USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 554 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 40 TYR OH : rot 30:sc= -2.06! USER MOD Set 1.2: A 82 TYR OH : rot -52:sc= 1.28 USER MOD Set 2.1: A 14 TYR OH : rot 87:sc= 0.731 USER MOD Set 2.2: A 44 GLN : amide:sc= -0.538 X(o=0.19,f=-0.15) USER MOD Single : A 11 ASN : amide:sc= -1.76! C(o=-1.8!,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= 1.22 (180deg=0.782) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.542 F(o=-1.1,f=-0.54) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.7) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 50:sc= -1.9 USER MOD Single : A 70 ASN :FLIP amide:sc= -3.27! F(o=-4.3,f=-3.3!) USER MOD Single : A 73 ASN : amide:sc= -0.692 X(o=-0.69,f=-0.92) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -100:sc= 1.26 USER MOD Single : A 81 ASN : amide:sc= -0.723 K(o=-0.72,f=-1.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.679 -3.639 12.789 1.00 0.13 N ATOM 74 CA ARG A 5 -7.982 -2.767 11.850 1.00 52.04 C ATOM 75 C ARG A 5 -6.811 -3.498 11.197 1.00 22.32 C ATOM 76 O ARG A 5 -6.323 -4.511 11.699 1.00 11.30 O ATOM 77 CB ARG A 5 -7.479 -1.511 12.562 1.00 22.21 C ATOM 78 CG ARG A 5 -8.404 -0.313 12.410 1.00 62.25 C ATOM 79 CD ARG A 5 -8.594 0.415 13.731 1.00 45.24 C ATOM 80 NE ARG A 5 -9.322 -0.394 14.703 1.00 34.13 N ATOM 81 CZ ARG A 5 -9.618 0.020 15.931 1.00 60.21 C ATOM 82 NH1 ARG A 5 -9.248 1.229 16.333 1.00 74.13 N ATOM 83 NH2 ARG A 5 -10.286 -0.774 16.758 1.00 65.20 N ATOM 0 HA ARG A 5 -8.687 -2.476 11.072 1.00 52.04 H new ATOM 0 HB2 ARG A 5 -7.353 -1.730 13.622 1.00 22.21 H new ATOM 0 HB3 ARG A 5 -6.495 -1.252 12.171 1.00 22.21 H new ATOM 0 HG2 ARG A 5 -7.993 0.374 11.671 1.00 62.25 H new ATOM 0 HG3 ARG A 5 -9.372 -0.645 12.034 1.00 62.25 H new ATOM 0 HD2 ARG A 5 -7.620 0.683 14.140 1.00 45.24 H new ATOM 0 HD3 ARG A 5 -9.134 1.346 13.557 1.00 45.24 H new ATOM 0 HE ARG A 5 -9.620 -1.329 14.425 1.00 34.13 H new ATOM 0 HH11 ARG A 5 -8.736 1.842 15.699 1.00 74.13 H new ATOM 0 HH12 ARG A 5 -9.476 1.545 17.276 1.00 74.13 H new ATOM 0 HH21 ARG A 5 -10.573 -1.704 16.452 1.00 65.20 H new ATOM 0 HH22 ARG A 5 -10.512 -0.455 17.700 1.00 65.20 H new ATOM 97 N PRO A 6 -6.350 -2.973 10.054 1.00 51.35 N ATOM 98 CA PRO A 6 -5.232 -3.559 9.308 1.00 1.31 C ATOM 99 C PRO A 6 -3.902 -3.394 10.034 1.00 65.34 C ATOM 100 O PRO A 6 -3.783 -2.638 10.999 1.00 20.21 O ATOM 101 CB PRO A 6 -5.226 -2.769 7.997 1.00 24.31 C ATOM 102 CG PRO A 6 -5.861 -1.465 8.338 1.00 2.44 C ATOM 103 CD PRO A 6 -6.884 -1.766 9.398 1.00 71.52 C ATOM 0 HA PRO A 6 -5.352 -4.634 9.173 1.00 1.31 H new ATOM 0 HB2 PRO A 6 -4.212 -2.630 7.623 1.00 24.31 H new ATOM 0 HB3 PRO A 6 -5.784 -3.289 7.219 1.00 24.31 H new ATOM 0 HG2 PRO A 6 -5.120 -0.754 8.702 1.00 2.44 H new ATOM 0 HG3 PRO A 6 -6.328 -1.017 7.461 1.00 2.44 H new ATOM 0 HD2 PRO A 6 -6.989 -0.940 10.101 1.00 71.52 H new ATOM 0 HD3 PRO A 6 -7.869 -1.945 8.967 1.00 71.52 H new ATOM 111 N PRO A 7 -2.874 -4.116 9.562 1.00 0.22 N ATOM 112 CA PRO A 7 -1.533 -4.065 10.152 1.00 21.11 C ATOM 113 C PRO A 7 -0.839 -2.732 9.899 1.00 21.13 C ATOM 114 O PRO A 7 -1.284 -1.914 9.093 1.00 74.23 O ATOM 115 CB PRO A 7 -0.789 -5.198 9.441 1.00 3.53 C ATOM 116 CG PRO A 7 -1.500 -5.360 8.141 1.00 60.24 C ATOM 117 CD PRO A 7 -2.944 -5.037 8.415 1.00 44.52 C ATOM 0 HA PRO A 7 -1.561 -4.170 11.237 1.00 21.11 H new ATOM 0 HB2 PRO A 7 0.261 -4.948 9.290 1.00 3.53 H new ATOM 0 HB3 PRO A 7 -0.817 -6.118 10.025 1.00 3.53 H new ATOM 0 HG2 PRO A 7 -1.087 -4.692 7.385 1.00 60.24 H new ATOM 0 HG3 PRO A 7 -1.393 -6.376 7.762 1.00 60.24 H new ATOM 0 HD2 PRO A 7 -3.422 -4.571 7.554 1.00 44.52 H new ATOM 0 HD3 PRO A 7 -3.518 -5.932 8.653 1.00 44.52 H new ATOM 125 N PRO A 8 0.280 -2.502 10.605 1.00 53.10 N ATOM 126 CA PRO A 8 1.060 -1.269 10.472 1.00 11.04 C ATOM 127 C PRO A 8 1.771 -1.173 9.128 1.00 45.52 C ATOM 128 O PRO A 8 1.670 -2.074 8.295 1.00 51.03 O ATOM 129 CB PRO A 8 2.079 -1.371 11.610 1.00 3.02 C ATOM 130 CG PRO A 8 2.219 -2.831 11.864 1.00 73.42 C ATOM 131 CD PRO A 8 0.868 -3.432 11.584 1.00 40.42 C ATOM 0 HA PRO A 8 0.430 -0.381 10.522 1.00 11.04 H new ATOM 0 HB2 PRO A 8 3.033 -0.925 11.328 1.00 3.02 H new ATOM 0 HB3 PRO A 8 1.732 -0.846 12.500 1.00 3.02 H new ATOM 0 HG2 PRO A 8 2.982 -3.268 11.219 1.00 73.42 H new ATOM 0 HG3 PRO A 8 2.525 -3.021 12.893 1.00 73.42 H new ATOM 0 HD2 PRO A 8 0.952 -4.441 11.180 1.00 40.42 H new ATOM 0 HD3 PRO A 8 0.263 -3.500 12.488 1.00 40.42 H new ATOM 139 N VAL A 9 2.492 -0.076 8.920 1.00 1.13 N ATOM 140 CA VAL A 9 3.221 0.136 7.677 1.00 45.42 C ATOM 141 C VAL A 9 4.162 -1.028 7.386 1.00 12.52 C ATOM 142 O VAL A 9 4.728 -1.642 8.291 1.00 51.52 O ATOM 143 CB VAL A 9 4.037 1.442 7.720 1.00 10.40 C ATOM 144 CG1 VAL A 9 3.131 2.646 7.501 1.00 72.54 C ATOM 145 CG2 VAL A 9 4.785 1.560 9.039 1.00 1.23 C ATOM 0 H VAL A 9 2.586 0.680 9.598 1.00 1.13 H new ATOM 0 HA VAL A 9 2.478 0.206 6.883 1.00 45.42 H new ATOM 0 HB VAL A 9 4.770 1.418 6.914 1.00 10.40 H new ATOM 0 HG11 VAL A 9 3.725 3.559 7.535 1.00 72.54 H new ATOM 0 HG12 VAL A 9 2.646 2.564 6.528 1.00 72.54 H new ATOM 0 HG13 VAL A 9 2.372 2.678 8.283 1.00 72.54 H new ATOM 0 HG21 VAL A 9 5.356 2.488 9.052 1.00 1.23 H new ATOM 0 HG22 VAL A 9 4.072 1.561 9.863 1.00 1.23 H new ATOM 0 HG23 VAL A 9 5.464 0.715 9.149 1.00 1.23 H new ATOM 155 N PRO A 10 4.336 -1.340 6.093 1.00 42.02 N ATOM 156 CA PRO A 10 5.209 -2.431 5.652 1.00 53.51 C ATOM 157 C PRO A 10 6.685 -2.121 5.876 1.00 23.32 C ATOM 158 O PRO A 10 7.424 -1.854 4.930 1.00 54.02 O ATOM 159 CB PRO A 10 4.908 -2.545 4.156 1.00 73.25 C ATOM 160 CG PRO A 10 4.423 -1.193 3.763 1.00 24.25 C ATOM 161 CD PRO A 10 3.695 -0.650 4.961 1.00 12.23 C ATOM 0 HA PRO A 10 5.024 -3.350 6.209 1.00 53.51 H new ATOM 0 HB2 PRO A 10 5.799 -2.825 3.593 1.00 73.25 H new ATOM 0 HB3 PRO A 10 4.154 -3.308 3.961 1.00 73.25 H new ATOM 0 HG2 PRO A 10 5.255 -0.546 3.485 1.00 24.25 H new ATOM 0 HG3 PRO A 10 3.762 -1.252 2.898 1.00 24.25 H new ATOM 0 HD2 PRO A 10 3.800 0.432 5.039 1.00 12.23 H new ATOM 0 HD3 PRO A 10 2.627 -0.864 4.913 1.00 12.23 H new ATOM 169 N ASN A 11 7.109 -2.158 7.136 1.00 11.54 N ATOM 170 CA ASN A 11 8.497 -1.879 7.484 1.00 54.14 C ATOM 171 C ASN A 11 9.063 -0.763 6.611 1.00 23.21 C ATOM 172 O ASN A 11 9.713 -1.006 5.594 1.00 10.01 O ATOM 173 CB ASN A 11 9.346 -3.142 7.331 1.00 63.10 C ATOM 174 CG ASN A 11 8.954 -3.958 6.115 1.00 12.50 C ATOM 175 OD1 ASN A 11 8.092 -4.833 6.191 1.00 23.53 O ATOM 176 ND2 ASN A 11 9.590 -3.675 4.983 1.00 4.25 N ATOM 0 H ASN A 11 6.511 -2.378 7.932 1.00 11.54 H new ATOM 0 HA ASN A 11 8.527 -1.553 8.524 1.00 54.14 H new ATOM 0 HB2 ASN A 11 10.397 -2.863 7.255 1.00 63.10 H new ATOM 0 HB3 ASN A 11 9.243 -3.756 8.226 1.00 63.10 H new ATOM 0 HD21 ASN A 11 9.370 -4.192 4.132 1.00 4.25 H new ATOM 0 HD22 ASN A 11 10.298 -2.941 4.966 1.00 4.25 H new ATOM 183 N PRO A 12 8.813 0.490 7.016 1.00 20.03 N ATOM 184 CA PRO A 12 9.289 1.669 6.286 1.00 31.04 C ATOM 185 C PRO A 12 10.802 1.837 6.380 1.00 54.23 C ATOM 186 O PRO A 12 11.389 1.673 7.451 1.00 10.52 O ATOM 187 CB PRO A 12 8.578 2.831 6.984 1.00 42.33 C ATOM 188 CG PRO A 12 8.295 2.331 8.358 1.00 71.14 C ATOM 189 CD PRO A 12 8.044 0.855 8.218 1.00 71.40 C ATOM 0 HA PRO A 12 9.076 1.601 5.219 1.00 31.04 H new ATOM 0 HB2 PRO A 12 9.206 3.722 7.008 1.00 42.33 H new ATOM 0 HB3 PRO A 12 7.659 3.102 6.464 1.00 42.33 H new ATOM 0 HG2 PRO A 12 9.136 2.522 9.024 1.00 71.14 H new ATOM 0 HG3 PRO A 12 7.429 2.835 8.786 1.00 71.14 H new ATOM 0 HD2 PRO A 12 8.384 0.305 9.095 1.00 71.40 H new ATOM 0 HD3 PRO A 12 6.983 0.638 8.097 1.00 71.40 H new