 0.00 O ATOM 232 CB ASP A 17 11.401 0.644 -2.701 1.00 0.00 C ATOM 233 CG ASP A 17 12.598 -0.255 -3.016 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.950 -0.333 -4.213 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.133 -0.846 -2.053 1.00 0.00 O ATOM 0 H ASP A 17 10.190 3.172 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 17 11.305 1.031 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.719 1.415 -1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.641 0.048 -2.196 1.00 0.00 H new ATOM 240 N ARG A 18 8.452 1.826 -4.375 1.00 0.00 N ATOM 241 CA ARG A 18 7.030 1.553 -4.488 1.00 0.00 C ATOM 242 C ARG A 18 6.744 0.735 -5.749 1.00 0.00 C ATOM 243 O ARG A 18 7.238 1.059 -6.828 1.00 0.00 O ATOM 244 CB ARG A 18 6.221 2.851 -4.536 1.00 0.00 C ATOM 245 CG ARG A 18 6.734 3.855 -3.501 1.00 0.00 C ATOM 246 CD ARG A 18 6.118 3.588 -2.127 1.00 0.00 C ATOM 247 NE ARG A 18 5.724 4.866 -1.492 1.00 0.00 N ATOM 248 CZ ARG A 18 5.620 5.046 -0.168 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.882 4.033 0.669 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.256 6.241 0.319 1.00 0.00 N ATOM 0 H ARG A 18 8.724 2.779 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 18 6.732 0.985 -3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.284 3.287 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.169 2.635 -4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.820 3.792 -3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.492 4.868 -3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.248 2.940 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.834 3.063 -1.494 1.00 0.00 H new ATOM 0 HE ARG A 18 5.519 5.659 -2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.161 3.124 0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.803 4.170 1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.058 7.013 -0.318 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.177 6.378 1.327 1.00 0.00 H new ATOM 264 N VAL A 19 5.949 -0.309 -5.571 1.00 0.00 N ATOM 265 CA VAL A 19 5.592 -1.176 -6.681 1.00 0.00 C ATOM 266 C VAL A 19 4.311 -0.656 -7.337 1.00 0.00 C ATOM 267 O VAL A 19 3.905 -1.146 -8.390 1.00 0.00 O ATOM 268 CB VAL A 19 5.470 -2.623 -6.198 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.714 -3.606 -7.344 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.423 -2.893 -5.032 1.00 0.00 C ATOM 0 H VAL A 19 5.542 -0.575 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 19 6.374 -1.165 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 19 4.451 -2.772 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.621 -4.627 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.979 -3.437 -8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.716 -3.455 -7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.317 -3.928 -4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.450 -2.717 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.182 -2.227 -4.204 1.00 0.00 H new ATOM 280 N ASP A 20 3.711 0.331 -6.689 1.00 0.00 N ATOM 281 CA ASP A 20 2.485 0.924 -7.196 1.00 0.00 C ATOM 282 C ASP A 20 1.450 -0.179 -7.431 1.00 0.00 C ATOM 283 O ASP A 20 1.548 -0.931 -8.399 1.00 0.00 O ATOM 284 CB ASP A 20 2.727 1.636 -8.528 1.00 0.00 C ATOM 285 CG ASP A 20 1.464 1.953 -9.332 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.447 2.280 -8.684 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.545 1.861 -10.576 1.00 0.00 O ATOM 0 H ASP A 20 4.051 0.736 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 20 2.130 1.646 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.259 2.567 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.383 1.017 -9.140 1.00 0.00 H new ATOM 292 N CYS A 21 0.482 -0.240 -6.529 1.00 0.00 N ATOM 293 CA CYS A 21 -0.570 -1.238 -6.626 1.00 0.00 C ATOM 294 C CYS A 21 -1.471 -0.872 -7.807 1.00 0.00 C ATOM 295 O CYS A 21 -2.322 -1.663 -8.211 1.00 0.00 O ATOM 296 CB CYS A 21 -1.359 -1.356 -5.320 1.00 0.00 C ATOM 297 SG CYS A 21 -1.675 -3.072 -4.768 1.00 0.00 S ATOM 0 H CYS A 21 0.404 0.386 -5.727 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.130 -2.220 -6.797 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.816 -0.831 -4.535 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.315 -0.846 -5.442 1.00 0.00 H new ATOM 302 N GLY A 22 -1.254 0.327 -8.327 1.00 0.00 N ATOM 303 CA GLY A 22 -2.036 0.807 -9.454 1.00 0.00 C ATOM 304 C GLY A 22 -3.535 0.713 -9.160 1.00 0.00 C ATOM 305 O GLY A 22 -4.205 -0.211 -9.620 1.00 0.00 O ATOM 0 H GLY A 22 -0.548 0.981 -7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.769 1.841 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.798 0.221 -10.342 1.00 0.00 H new ATOM 309 N TYR A 23 -4.017 1.682 -8.396 1.00 0.00 N ATOM 310 CA TYR A 23 -5.424 1.721 -8.036 1.00 0.00 C ATOM 311 C TYR A 23 -5.925 3.163 -7.935 1.00 0.00 C ATOM 312 