ATOM 197 N ASP A 13 11.428 2.163 5.256 1.00 41.14 N ATOM 198 CA ASP A 13 12.873 2.355 5.213 1.00 55.11 C ATOM 199 C ASP A 13 13.229 3.645 4.480 1.00 21.34 C ATOM 200 O ASP A 13 13.994 3.634 3.517 1.00 24.12 O ATOM 201 CB ASP A 13 13.547 1.165 4.527 1.00 35.30 C ATOM 202 CG ASP A 13 15.019 1.056 4.868 1.00 2.24 C ATOM 203 OD1 ASP A 13 15.724 2.085 4.791 1.00 12.44 O ATOM 204 OD2 ASP A 13 15.469 -0.056 5.215 1.00 32.11 O ATOM 0 H ASP A 13 10.958 2.300 4.361 1.00 41.14 H new ATOM 0 HA ASP A 13 13.235 2.428 6.239 1.00 55.11 H new ATOM 0 HB2 ASP A 13 13.040 0.246 4.821 1.00 35.30 H new ATOM 0 HB3 ASP A 13 13.434 1.260 3.447 1.00 35.30 H new ATOM 210 N TYR A 14 12.667 4.756 4.946 1.00 40.10 N ATOM 211 CA TYR A 14 12.922 6.056 4.335 1.00 75.50 C ATOM 212 C TYR A 14 13.887 6.877 5.185 1.00 53.42 C ATOM 213 O TYR A 14 14.493 7.833 4.704 1.00 24.45 O ATOM 214 CB TYR A 14 11.611 6.820 4.147 1.00 10.14 C ATOM 215 CG TYR A 14 10.742 6.845 5.385 1.00 12.41 C ATOM 216 CD1 TYR A 14 11.152 7.514 6.532 1.00 1.11 C ATOM 217 CD2 TYR A 14 9.512 6.200 5.407 1.00 25.32 C ATOM 218 CE1 TYR A 14 10.363 7.538 7.664 1.00 31.24 C ATOM 219 CE2 TYR A 14 8.714 6.220 6.535 1.00 23.21 C ATOM 220 CZ TYR A 14 9.144 6.891 7.662 1.00 43.41 C ATOM 221 OH TYR A 14 8.354 6.914 8.788 1.00 41.15 O ATOM 0 H TYR A 14 12.032 4.782 5.744 1.00 40.10 H new ATOM 0 HA TYR A 14 13.379 5.888 3.360 1.00 75.50 H new ATOM 0 HB2 TYR A 14 11.836 7.844 3.851 1.00 10.14 H new ATOM 0 HB3 TYR A 14 11.051 6.368 3.329 1.00 10.14 H new ATOM 0 HD1 TYR A 14 12.104 8.024 6.538 1.00 1.11 H new ATOM 0 HD2 TYR A 14 9.173 5.674 4.527 1.00 25.32 H new ATOM 0 HE1 TYR A 14 10.698 8.061 8.548 1.00 31.24 H new ATOM 0 HE2 TYR A 14 7.760 5.714 6.535 1.00 23.21 H new ATOM 0 HH TYR A 14 7.790 7.715 8.776 1.00 41.15 H new ATOM 491 N GLU A 31 4.271 8.381 -16.290 1.00 33.34 N ATOM 492 CA GLU A 31 2.924 8.924 -16.156 1.00 23.24 C ATOM 493 C GLU A 31 1.989 7.906 -15.511 1.00 1.32 C ATOM 494 O GLU A 31 0.987 7.503 -16.103 1.00 22.12 O ATOM 495 CB GLU A 31 2.379 9.340 -17.523 1.00 52.31 C ATOM 496 CG GLU A 31 3.380 10.110 -18.368 1.00 51.43 C ATOM 497 CD GLU A 31 2.780 11.356 -18.990 1.00 73.01 C ATOM 498 OE1 GLU A 31 2.655 12.374 -18.278 1.00 22.43 O ATOM 499 OE2 GLU A 31 2.436 11.315 -20.190 1.00 61.12 O ATOM 0 HA GLU A 31 2.976 9.802 -15.512 1.00 23.24 H new ATOM 0 HB2 GLU A 31 2.067 8.449 -18.067 1.00 52.31 H new ATOM 0 HB3 GLU A 31 1.490 9.954 -17.379 1.00 52.31 H new ATOM 0 HG2 GLU A 31 4.232 10.391 -17.749 1.00 51.43 H new ATOM 0 HG3 GLU A 31 3.759 9.461 -19.157 1.00 51.43 H new ATOM 506 N VAL A 32 2.322 7.493 -14.293 1.00 22.43 N ATOM 507 CA VAL A 32 1.513 6.522 -13.566 1.00 31.33 C ATOM 508 C VAL A 32 0.711 7.195 -12.458 1.00 52.32 C ATOM 509 O VAL A 32 1.062 8.281 -11.993 1.00 73.41 O ATOM 510 CB VAL A 32 2.386 5.412 -12.950 1.00 31.00 C ATOM 511 CG1 VAL A 32 1.526 4.231 -12.524 1.00 2.23 C ATOM 512 CG2 VAL A 32 3.460 4.972 -13.933 1.00 51.25 C ATOM 0 H VAL A 32 3.147 7.816 -13.788 1.00 22.43 H new ATOM 0 HA VAL A 32 0.828 6.077 -14.288 1.00 31.33 H new ATOM 0 HB VAL A 32 2.879 5.811 -12.063 1.00 31.00 H new ATOM 0 HG11 VAL A 32 2.160 3.457 -12.091 1.00 2.23 H new ATOM 0 HG12 VAL A 32 0.798 4.560 -11.783 1.00 2.23 H new ATOM 0 HG13 VAL A 32 1.004 3.829 -13.392 1.00 2.23 H new ATOM 0 HG21 VAL A 32 4.067 4.188 -13.481 1.00 51.25 H new ATOM 0 HG22 VAL A 32 2.990 4.590 -14.839 1.00 51.25 H new ATOM 0 HG23 VAL A 32 4.094 5.822 -14.184 1.00 51.25 H new ATOM 522 N ILE A 33 -0.370 6.544 -12.038 1.00 4.21 N ATOM 523 CA ILE A 33 -1.222 7.080 -10.984 1.00 23.20 C ATOM 524 C ILE A 33 -1.699 5.974 -10.049 1.00 72.53 C ATOM 525 O ILE A 33 -2.137 4.914 -10.496 1.00 71.45 O ATOM 526 CB ILE A 33 -2.448 7.809 -11.566 1.00 73.52 C ATOM 527 CG1 ILE A 33 -2.016 9.101 -12.263 1.00 23.14 C ATOM 528 CG2 ILE