O TYR A 23 -5.180 4.056 -7.532 1.00 0.00 O ATOM 313 CB TYR A 23 -5.525 1.061 -6.660 1.00 0.00 C ATOM 314 CG TYR A 23 -6.793 0.228 -6.461 1.00 0.00 C ATOM 315 CD1 TYR A 23 -7.213 -0.638 -7.451 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.517 0.341 -5.291 1.00 0.00 C ATOM 317 CE1 TYR A 23 -8.406 -1.422 -7.263 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.711 -0.443 -5.104 1.00 0.00 C ATOM 319 CZ TYR A 23 -9.096 -1.285 -6.099 1.00 0.00 C ATOM 320 OH TYR A 23 -10.223 -2.026 -5.923 1.00 0.00 O ATOM 0 H TYR A 23 -3.458 2.446 -8.016 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.027 1.213 -8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.655 0.421 -6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.487 1.835 -5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.647 -0.727 -8.366 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.188 1.017 -4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.745 -2.104 -8.029 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.287 -0.364 -4.194 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.576 -1.875 -5.022 1.00 0.00 H new ATOM 330 N PRO A 24 -7.217 3.351 -8.316 1.00 0.00 N ATOM 331 CA PRO A 24 -7.826 4.670 -8.272 1.00 0.00 C ATOM 332 C PRO A 24 -8.155 5.074 -6.833 1.00 0.00 C ATOM 333 O PRO A 24 -7.434 5.864 -6.226 1.00 0.00 O ATOM 334 CB PRO A 24 -9.057 4.564 -9.156 1.00 0.00 C ATOM 335 CG PRO A 24 -9.350 3.078 -9.288 1.00 0.00 C ATOM 336 CD PRO A 24 -8.128 2.318 -8.797 1.00 0.00 C ATOM 0 HA PRO A 24 -7.160 5.454 -8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.902 5.091 -8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.877 5.015 -10.132 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.229 2.808 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.568 2.822 -10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.389 1.619 -8.002 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.676 1.734 -9.599 1.00 0.00 H new ATOM 344 N HIS A 25 -9.245 4.513 -6.330 1.00 0.00 N ATOM 345 CA HIS A 25 -9.679 4.805 -4.974 1.00 0.00 C ATOM 346 C HIS A 25 -8.676 4.221 -3.978 1.00 0.00 C ATOM 347 O HIS A 25 -8.733 3.035 -3.656 1.00 0.00 O ATOM 348 CB HIS A 25 -11.106 4.305 -4.741 1.00 0.00 C ATOM 349 CG HIS A 25 -11.186 3.029 -3.938 1.00 0.00 C ATOM 350 ND1 HIS A 25 -11.769 2.968 -2.684 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.752 1.768 -4.222 1.00 0.00 C ATOM 352 CE1 HIS A 25 -11.683 1.722 -2.243 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.052 0.979 -3.198 1.00 0.00 N ATOM 0 H HIS A 25 -9.840 3.858 -6.837 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.705 5.884 -4.820 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.673 5.082 -4.227 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.586 4.145 -5.706 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -12.193 3.750 -2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.249 1.463 -5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.048 1.358 -1.294 1.00 0.00 H new ATOM 362 N VAL A 26 -7.780 5.081 -3.516 1.00 0.00 N ATOM 363 CA VAL A 26 -6.766 4.666 -2.562 1.00 0.00 C ATOM 364 C VAL A 26 -6.812 5.587 -1.341 1.00 0.00 C ATOM 365 O VAL A 26 -6.705 6.805 -1.474 1.00 0.00 O ATOM 366 CB VAL A 26 -5.393 4.636 -3.237 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.310 3.503 -4.262 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.071 5.985 -3.884 1.00 0.00 C ATOM 0 H VAL A 26 -7.735 6.064 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.964 3.653 -2.212 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.645 4.446 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.324 3.504 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.475 2.548 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.072 3.648 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.090 5.937 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.825 6.217 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.068 6.763 -3.121 1.00 0.00 H new ATOM 378 N THR A 27 -6.970 4.970 -0.180 1.00 0.00 N ATOM 379 CA THR A 27 -7.032 5.719 1.064 1.00 0.00 C ATOM 380 C THR A 27 -6.255 4.992 2.163 1.00 0.00 C ATOM 381 O THR A 27 -5.779 3.877 1.958 1.00 0.00 O ATOM 382 CB THR A 27 -8.506 5.944 1.408 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.840 4.838 2.242 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.422 5.785 0.193 1.00 0.00 C ATOM 0 H THR A 27 -7.057 3.959 -0.074 1.00 0.00 H new ATOM 0 HA THR A 27 -6.555 6.694 0.963 1.00 0.00 H new ATOM 0 HB THR A 27 -8.632 6.941 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.779 4.905 2.513 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.456 5.955 0.492 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.142 6.510 -0.571 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.322 4.777 -0.209 1.00 0.00 H new