A 33 -3.459 8.103 -10.469 1.00 2.45 C ATOM 529 CD1 ILE A 33 -3.152 9.825 -12.951 1.00 32.34 C ATOM 0 H ILE A 33 -0.676 5.645 -12.412 1.00 4.21 H new ATOM 0 HA ILE A 33 -0.619 7.793 -10.423 1.00 23.20 H new ATOM 0 HB ILE A 33 -2.922 7.162 -12.304 1.00 73.52 H new ATOM 0 HG12 ILE A 33 -1.563 9.767 -11.528 1.00 23.14 H new ATOM 0 HG13 ILE A 33 -1.246 8.868 -12.999 1.00 23.14 H new ATOM 0 HG21 ILE A 33 -4.319 8.618 -10.896 1.00 2.45 H new ATOM 0 HG22 ILE A 33 -3.785 7.167 -10.014 1.00 2.45 H new ATOM 0 HG23 ILE A 33 -2.998 8.734 -9.709 1.00 2.45 H new ATOM 0 HD11 ILE A 33 -2.773 10.731 -13.423 1.00 32.34 H new ATOM 0 HD12 ILE A 33 -3.590 9.177 -13.710 1.00 32.34 H new ATOM 0 HD13 ILE A 33 -3.913 10.090 -12.216 1.00 32.34 H new ATOM 541 N VAL A 34 -1.613 6.228 -8.746 1.00 44.41 N ATOM 542 CA VAL A 34 -2.039 5.256 -7.747 1.00 13.23 C ATOM 543 C VAL A 34 -3.228 5.776 -6.948 1.00 64.52 C ATOM 544 O VAL A 34 -3.501 6.976 -6.931 1.00 10.21 O ATOM 545 CB VAL A 34 -0.894 4.909 -6.778 1.00 31.22 C ATOM 546 CG1 VAL A 34 -0.695 6.027 -5.765 1.00 21.22 C ATOM 547 CG2 VAL A 34 -1.170 3.587 -6.079 1.00 31.53 C ATOM 0 H VAL A 34 -1.252 7.100 -8.358 1.00 44.41 H new ATOM 0 HA VAL A 34 -2.333 4.355 -8.286 1.00 13.23 H new ATOM 0 HB VAL A 34 0.026 4.804 -7.353 1.00 31.22 H new ATOM 0 HG11 VAL A 34 0.118 5.764 -5.088 1.00 21.22 H new ATOM 0 HG12 VAL A 34 -0.448 6.951 -6.287 1.00 21.22 H new ATOM 0 HG13 VAL A 34 -1.612 6.167 -5.193 1.00 21.22 H new ATOM 0 HG21 VAL A 34 -0.350 3.357 -5.398 1.00 31.53 H new ATOM 0 HG22 VAL A 34 -2.100 3.661 -5.516 1.00 31.53 H new ATOM 0 HG23 VAL A 34 -1.257 2.794 -6.822 1.00 31.53 H new ATOM 557 N ILE A 35 -3.932 4.864 -6.285 1.00 42.23 N ATOM 558 CA ILE A 35 -5.091 5.230 -5.480 1.00 15.30 C ATOM 559 C ILE A 35 -4.973 4.681 -4.062 1.00 11.52 C ATOM 560 O ILE A 35 -4.779 3.482 -3.864 1.00 12.44 O ATOM 561 CB ILE A 35 -6.398 4.715 -6.110 1.00 55.32 C ATOM 562 CG1 ILE A 35 -6.355 4.877 -7.632 1.00 70.51 C ATOM 563 CG2 ILE A 35 -7.594 5.455 -5.529 1.00 70.32 C ATOM 564 CD1 ILE A 35 -6.073 6.293 -8.082 1.00 73.05 C ATOM 0 H ILE A 35 -3.720 3.866 -6.290 1.00 42.23 H new ATOM 0 HA ILE A 35 -5.118 6.319 -5.444 1.00 15.30 H new ATOM 0 HB ILE A 35 -6.502 3.655 -5.878 1.00 55.32 H new ATOM 0 HG12 ILE A 35 -5.589 4.216 -8.038 1.00 70.51 H new ATOM 0 HG13 ILE A 35 -7.308 4.555 -8.050 1.00 70.51 H new ATOM 0 HG21 ILE A 35 -8.510 5.080 -5.984 1.00 70.32 H new ATOM 0 HG22 ILE A 35 -7.632 5.295 -4.451 1.00 70.32 H new ATOM 0 HG23 ILE A 35 -7.497 6.521 -5.734 1.00 70.32 H new ATOM 0 HD11 ILE A 35 -6.057 6.332 -9.171 1.00 73.05 H new ATOM 0 HD12 ILE A 35 -6.852 6.956 -7.706 1.00 73.05 H new ATOM 0 HD13 ILE A 35 -5.106 6.612 -7.693 1.00 73.05 H new ATOM 576 N ALA A 36 -5.092 5.568 -3.080 1.00 72.31 N ATOM 577 CA ALA A 36 -5.002 5.171 -1.679 1.00 63.11 C ATOM 578 C ALA A 36 -6.233 4.378 -1.253 1.00 74.41 C ATOM 579 O ALA A 36 -7.334 4.921 -1.164 1.00 71.11 O ATOM 580 CB ALA A 36 -4.828 6.396 -0.794 1.00 63.24 C ATOM 0 H ALA A 36 -5.251 6.565 -3.227 1.00 72.31 H new ATOM 0 HA ALA A 36 -4.130 4.527 -1.564 1.00 63.11 H new ATOM 0 HB1 ALA A 36 -4.762 6.085 0.249 1.00 63.24 H new ATOM 0 HB2 ALA A 36 -3.915 6.921 -1.075 1.00 63.24 H new ATOM 0 HB3 ALA A 36 -5.682 7.061 -0.921 1.00 63.24 H new ATOM 586 N LYS A 37 -6.039 3.089 -0.992 1.00 25.23 N ATOM 587 CA LYS A 37 -7.134 2.221 -0.575 1.00 64.22 C ATOM 588 C LYS A 37 -7.901 2.835 0.592 1.00 12.11 C ATOM 589 O LYS A 37 -9.118 2.679 0.696 1.00 75.32 O ATOM 590 CB LYS A 37 -6.595 0.845 -0.177 1.00 62.30 C ATOM 591 CG LYS A 37 -6.226 -0.031 -1.361 1.00 73.24 C ATOM 592 CD LYS A 37 -5.089 -0.980 -1.021 1.00 3.32 C ATOM 593 CE LYS A 37 -5.356 -1.726 0.278 1.00 42.43 C ATOM 594 NZ LYS A 37 -4.342 -2.788 0.525 1.00 12.30 N ATOM 0 H LYS A 37 -5.134 2.623 -1.062 1.00 25.23 H new ATOM 0 HA LYS A 37 -7.818 2.109 -1.417 1.00 64.22 H new ATOM 0 HB2 LYS A 37 -5.716 0.977 0.454 1.00 62.30 H new ATOM 0 HB3 LYS A 37 -7.345 0.331 0.425 1.00 62.30 H new ATOM 0 HG2 LYS A 37 -7.098 -0.605 -1.676 1.00 73.24 H new ATOM 0 HG3 LYS A 37 -5.937 0.597 -2.203 1.00 73.24 H new ATOM 0 HD2 LYS A 37 -4.956 -1.696 -1.832 1.00 3.32 H new ATOM 0 HD3 LYS A 37 -4.158 -0.419 -0.935 1.00 3.32 H new ATOM 0 HE2 LYS A 37 -5.353 -1.021 1.109 1.00 42.43 H new ATOM 0 HE3 LYS A 37 -6.349 -2.173 0.243 1.00 42.43 H new ATOM 0 HZ1 LYS A 37 -4.792 -3.593 1.005 1.00 12.30 H new ATOM 0 HZ2 LYS A 37 -3.943 -3.104 -0.382 1.00 12.30 H new ATOM 0 HZ3 LYS A 37 -3.581 -2.409 1.125 1.00 12.30 H new ATOM 608 N TRP A 38 -7.185 3.534 1.464 1.00 52.35 N ATOM 609 CA TRP A 38 -7.800 4.173 2.621 1.00 52.31 C ATOM 610 C TRP A 38 -7.131 5.508 2.925 1.00 25.41 C ATOM 611 O TRP A 38 -6.342 6.014 2.126 1.00 0.13 O ATOM 612 CB TRP A 38 -7.714 3.256 3.842 1.00 54.14 C ATOM 613 CG TRP A 38 -7.224 1.878 3.514 1.00 24.41 C ATOM 614 CD1 TRP A 38 -5.944 1.415 3.629 1.00 31.23 C ATOM 615 CD2 TRP A 38 -8.004 0.784 3.019 1.00 11.44 C ATOM 616 NE1 TRP A 38 -5.881 0.100 3.235 1.00 34.10 N ATOM 617 CE2 TRP A 38 -7.132 -0.310 2.856 1.00 12.25 C ATOM 618 CE3 TRP A 38 -9.354 0.624 2.697 1.00 74.01 C ATOM 619 CZ2 TRP A 38 -7.569 -1.545 2.386 1.00 71.31 C ATOM 620 CZ3 TRP A 38 -9.786 -0.603 2.229 1.00 23.13 C ATOM 621 CH2 TRP A 38 -8.896 -1.675 2.078 1.00 24.41 C ATOM 0 H TRP A 38 -6.177 3.673 1.392 1.00 52.35 H new ATOM 0 HA TRP A 38 -8.849 4.358 2.388 1.00 52.31 H new ATOM 0 HB2 TRP A 38 -7.048 3.705 4.579 1.00 54.14 H new ATOM 0 HB3 TRP A 38 -8.699 3.184 4.304 1.00 54.14 H new ATOM 0 HD1 TRP A 38 -5.104 1.997 3.978 1.00 31.23 H new ATOM 0 HE1 TRP A 38 -5.040 -0.477 3.226 1.00 34.10 H new ATOM 0 HE3 TRP A 38 -10.048 1.444 2.812 1.00 74.01 H new ATOM 0 HZ2 TRP A 38 -6.885 -2.372 2.268 1.00 71.31 H new ATOM 0 HZ3 TRP A 38 -10.827 -0.738 1.975 1.00 23.13 H new ATOM 0 HH2 TRP A 38 -9.264 -2.622 1.712 1.00 24.41 H new ATOM 632 N ASP A 39 -7.450 6.074 4.084 1.00 4.13 N ATOM 633 CA ASP A 39 -6.878 7.352 4.494 1.00 43.30 C ATOM 634 C ASP A 39 -5.758 7.144 5.511 1.00 12.13 C ATOM 635 O ASP A 39 -5.927 6.426 6.497 1.00 14.54 O ATOM 636 CB ASP A 39 -7.961 8.254 5.087 1.00 22.22 C ATOM 637 CG ASP A 39 -8.972 7.478 5.910 1.00 1.12 C ATOM 638 OD1 ASP A 39 -8.604 6.991 6.999 1.00 1.31 O ATOM 639 OD2 ASP A 39 -10.133 7.363 5.464 1.00 32.43 O ATOM 0 H ASP A 39 -8.101 5.668 4.756 1.00 4.13 H new ATOM 0 HA ASP A 39 -6.459 7.834 3.611 1.00 43.30 H new ATOM 0 HB2 ASP A 39 -7.494 9.015 5.713 1.00 22.22 H new ATOM 0 HB3 ASP A 39 -8.477 8.776 4.281 1.00 22.22 H new ATOM 645 N TYR A 40 -4.617 7.776 5.262 1.00 25.22 N ATOM 646 CA TYR A 40 -3.469 7.658 6.154 1.00 75.14 C ATOM 647 C TYR A 40 -2.971 9.033 6.587 1.00 11.33 C ATOM 648 O TYR A 40 -3.222 10.037 5.919 1.00 51.24 O ATOM 649 CB TYR A 40 -2.340 6.889 5.467 1.00 51.25 C ATOM 650 CG TYR A 40 -1.523 6.038 6.412 1.00 73.44 C ATOM 651 CD1 TYR A 40 -2.136 5.119 7.256 1.00 21.43 C ATOM 652 CD2 TYR A 40 -0.139 6.150 6.461 1.00 4.42 C ATOM 653 CE1 TYR A 40 -1.394 4.341 8.123 1.00 71.53 C ATOM 654 CE2 TYR A 40 0.612 5.374 7.324 1.00 14.01 C ATOM 655 CZ TYR A 40 -0.020 4.471 8.154 1.00 54.34 C ATOM 656 OH TYR A 40 0.722 3.696 9.014 1.00 53.12 O ATOM 0 H TYR A 40 -4.462 8.375 4.451 1.00 25.22 H new ATOM 0 HA TYR A 40 -3.786 7.110 7.041 1.00 75.14 H new ATOM 0 HB2 TYR A 40 -2.766 6.251 4.693 1.00 51.25 H new ATOM 0 HB3 TYR A 40 -1.680 7.599 4.968 1.00 51.25 H new ATOM 0 HD1 TYR A 40 -3.210 5.012 7.233 1.00 21.43 H new ATOM 0 HD2 TYR A 40 0.359 6.856 5.813 1.00 4.42 H new ATOM 0 HE1 TYR A 40 -1.887 3.634 8.774 1.00 71.53 H new ATOM 0 HE2 TYR A 40 1.687 5.474 7.348 1.00 14.01 H new ATOM 0 HH TYR A 40 0.266 2.841 9.160 1.00 53.12 H new ATOM 666 N THR