ATOM 392 N PRO A 28 -6.150 5.671 3.337 1.00 0.00 N ATOM 393 CA PRO A 28 -5.439 5.102 4.469 1.00 0.00 C ATOM 394 C PRO A 28 -6.266 4.003 5.140 1.00 0.00 C ATOM 395 O PRO A 28 -6.278 3.890 6.365 1.00 0.00 O ATOM 396 CB PRO A 28 -5.158 6.279 5.389 1.00 0.00 C ATOM 397 CG PRO A 28 -6.121 7.377 4.967 1.00 0.00 C ATOM 398 CD PRO A 28 -6.701 6.994 3.616 1.00 0.00 C ATOM 0 HA PRO A 28 -4.511 4.610 4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.312 6.004 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.124 6.610 5.296 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.915 7.492 5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.604 8.334 4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.790 6.971 3.645 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.418 7.711 2.846 1.00 0.00 H new ATOM 406 N LYS A 29 -6.938 3.221 4.307 1.00 0.00 N ATOM 407 CA LYS A 29 -7.766 2.136 4.804 1.00 0.00 C ATOM 408 C LYS A 29 -8.354 1.365 3.620 1.00 0.00 C ATOM 409 O LYS A 29 -8.318 0.136 3.595 1.00 0.00 O ATOM 410 CB LYS A 29 -8.821 2.668 5.776 1.00 0.00 C ATOM 411 CG LYS A 29 -9.228 1.592 6.786 1.00 0.00 C ATOM 412 CD LYS A 29 -10.606 1.019 6.449 1.00 0.00 C ATOM 413 CE LYS A 29 -11.721 1.929 6.969 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.966 1.678 8.407 1.00 0.00 N ATOM 0 H LYS A 29 -6.926 3.318 3.292 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.165 1.431 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.429 3.538 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.698 3.001 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.488 0.792 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.242 2.017 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.701 0.902 5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.708 0.026 6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.447 2.973 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.635 1.754 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.725 2.304 8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.248 0.686 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.097 1.868 8.946 1.00 0.00 H new ATOM 428 N GLU A 30 -8.882 2.120 2.668 1.00 0.00 N ATOM 429 CA GLU A 30 -9.476 1.524 1.484 1.00 0.00 C ATOM 430 C GLU A 30 -8.392 0.902 0.601 1.00 0.00 C ATOM 431 O GLU A 30 -8.594 -0.165 0.024 1.00 0.00 O ATOM 432 CB GLU A 30 -10.295 2.554 0.703 1.00 0.00 C ATOM 433 CG GLU A 30 -11.795 2.306 0.874 1.00 0.00 C ATOM 434 CD GLU A 30 -12.283 2.812 2.233 1.00 0.00 C ATOM 435 OE1 GLU A 30 -11.698 2.371 3.246 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.230 3.628 2.229 1.00 0.00 O ATOM 0 H GLU A 30 -8.911 3.139 2.693 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.156 0.733 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.047 3.558 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.033 2.506 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.343 2.808 0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.004 1.240 0.782 1.00 0.00 H new ATOM 443 N CYS A 31 -7.267 1.596 0.523 1.00 0.00 N ATOM 444 CA CYS A 31 -6.151 1.126 -0.279 1.00 0.00 C ATOM 445 C CYS A 31 -5.504 -0.057 0.444 1.00 0.00 C ATOM 446 O CYS A 31 -4.895 -0.918 -0.188 1.00 0.00 O ATOM 447 CB CYS A 31 -5.144 2.244 -0.559 1.00 0.00 C ATOM 448 SG CYS A 31 -3.445 1.672 -0.926 1.00 0.00 S ATOM 0 H CYS A 31 -7.104 2.481 1.003 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.513 0.801 -1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.503 2.835 -1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.110 2.908 0.305 1.00 0.00 H new ATOM 453 N ASN A 32 -5.657 -0.060 1.760 1.00 0.00 N ATOM 454 CA ASN A 32 -5.096 -1.123 2.577 1.00 0.00 C ATOM 455 C ASN A 32 -6.178 -2.165 2.866 1.00 0.00 C ATOM 456 O ASN A 32 -5.950 -3.109 3.620 1.00 0.00 O ATOM 457 CB ASN A 32 -4.592 -0.581 3.916 1.00 0.00 C ATOM 458 CG ASN A 32 -5.509 -1.012 5.062 1.00 0.00 C ATOM 459 OD1 ASN A 32 -6.678 -0.670 5.117 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.914 -1.780 5.971 1.00 0.00 N ATOM 0 H ASN A 32 -6.162 0.657 2.281 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.263 -1.564 2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.580 -0.941 4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.541 0.507 3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.441 -2.120 6.775 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.931 -2.029 5.864 1.00 0.00 H new ATOM 467 N ASN A 33 -7.334 -1.957 2.251 1.00 0.00 N ATOM 468 CA ASN A 33 -8.452 -2.867 2.433 1.00 0.00 C ATOM 469 C ASN A 33 -8.559 -3.787 1.215 1.00 0.00 C ATOM 470 O ASN A 33 -8.820 -4.981 1.356 1.00 0.00 O ATOM 471 CB ASN A 33 -9.770 -2.100 2.563 1.00 0.00 C ATOM 472 CG ASN A 33 -10.957 -3.061 2.648 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.810 -4.272 2.653 1.00 0.00 O ATOM 474 ND2 