A 41 -2.264 9.073 7.712 1.00 72.15 N ATOM 667 CA THR A 41 -1.731 10.323 8.235 1.00 1.25 C ATOM 668 C THR A 41 -0.206 10.318 8.228 1.00 52.31 C ATOM 669 O THR A 41 0.423 9.394 8.742 1.00 15.12 O ATOM 670 CB THR A 41 -2.225 10.588 9.670 1.00 61.52 C ATOM 671 OG1 THR A 41 -3.648 10.448 9.731 1.00 64.33 O ATOM 672 CG2 THR A 41 -1.827 11.981 10.132 1.00 5.52 C ATOM 0 H THR A 41 -2.048 8.253 8.278 1.00 72.15 H new ATOM 0 HA THR A 41 -2.092 11.117 7.581 1.00 1.25 H new ATOM 0 HB THR A 41 -1.759 9.857 10.331 1.00 61.52 H new ATOM 0 HG1 THR A 41 -3.954 10.616 10.647 1.00 64.33 H new ATOM 0 HG21 THR A 41 -2.187 12.144 11.148 1.00 5.52 H new ATOM 0 HG22 THR A 41 -0.741 12.074 10.113 1.00 5.52 H new ATOM 0 HG23 THR A 41 -2.267 12.724 9.467 1.00 5.52 H new ATOM 680 N ALA A 42 0.382 11.356 7.642 1.00 13.20 N ATOM 681 CA ALA A 42 1.834 11.471 7.570 1.00 30.02 C ATOM 682 C ALA A 42 2.459 11.397 8.959 1.00 34.33 C ATOM 683 O ALA A 42 2.461 12.378 9.702 1.00 2.53 O ATOM 684 CB ALA A 42 2.226 12.769 6.881 1.00 4.22 C ATOM 0 H ALA A 42 -0.124 12.129 7.210 1.00 13.20 H new ATOM 0 HA ALA A 42 2.213 10.633 6.985 1.00 30.02 H new ATOM 0 HB1 ALA A 42 3.313 12.842 6.834 1.00 4.22 H new ATOM 0 HB2 ALA A 42 1.817 12.782 5.871 1.00 4.22 H new ATOM 0 HB3 ALA A 42 1.829 13.614 7.444 1.00 4.22 H new ATOM 690 N GLN A 43 2.988 10.227 9.303 1.00 21.11 N ATOM 691 CA GLN A 43 3.615 10.026 10.604 1.00 35.51 C ATOM 692 C GLN A 43 4.750 11.020 10.821 1.00 43.43 C ATOM 693 O GLN A 43 5.045 11.402 11.952 1.00 25.31 O ATOM 694 CB GLN A 43 4.144 8.596 10.724 1.00 51.04 C ATOM 695 CG GLN A 43 4.924 8.132 9.505 1.00 50.41 C ATOM 696 CD GLN A 43 4.205 7.045 8.729 1.00 4.52 C ATOM 697 OE1 GLN A 43 3.619 7.414 7.596 1.00 42.03 O flip ATOM 698 NE2 GLN A 43 4.175 5.886 9.144 1.00 4.32 N flip ATOM 0 H GLN A 43 2.995 9.405 8.699 1.00 21.11 H new ATOM 0 HA GLN A 43 2.859 10.192 11.372 1.00 35.51 H new ATOM 0 HB2 GLN A 43 4.785 8.527 11.603 1.00 51.04 H new ATOM 0 HB3 GLN A 43 3.305 7.920 10.887 1.00 51.04 H new ATOM 0 HG2 GLN A 43 5.104 8.983 8.848 1.00 50.41 H new ATOM 0 HG3 GLN A 43 5.899 7.762 9.822 1.00 50.41 H new ATOM 0 HE21 GLN A 43 4.639 5.646 10.020 1.00 4.32 H new ATOM 0 HE22 GLN A 43 3.686 5.166 8.612 1.00 4.32 H new ATOM 707 N GLN A 44 5.385 11.434 9.728 1.00 54.23 N ATOM 708 CA GLN A 44 6.488 12.384 9.800 1.00 10.21 C ATOM 709 C GLN A 44 6.365 13.445 8.711 1.00 33.53 C ATOM 710 O GLN A 44 5.339 13.543 8.040 1.00 35.04 O ATOM 711 CB GLN A 44 7.826 11.653 9.665 1.00 35.42 C ATOM 712 CG GLN A 44 7.946 10.434 10.566 1.00 31.21 C ATOM 713 CD GLN A 44 9.196 9.622 10.286 1.00 23.52 C ATOM 714 OE1 GLN A 44 10.078 10.056 9.544 1.00 55.15 O ATOM 715 NE2 GLN A 44 9.278 8.438 10.880 1.00 4.15 N ATOM 0 H GLN A 44 5.154 11.126 8.783 1.00 54.23 H new ATOM 0 HA GLN A 44 6.446 12.878 10.771 1.00 10.21 H new ATOM 0 HB2 GLN A 44 7.958 11.343 8.628 1.00 35.42 H new ATOM 0 HB3 GLN A 44 8.635 12.346 9.896 1.00 35.42 H new ATOM 0 HG2 GLN A 44 7.952 10.756 11.607 1.00 31.21 H new ATOM 0 HG3 GLN A 44 7.069 9.801 10.433 1.00 31.21 H new ATOM 0 HE21 GLN A 44 8.523 8.119 11.487 1.00 4.15 H new ATOM 0 HE22 GLN A 44 10.096 7.848 10.730 1.00 4.15 H new ATOM 724 N ASP A 45 7.417 14.239 8.545 1.00 31.01 N ATOM 725 CA ASP A 45 7.426 15.294 7.538 1.00 11.21 C ATOM 726 C ASP A 45 7.824 14.740 6.174 1.00 63.21 C ATOM 727 O ASP A 45 7.491 15.316 5.138 1.00 74.40 O ATOM 728 CB ASP A 45 8.386 16.412 7.948 1.00 24.53 C ATOM 729 CG ASP A 45 7.815 17.293 9.042 1.00 10.14 C ATOM 730 OD1 ASP A 45 7.353 16.746 10.065 1.00 24.33 O ATOM 731 OD2 ASP A 45 7.829 18.530 8.874 1.00 13.40 O ATOM 0 H ASP A 45 8.274 14.172 9.094 1.00 31.01 H new ATOM 0 HA ASP A 45 6.417 15.701 7.465 1.00 11.21 H new ATOM 0 HB2 ASP A 45 9.324 15.974 8.290 1.00 24.53 H new ATOM 0 HB3 ASP A 45 8.619 17.024 7.077 1.00 24.53 