ASN A 33 -12.139 -2.455 2.715 1.00 0.00 N ATOM 0 H ASN A 33 -7.520 -1.172 1.627 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.276 -3.440 3.343 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.743 -1.471 3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.895 -1.437 1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.993 -3.009 2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.191 -1.436 2.706 1.00 0.00 H new ATOM 481 N ARG A 34 -8.352 -3.196 0.047 1.00 0.00 N ATOM 482 CA ARG A 34 -8.421 -3.948 -1.194 1.00 0.00 C ATOM 483 C ARG A 34 -7.377 -5.066 -1.197 1.00 0.00 C ATOM 484 O ARG A 34 -7.557 -6.086 -1.861 1.00 0.00 O ATOM 485 CB ARG A 34 -8.188 -3.039 -2.403 1.00 0.00 C ATOM 486 CG ARG A 34 -8.901 -3.582 -3.643 1.00 0.00 C ATOM 487 CD ARG A 34 -8.310 -4.928 -4.069 1.00 0.00 C ATOM 488 NE ARG A 34 -8.385 -5.070 -5.541 1.00 0.00 N ATOM 489 CZ ARG A 34 -8.022 -6.174 -6.208 1.00 0.00 C ATOM 490 NH1 ARG A 34 -7.557 -7.238 -5.540 1.00 0.00 N ATOM 491 NH2 ARG A 34 -8.124 -6.213 -7.544 1.00 0.00 N ATOM 0 H ARG A 34 -8.137 -2.205 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.420 -4.379 -1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.549 -2.035 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.119 -2.957 -2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.965 -3.697 -3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.812 -2.867 -4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.273 -5.000 -3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.853 -5.742 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.735 -4.278 -6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.479 -7.208 -4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.281 -8.078 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.478 -5.403 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.848 -7.053 -8.052 1.00 0.00 H new ATOM 505 N GLY A 35 -6.309 -4.837 -0.447 1.00 0.00 N ATOM 506 CA GLY A 35 -5.236 -5.813 -0.355 1.00 0.00 C ATOM 507 C GLY A 35 -3.921 -5.232 -0.876 1.00 0.00 C ATOM 508 O GLY A 35 -3.461 -5.599 -1.957 1.00 0.00 O ATOM 0 H GLY A 35 -6.164 -3.990 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.113 -6.128 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.498 -6.702 -0.929 1.00 0.00 H new ATOM 512 N CYS A 36 -3.352 -4.334 -0.085 1.00 0.00 N ATOM 513 CA CYS A 36 -2.098 -3.699 -0.454 1.00 0.00 C ATOM 514 C CYS A 36 -1.711 -2.721 0.657 1.00 0.00 C ATOM 515 O CYS A 36 -2.124 -2.884 1.805 1.00 0.00 O ATOM 516 CB CYS A 36 -2.193 -3.007 -1.815 1.00 0.00 C ATOM 517 SG CYS A 36 -0.861 -3.442 -2.992 1.00 0.00 S ATOM 0 H CYS A 36 -3.736 -4.031 0.810 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.321 -4.456 -0.559 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.153 -3.255 -2.267 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.183 -1.928 -1.660 1.00 0.00 H new ATOM 522 N CYS A 37 -0.921 -1.727 0.278 1.00 0.00 N ATOM 523 CA CYS A 37 -0.473 -0.723 1.228 1.00 0.00 C ATOM 524 C CYS A 37 -0.837 0.657 0.676 1.00 0.00 C ATOM 525 O CYS A 37 -0.877 0.853 -0.537 1.00 0.00 O ATOM 526 CB CYS A 37 1.025 -0.845 1.516 1.00 0.00 C ATOM 527 SG CYS A 37 1.460 -2.056 2.817 1.00 0.00 S ATOM 0 H CYS A 37 -0.580 -1.596 -0.674 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.974 -0.875 2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.536 -1.123 0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.405 0.134 1.808 1.00 0.00 H new ATOM 532 N PHE A 38 -1.094 1.577 1.594 1.00 0.00 N ATOM 533 CA PHE A 38 -1.453 2.933 1.215 1.00 0.00 C ATOM 534 C PHE A 38 -0.414 3.937 1.717 1.00 0.00 C ATOM 535 O PHE A 38 0.510 3.570 2.442 1.00 0.00 O ATOM 536 CB PHE A 38 -2.800 3.239 1.873 1.00 0.00 C ATOM 537 CG PHE A 38 -3.244 4.697 1.733 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.863 5.113 0.596 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.019 5.576 2.746 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.275 6.466 0.466 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.430 6.929 2.616 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.050 7.345 1.479 1.00 0.00 C ATOM 0 H PHE A 38 -1.061 1.410 2.600 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.502 3.015 0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.562 2.594 1.435 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.741 2.988 2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.041 4.415 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.528 5.245 3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.767 6.797 -0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.250 7.628 3.420 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.364 8.374 1.381 1.00 0.00 H new ATOM 552 N ASP A 39 -0.598 5.185 1.311 1.00 0.00 N ATOM 553 CA ASP A 39 0.312 6.244 1.711 1.00 0.00 C ATOM 554 C ASP A 