H new ATOM 737 N GLN A 46 8.542 13.621 6.182 1.00 10.21 N ATOM 738 CA GLN A 46 8.988 12.991 4.944 1.00 20.23 C ATOM 739 C GLN A 46 7.834 12.270 4.255 1.00 34.12 C ATOM 740 O GLN A 46 7.737 12.268 3.028 1.00 43.04 O ATOM 741 CB GLN A 46 10.123 12.006 5.229 1.00 2.40 C ATOM 742 CG GLN A 46 11.502 12.557 4.903 1.00 43.20 C ATOM 743 CD GLN A 46 12.395 12.658 6.125 1.00 41.40 C ATOM 744 OE1 GLN A 46 12.102 13.402 7.061 1.00 12.41 O ATOM 745 NE2 GLN A 46 13.491 11.908 6.121 1.00 14.20 N ATOM 0 H GLN A 46 8.827 13.132 7.031 1.00 10.21 H new ATOM 0 HA GLN A 46 9.354 13.773 4.278 1.00 20.23 H new ATOM 0 HB2 GLN A 46 10.093 11.724 6.282 1.00 2.40 H new ATOM 0 HB3 GLN A 46 9.958 11.097 4.651 1.00 2.40 H new ATOM 0 HG2 GLN A 46 11.979 11.916 4.161 1.00 43.20 H new ATOM 0 HG3 GLN A 46 11.397 13.544 4.452 1.00 43.20 H new ATOM 0 HE21 GLN A 46 13.694 11.306 5.323 1.00 14.20 H new ATOM 0 HE22 GLN A 46 14.130 11.934 6.916 1.00 14.20 H new ATOM 754 N GLU A 47 6.963 11.659 5.052 1.00 21.21 N ATOM 755 CA GLU A 47 5.817 10.935 4.517 1.00 71.35 C ATOM 756 C GLU A 47 4.717 11.899 4.080 1.00 65.35 C ATOM 757 O GLU A 47 4.775 13.095 4.369 1.00 64.01 O ATOM 758 CB GLU A 47 5.270 9.959 5.560 1.00 31.23 C ATOM 759 CG GLU A 47 6.227 8.829 5.899 1.00 30.44 C ATOM 760 CD GLU A 47 7.370 9.278 6.789 1.00 1.25 C ATOM 761 OE1 GLU A 47 7.208 9.245 8.025 1.00 32.14 O ATOM 762 OE2 GLU A 47 8.427 9.664 6.246 1.00 51.30 O ATOM 0 H GLU A 47 7.030 11.651 6.070 1.00 21.21 H new ATOM 0 HA GLU A 47 6.151 10.374 3.644 1.00 71.35 H new ATOM 0 HB2 GLU A 47 5.034 10.509 6.471 1.00 31.23 H new ATOM 0 HB3 GLU A 47 4.336 9.534 5.193 1.00 31.23 H new ATOM 0 HG2 GLU A 47 5.677 8.029 6.396 1.00 30.44 H new ATOM 0 HG3 GLU A 47 6.632 8.412 4.977 1.00 30.44 H new ATOM 769 N LEU A 48 3.719 11.370 3.383 1.00 14.41 N ATOM 770 CA LEU A 48 2.605 12.184 2.905 1.00 32.11 C ATOM 771 C LEU A 48 1.285 11.703 3.501 1.00 11.33 C ATOM 772 O LEU A 48 1.174 10.564 3.953 1.00 64.15 O ATOM 773 CB LEU A 48 2.534 12.141 1.379 1.00 50.45 C ATOM 774 CG LEU A 48 2.092 13.432 0.690 1.00 75.22 C ATOM 775 CD1 LEU A 48 2.733 13.551 -0.685 1.00 32.23 C ATOM 776 CD2 LEU A 48 0.576 13.485 0.580 1.00 13.43 C ATOM 0 H LEU A 48 3.657 10.382 3.136 1.00 14.41 H new ATOM 0 HA LEU A 48 2.774 13.212 3.225 1.00 32.11 H new ATOM 0 HB2 LEU A 48 3.518 11.868 0.997 1.00 50.45 H new ATOM 0 HB3 LEU A 48 1.848 11.345 1.090 1.00 50.45 H new ATOM 0 HG LEU A 48 2.422 14.276 1.296 1.00 75.22 H new ATOM 0 HD11 LEU A 48 2.406 14.476 -1.160 1.00 32.23 H new ATOM 0 HD12 LEU A 48 3.818 13.560 -0.581 1.00 32.23 H new ATOM 0 HD13 LEU A 48 2.434 12.702 -1.300 1.00 32.23 H new ATOM 0 HD21 LEU A 48 0.279 14.411 0.087 1.00 13.43 H new ATOM 0 HD22 LEU A 48 0.224 12.634 -0.003 1.00 13.43 H new ATOM 0 HD23 LEU A 48 0.137 13.448 1.577 1.00 13.43 H new ATOM 788 N ASP A 49 0.286 12.579 3.496 1.00 42.42 N ATOM 789 CA ASP A 49 -1.027 12.244 4.032 1.00 0.03 C ATOM 790 C ASP A 49 -2.066 12.163 2.917 1.00 1.43 C ATOM 791 O ASP A 49 -2.287 13.133 2.191 1.00 64.43 O ATOM 792 CB ASP A 49 -1.457 13.280 5.071 1.00 10.04 C ATOM 793 CG ASP A 49 -0.497 14.450 5.154 1.00 1.25 C ATOM 794 OD1 ASP A 49 -0.353 15.172 4.145 1.00 41.41 O ATOM 795 OD2 ASP A 49 0.110 14.645 6.229 1.00 54.41 O ATOM 0 H ASP A 49 0.361 13.527 3.126 1.00 42.42 H new ATOM 0 HA ASP A 49 -0.957 11.267 4.511 1.00 0.03 H new ATOM 0 HB2 ASP A 49 -2.453 13.648 4.823 1.00 10.04 H new ATOM 0 HB3 ASP A 49 -1.528 12.802 6.048 1.00 10.04 H new ATOM 801 N ILE A 50 -2.698 11.002 2.787 1.00 62.35 N ATOM 802 CA ILE A 50 -3.711 10.795 1.760 1.00 21.35 C ATOM 803 C ILE A 50 -5.037 10.365 2.378 1.00 14.43 C ATOM 804 O ILE A 50 -5.073 9.792 3.467 1.00 71.15 O ATOM 805 CB ILE A 50 -3.267 9.735 0.736 1.00 51.20 C ATOM 806 CG1 ILE A 50 -2.370 8.692 1.405 1.00 4.44 C ATOM 807 CG2 ILE A 50 -2.543 