39 -0.168 7.572 1.123 1.00 0.00 C ATOM 555 O ASP A 39 -0.725 7.605 0.026 1.00 0.00 O ATOM 556 CB ASP A 39 1.726 5.981 1.190 1.00 0.00 C ATOM 557 CG ASP A 39 2.706 7.143 1.363 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.108 7.378 2.523 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.031 7.770 0.332 1.00 0.00 O ATOM 0 H ASP A 39 -1.364 5.486 0.709 1.00 0.00 H new ATOM 0 HA ASP A 39 0.329 6.280 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.129 5.107 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.666 5.731 0.131 1.00 0.00 H new ATOM 564 N SER A 40 0.063 8.636 1.878 1.00 0.00 N ATOM 565 CA SER A 40 -0.339 9.963 1.446 1.00 0.00 C ATOM 566 C SER A 40 0.774 10.970 1.743 1.00 0.00 C ATOM 567 O SER A 40 0.552 12.179 1.692 1.00 0.00 O ATOM 568 CB SER A 40 -1.640 10.394 2.126 1.00 0.00 C ATOM 569 OG SER A 40 -1.486 10.525 3.537 1.00 0.00 O ATOM 0 H SER A 40 0.524 8.605 2.787 1.00 0.00 H new ATOM 0 HA SER A 40 -0.516 9.933 0.371 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.970 11.345 1.707 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.420 9.663 1.913 1.00 0.00 H new ATOM 0 HG SER A 40 -2.337 10.803 3.935 1.00 0.00 H new ATOM 575 N ARG A 41 1.947 10.435 2.047 1.00 0.00 N ATOM 576 CA ARG A 41 3.095 11.272 2.353 1.00 0.00 C ATOM 577 C ARG A 41 3.439 12.158 1.154 1.00 0.00 C ATOM 578 O ARG A 41 3.625 13.365 1.304 1.00 0.00 O ATOM 579 CB ARG A 41 4.314 10.422 2.717 1.00 0.00 C ATOM 580 CG ARG A 41 5.154 11.104 3.799 1.00 0.00 C ATOM 581 CD ARG A 41 5.759 10.073 4.754 1.00 0.00 C ATOM 582 NE ARG A 41 5.420 10.419 6.153 1.00 0.00 N ATOM 583 CZ ARG A 41 5.867 11.511 6.786 1.00 0.00 C ATOM 584 NH1 ARG A 41 6.675 12.371 6.151 1.00 0.00 N ATOM 585 NH2 ARG A 41 5.507 11.744 8.056 1.00 0.00 N ATOM 0 H ARG A 41 2.128 9.432 2.088 1.00 0.00 H new ATOM 0 HA ARG A 41 2.833 11.896 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.988 9.443 3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.924 10.255 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.950 11.685 3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.534 11.804 4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.382 9.079 4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.842 10.042 4.630 1.00 0.00 H new ATOM 0 HE ARG A 41 4.807 9.786 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.950 12.194 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.015 13.203 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.893 11.089 8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.848 12.576 8.538 1.00 0.00 H new ATOM 599 N ILE A 42 3.514 11.526 -0.007 1.00 0.00 N ATOM 600 CA ILE A 42 3.832 12.242 -1.231 1.00 0.00 C ATOM 601 C ILE A 42 3.020 11.655 -2.387 1.00 0.00 C ATOM 602 O ILE A 42 2.932 10.437 -2.533 1.00 0.00 O ATOM 603 CB ILE A 42 5.343 12.238 -1.476 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.013 11.068 -0.753 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.964 13.582 -1.090 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.485 9.729 -1.271 1.00 0.00 C ATOM 0 H ILE A 42 3.360 10.525 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 42 3.549 13.291 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 42 5.516 12.098 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.092 11.117 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.830 11.145 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.038 13.553 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.515 14.375 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.782 13.777 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.977 8.914 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.409 9.673 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.691 9.645 -2.338 1.00 0.00 H new ATOM 618 N PRO A 43 2.432 12.572 -3.201 1.00 0.00 N ATOM 619 CA PRO A 43 1.630 12.158 -4.339 1.00 0.00 C ATOM 620 C PRO A 43 2.517 11.661 -5.483 1.00 0.00 C ATOM 621 O PRO A 43 2.160 10.717 -6.185 1.00 0.00 O ATOM 622 CB PRO A 43 0.812 13.384 -4.711 1.00 0.00 C ATOM 623 CG PRO A 43 1.520 14.567 -4.071 1.00 0.00 C ATOM 624 CD PRO A 43 2.515 14.023 -3.058 1.00 0.00 C ATOM 0 HA PRO A 43 0.978 11.315 -4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.755 13.502 -5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.211 13.297 -4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.032 15.161 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.800 15.225 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.523 14.384 -3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.261 14.337 -2.045 1.00 0.00 H new ATOM 632 N GLY A 44 3.657 12.320 -5.634 1.00 0.00 N ATOM 633 CA GLY A 44 4.598 11.957 -6.680 1.00 0.00 C ATOM 634 C GLY A 44 4.672 10.438 -6.849 1.00 0.00 C ATOM 635 O GLY A 44 4.602 9.930 -7.966 1.00 0.00 O ATOM 0 H GLY A 44 3.950 13.103 -5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.296 12.417 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.586 12.348 -6.437 1.00 0.00 H new ATOM 639 N VAL A 45 4.812 9.756 -5.721 1.00 0.00 N ATOM 640 CA VAL A 45 4.896 8.306 -5.730 1.00 0.00 C ATOM 641 C VAL A 45 3.484 7.717 -5.712 1.00 0.00 C ATOM 642 O VAL A 45 2.507 8.442 -5.530 1.00 0.00 O ATOM 643 CB VAL A 45 5.759 7.825 -4.561 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.854 8.842 -4.233 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.899 7.528 -3.331 1.00 0.00 C ATOM 0 H VAL A 45 4.869 10.181 -4.796 1.00 0.00 H new ATOM 0 HA VAL A 45 5.382 7.957 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 45 6.244 6.897 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.453 8.476 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.493 8.982 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.397 9.794 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.536 7.188 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.373 8.433 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.174 6.751 -3.573 1.00 0.00 H new ATOM 655 N PRO A 46 3.419 6.373 -5.909 1.00 0.00 N ATOM 656 CA PRO A 46 2.143 5.679 -5.918 1.00 0.00 C ATOM 657 C PRO A 46 1.588 5.532 -4.499 1.00 0.00 C ATOM 658 O PRO A 46 1.911 4.574 -3.799 1.00 0.00 O ATOM 659 CB PRO A 46 2.426 4.343 -6.586 1.00 0.00 C ATOM 660 CG PRO A 46 3.931 4.148 -6.506 1.00 0.00 C ATOM 661 CD PRO A 46 4.555 5.482 -6.128 1.00 0.00 C ATOM 0 HA PRO A 46 1.371 6.225 -6.461 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.900 3.534 -6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.087 4.345 -7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.178 3.387 -5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.322 3.801 -7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.167 5.393 -5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.204 5.855 -6.921 1.00 0.00 H new ATOM 669 N TRP A 47 0.764 6.497 -4.118 1.00 0.00 N ATOM 670 CA TRP A 47 0.162 6.488 -2.796 1.00 0.00 C ATOM 671 C TRP A 47 -0.062 5.030 -2.388 1.00 0.00 C ATOM 672 O TRP A 47 0.389 4.602 -1.327 1.00 0.00 O ATOM 673 CB TRP A 47 -1.122 7.319 -2.772 1.00 0.00 C ATOM 674 CG TRP A 47 -0.907 8.785 -2.389 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.184 9.537 -2.584 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.859 9.651 -1.735 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.008 10.819 -2.105 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.274 10.890 -1.572 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.169 9.395 -1.295 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.926 11.972 -0.967 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.807 10.486 -0.693 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.233 11.740 -0.521 1.00 0.00 C ATOM 0 H TRP A 47 0.499 7.290 -4.702 1.00 0.00 H new ATOM 0 HA TRP A 47 0.825 6.956 -2.068 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.589 7.276 -3.756 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.821 6.869 -2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.088 9.184 -3.057 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.692 11.575 -2.136 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.646 8.433 -1.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.447 12.933 -0.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.817 10.343 -0.337 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.792 12.532 -0.045 1.00 0.00 H new ATOM 693 N CYS A 48 -0.759 4.308 -3.253 1.00 0.00 N ATOM 694 CA CYS A 48 -1.048 2.907 -2.997 1.00 0.00 C ATOM 695 C CYS A 48 0.038 2.062 -3.666 1.00 0.00 C ATOM 696 O CYS A 48 0.123 2.012 -4.892 1.00 0.00 O ATOM 697 CB CYS A 48 -2.448 2.521 -3.478 1.00 0.00 C ATOM 698 SG CYS A 48 -3.138 1.014 -2.703 1.00 0.00 S ATOM 0 H CYS A 48 -1.132 4.667 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.040 2.722 -1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.125 3.354 -3.286 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.419 2.376 -4.558 1.00 0.00 H new ATOM 703 N PHE A 49 0.841 1.419 -2.831 1.00 0.00 N ATOM 704 CA PHE A 49 1.918 0.578 -3.327 1.00 0.00 C ATOM 705 C PHE A 49 1.926 -0.777 -2.617 1.00 0.00 C ATOM 706 O PHE A 49 1.283 -0.944 -1.582 1.00 0.00 O ATOM 707 CB PHE A 49 3.229 1.307 -3.025 1.00 0.00 C ATOM 708 CG PHE A 49 3.315 1.870 -1.605 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.451 1.027 -0.546 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.255 3.213 -1.401 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.531 1.550 0.772 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.335 3.736 -0.083 1.00 0.00 C ATOM 713 CZ PHE A 49 3.472 2.893 0.975 1.00 0.00 C ATOM 0 H PHE A 49 0.768 1.463 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 49 1.789 0.398 -4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.060 0.619 -3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.351 2.124 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.498 -0.040 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.146 3.882 -2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.639 0.881 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.287 4.803 0.079 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.534 3.291 1.977 1.00 0.00 H new ATOM 723 N LYS A 50 2.661 -1.711 -3.203 1.00 0.00 N ATOM 724 CA LYS A 50 2.762 -3.047 -2.640 1.00 0.00 C ATOM 725 C LYS A 50 3.532 -2.982 -1.319 1.00 0.00 C ATOM 726 O LYS A 50 4.203 -1.991 -1.036 1.00 0.00 O ATOM 727 CB LYS A 50 3.368 -4.014 -3.659 1.00 0.00 C ATOM 728 CG LYS A 50 2.398 -4.273 -4.814 1.00 0.00 C ATOM 729 CD LYS A 50 2.456 -5.735 -5.261 1.00 0.00 C ATOM 730 CE LYS A 50 2.574 -5.838 -6.783 1.00 0.00 C ATOM 731 NZ LYS A 50 1.459 -6.638 -7.336 1.00 0.00 N ATOM 0 H LYS A 50 3.192 -1.569 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 50 1.771 -3.441 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.299 -3.602 -4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.616 -4.956 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.383 -4.024 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.644 -3.622 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.307 -6.229 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.560 -6.257 -4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.567 -4.841 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.526 -6.297 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.554 -6.698 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.484 -7.595 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.554 -6.184 -7.097 1.00 0.00 H new ATOM 745 N PRO A 51 3.406 -4.080 -0.526 1.00 0.00 N ATOM 746 CA PRO A 51 4.083 -4.157 0.757 1.00 0.00 C ATOM 747 C PRO A 51 5.579 -4.419 0.574 1.00 0.00 C ATOM 748 O PRO A 51 5.969 -5.407 -0.046 1.00 0.00 O ATOM 749 CB PRO A 51 3.373 -5.271 1.509 1.00 0.00 C ATOM 750 CG PRO A 51 2.639 -6.084 0.455 1.00 0.00 C ATOM 751 CD PRO A 51 2.620 -5.272 -0.830 1.00 0.00 C ATOM 0 HA PRO A 51 4.034 -3.222 1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.086 -5.890 2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.677 -4.865 2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.137 -7.040 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.623 -6.305 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.054 -5.832 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.602 -5.012 -1.119 1.00 0.00 H new ATOM 759 N LEU A 52 6.377 -3.515 1.124 1.00 0.00 N ATOM 760 CA LEU A 52 7.822 -3.635 1.029 1.00 0.00 C ATOM 761 C LEU A 52 8.210 -5.115 1.078 1.00 0.00 C ATOM 762 O LEU A 52 7.682 -5.872 1.891 1.00 0.00 O ATOM 763 CB LEU A 52 8.502 -2.785 2.103 1.00 0.00 C ATOM 764 CG LEU A 52 10.015 -2.966 2.243 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.608 -1.914 3.182 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.358 -4.389 2.688 1.00 0.00 C ATOM 0 H LEU A 52 6.050 -2.696 1.637 1.00 0.00 H new ATOM 0 HA LEU A 52 8.175 -3.243 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.300 -1.735 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.039 -3.010 3.064 1.00 0.00 H new ATOM 0 HG LEU A 52 10.469 -2.816 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.684 -2.065 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.411 -0.919 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.152 -2.008 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.439 -4.491 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.891 -4.591 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.988 -5.100 1.950 1.00 0.00 H new ATOM 778 N GLN A 53 9.130 -5.482 0.198 1.00 0.00 N ATOM 779 CA GLN A 53 9.595 -6.856 0.131 1.00 0.00 C ATOM 780 C GLN A 53 10.282 -7.249 1.441 1.00 0.00 C ATOM 781 O GLN A 53 11.509 -7.275 1.519 1.00 0.00 O ATOM 782 CB GLN A 53 10.532 -7.061 -1.061 1.00 0.00 C ATOM 783 CG GLN A 53 9.764 -7.580 -2.279 1.00 0.00 C ATOM 784 CD GLN A 53 9.644 -6.497 -3.353 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.114 -6.639 -4.470 1.00 0.00 O ATOM 786 NE2 GLN A 53 8.989 -5.410 -2.954 1.00 0.00 N ATOM 0 H GLN A 53 9.566 -4.851 -0.475 1.00 0.00 H new ATOM 0 HA GLN A 53 8.730 -7.504 -0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.022 -6.119 -1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.317 -7.768 -0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.274 -8.451 -2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.770 -7.907 -1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.621 -5.356 -2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.855 -4.630 -3.598 1.00 0.00 H new ATOM 795 N GLU A 54 9.460 -7.544 2.438 1.00 0.00 N ATOM 796 CA GLU A 54 9.973 -7.933 3.740 1.00 0.00 C ATOM 797 C GLU A 54 11.029 -9.029 3.589 1.00 0.00 C ATOM 798 O GLU A 54 10.723 -10.135 3.146 1.00 0.00 O ATOM 799 CB GLU A 54 8.839 -8.388 4.662 1.00 0.00 C ATOM 800 CG GLU A 54 8.482 -9.854 4.410 1.00 0.00 C ATOM 801 CD GLU A 54 7.147 -10.214 5.063 1.00 0.00 C ATOM 802 OE1 GLU A 54 7.083 -10.127 6.309 1.00 0.00 O ATOM 803 OE2 GLU A 54 6.220 -10.568 4.303 1.00 0.00 O ATOM 0 H GLU A 54 8.443 -7.521 2.370 1.00 0.00 H new ATOM 0 HA GLU A 54 10.444 -7.063 4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.136 -8.256 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.961 -7.763 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.428 -10.039 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.269 -10.497 4.805 1.00 0.00 H new ATOM 810 N ALA A 55 12.252 -8.684 3.964 1.00 0.00 N ATOM 811 CA ALA A 55 13.356 -9.625 3.875 1.00 0.00 C ATOM 812 C ALA A 55 14.420 -9.255 4.911 1.00 0.00 C ATOM 813 O ALA A 55 15.351 -8.510 4.612 1.00 0.00 O ATOM 814 CB ALA A 55 13.909 -9.630 2.449 1.00 0.00 C ATOM 0 H ALA A 55 12.503 -7.766 4.330 1.00 0.00 H new ATOM 0 HA ALA A 55 13.017 -10.637 4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.737 -10.336 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.123 -9.927 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.262 -8.631 2.192 1.00 0.00 H new ATOM 820 N GLU A 56 14.246 -9.794 6.109 1.00 0.00 N ATOM 821 CA GLU A 56 15.179 -9.531 7.191 1.00 0.00 C ATOM 822 C GLU A 56 16.554 -10.114 6.860 1.00 0.00 C ATOM 823 O GLU A 56 16.708 -11.331 6.761 1.00 0.00 O ATOM 824 CB GLU A 56 14.653 -10.085 8.517 1.00 0.00 C ATOM 825 CG GLU A 56 14.551 -11.611 8.471 1.00 0.00 C ATOM 826 CD GLU A 56 13.215 -12.089 9.044 1.00 0.00 C ATOM 827 OE1 GLU A 56 12.179 -11.713 8.456 1.00 0.00 O ATOM 828 OE2 GLU A 56 13.261 -12.820 10.057 1.00 0.00 O ATOM 0 H GLU A 56 13.472 -10.412 6.354 1.00 0.00 H new ATOM 0 HA GLU A 56 15.281 -8.451 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.316 -9.785 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.673 -9.658 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.653 -11.955 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.372 -12.051 9.037 1.00 0.00 H new ATOM 835 N CYS A 57 17.518 -9.220 6.698 1.00 0.00 N ATOM 836 CA CYS A 57 18.875 -9.631 6.380 1.00 0.00 C ATOM 837 C CYS A 57 19.767 -8.388 6.385 1.00 0.00 C ATOM 838 O CYS A 57 20.684 -8.281 7.197 1.00 0.00 O ATOM 839 CB CYS A 57 18.942 -10.377 5.046 1.00 0.00 C ATOM 840 SG CYS A 57 19.101 -12.194 5.190 1.00 0.00 S ATOM 0 H CYS A 57 17.386 -8.212 6.781 1.00 0.00 H new ATOM 0 HA CYS A 57 19.231 -10.335 7.133 1.00 0.00 H new ATOM 0 HB2 CYS A 57 18.043 -10.149 4.473 1.00 0.00 H new ATOM 0 HB3 CYS A 57 19.789 -9.996 4.475 1.00 0.00 H new ATOM 0 HG CYS A 57 18.154 -12.653 5.954 1.00 0.00 H new ATOM 845 N THR A 58 19.466 -7.480 5.468 1.00 0.00 N ATOM 846 CA THR A 58 20.229 -6.248 5.356 1.00 0.00 C ATOM 847 C THR A 58 19.296 -5.063 5.102 1.00 0.00 C ATOM 848 O THR A 58 18.331 -5.179 4.347 1.00 0.00 O ATOM 849 CB THR A 58 21.279 -6.441 4.259 1.00 0.00 C ATOM 850 OG1 THR A 58 22.050 -5.243 4.303 1.00 0.00 O ATOM 851 CG2 THR A 58 20.668 -6.440 2.857 1.00 0.00 C ATOM 0 H THR A 58 18.704 -7.573 4.796 1.00 0.00 H new ATOM 0 HA THR A 58 20.748 -6.018 6.287 1.00 0.00 H new ATOM 0 HB THR A 58 21.808 -7.380 4.423 1.00 0.00 H new ATOM 0 HG1 THR A 58 22.756 -5.283 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.456 -6.580 2.117 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.944 -7.251 2.775 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.168 -5.488 2.679 1.00 0.00 H new ATOM 859 N PHE A 59 19.615 -3.951 5.747 1.00 0.00 N ATOM 860 CA PHE A 59 18.816 -2.746 5.600 1.00 0.00 C ATOM 861 C PHE A 59 17.338 -3.031 5.871 1.00 0.00 C ATOM 862 O PHE A 59 16.469 -2.261 5.466 1.00 0.00 O ATOM 863 CB PHE A 59 18.976 -2.276 4.153 1.00 0.00 C ATOM 864 CG PHE A 59 19.935 -1.096 3.984 1.00 0.00 C ATOM 865 CD1 PHE A 59 21.274 -1.280 4.133 1.00 0.00 C ATOM 866 CD2 PHE A 59 19.448 0.138 3.684 1.00 0.00 C ATOM 867 CE1 PHE A 59 22.164 -0.185 3.976 1.00 0.00 C ATOM 868 CE2 PHE A 59 20.337 1.234 3.527 1.00 0.00 C ATOM 869 CZ PHE A 59 21.676 1.049 3.677 1.00 0.00 C ATOM 0 H PHE A 59 20.415 -3.859 6.372 1.00 0.00 H new ATOM 0 HA PHE A 59 19.149 -1.991 6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.332 -3.110 3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.998 -1.995 3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 59 21.661 -2.260 4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 59 18.385 0.284 3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 59 23.227 -0.332 4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 59 19.950 2.214 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 59 22.352 1.883 3.559 1.00 0.00 H new TER 879 PHE A 59