10.397 -0.429 1.00 73.32 C ATOM 808 CD1 ILE A 50 -3.068 7.901 2.488 1.00 55.32 C ATOM 0 H ILE A 50 -2.526 10.190 3.380 1.00 62.35 H new ATOM 0 HA ILE A 50 -3.842 11.748 1.248 1.00 21.35 H new ATOM 0 HB ILE A 50 -4.152 9.230 0.350 1.00 51.20 H new ATOM 0 HG12 ILE A 50 -1.998 8.004 0.646 1.00 4.44 H new ATOM 0 HG13 ILE A 50 -1.502 9.193 1.834 1.00 4.44 H new ATOM 0 HG21 ILE A 50 -2.235 9.636 -1.146 1.00 73.32 H new ATOM 0 HG22 ILE A 50 -3.212 11.106 -0.918 1.00 73.32 H new ATOM 0 HG23 ILE A 50 -1.664 10.924 -0.059 1.00 73.32 H new ATOM 0 HD11 ILE A 50 -2.372 7.181 2.918 1.00 55.32 H new ATOM 0 HD12 ILE A 50 -3.416 8.579 3.267 1.00 55.32 H new ATOM 0 HD13 ILE A 50 -3.920 7.372 2.061 1.00 55.32 H new ATOM 820 N LYS A 51 -6.129 10.643 1.673 1.00 52.05 N ATOM 821 CA LYS A 51 -7.460 10.282 2.146 1.00 21.45 C ATOM 822 C LYS A 51 -8.041 9.141 1.319 1.00 34.20 C ATOM 823 O LYS A 51 -7.513 8.793 0.264 1.00 41.52 O ATOM 824 CB LYS A 51 -8.391 11.495 2.087 1.00 60.43 C ATOM 825 CG LYS A 51 -9.048 11.822 3.418 1.00 55.41 C ATOM 826 CD LYS A 51 -10.558 11.660 3.347 1.00 24.15 C ATOM 827 CE LYS A 51 -11.260 12.514 4.394 1.00 50.44 C ATOM 828 NZ LYS A 51 -12.673 12.091 4.598 1.00 43.34 N ATOM 0 H LYS A 51 -6.118 11.118 0.770 1.00 52.05 H new ATOM 0 HA LYS A 51 -7.372 9.949 3.180 1.00 21.45 H new ATOM 0 HB2 LYS A 51 -7.824 12.362 1.748 1.00 60.43 H new ATOM 0 HB3 LYS A 51 -9.167 11.312 1.344 1.00 60.43 H new ATOM 0 HG2 LYS A 51 -8.647 11.169 4.193 1.00 55.41 H new ATOM 0 HG3 LYS A 51 -8.804 12.845 3.704 1.00 55.41 H new ATOM 0 HD2 LYS A 51 -10.909 11.939 2.353 1.00 24.15 H new ATOM 0 HD3 LYS A 51 -10.820 10.612 3.495 1.00 24.15 H new ATOM 0 HE2 LYS A 51 -10.721 12.446 5.339 1.00 50.44 H new ATOM 0 HE3 LYS A 51 -11.235 13.559 4.086 1.00 50.44 H new ATOM 0 HZ1 LYS A 51 -13.116 12.697 5.318 1.00 43.34 H new ATOM 0 HZ2 LYS A 51 -13.195 12.179 3.703 1.00 43.34 H new ATOM 0 HZ3 LYS A 51 -12.697 11.101 4.916 1.00 43.34 H new ATOM 842 N LYS A 52 -9.135 8.562 1.805 1.00 33.23 N ATOM 843 CA LYS A 52 -9.792 7.460 1.110 1.00 12.45 C ATOM 844 C LYS A 52 -10.089 7.833 -0.339 1.00 51.52 C ATOM 845 O LYS A 52 -10.485 8.961 -0.631 1.00 52.24 O ATOM 846 CB LYS A 52 -11.089 7.080 1.826 1.00 71.13 C ATOM 847 CG LYS A 52 -11.076 5.673 2.400 1.00 54.51 C ATOM 848 CD LYS A 52 -12.364 5.362 3.142 1.00 61.43 C ATOM 849 CE LYS A 52 -13.563 5.372 2.207 1.00 15.41 C ATOM 850 NZ LYS A 52 -14.617 6.318 2.668 1.00 20.13 N ATOM 0 H LYS A 52 -9.585 8.838 2.678 1.00 33.23 H new ATOM 0 HA LYS A 52 -9.117 6.604 1.116 1.00 12.45 H new ATOM 0 HB2 LYS A 52 -11.271 7.791 2.632 1.00 71.13 H new ATOM 0 HB3 LYS A 52 -11.920 7.171 1.127 1.00 71.13 H new ATOM 0 HG2 LYS A 52 -10.936 4.952 1.595 1.00 54.51 H new ATOM 0 HG3 LYS A 52 -10.229 5.563 3.077 1.00 54.51 H new ATOM 0 HD2 LYS A 52 -12.283 4.386 3.620 1.00 61.43 H new ATOM 0 HD3 LYS A 52 -12.514 6.094 3.935 1.00 61.43 H new ATOM 0 HE2 LYS A 52 -13.239 5.650 1.204 1.00 15.41 H new ATOM 0 HE3 LYS A 52 -13.980 4.367 2.141 1.00 15.41 H new ATOM 0 HZ1 LYS A 52 -15.418 6.296 2.004 1.00 20.13 H new ATOM 0 HZ2 LYS A 52 -14.944 6.039 3.615 1.00 20.13 H new ATOM 0 HZ3 LYS A 52 -14.226 7.281 2.707 1.00 20.13 H new ATOM 864 N ASN A 53 -9.898 6.877 -1.243 1.00 0.23 N ATOM 865 CA ASN A 53 -10.147 7.105 -2.661 1.00 12.03 C ATOM 866 C ASN A 53 -9.437 8.366 -3.143 1.00 4.42 C ATOM 867 O ASN A 53 -10.068 9.287 -3.660 1.00 13.14 O ATOM 868 CB ASN A 53 -11.651 7.222 -2.925 1.00 23.33 C ATOM 869 CG ASN A 53 -11.968 7.388 -4.397 1.00 54.03 C ATOM 870 OD1 ASN A 53 -11.393 6.711 -5.249 1.00 24.34 O ATOM 871 ND2 ASN A 53 -12.890 8.293 -4.704 1.00 4.44 N ATOM 0 H ASN A 53 -9.572 5.937 -1.018 1.00 0.23 H new ATOM 0 HA ASN A 53 -9.752 6.253 -3.214 1.00 12.03 H new ATOM 0 HB2 ASN A 53 -12.154 6.332 -2.546 1.00 23.33 H new ATOM 0 HB3 ASN A 53 -12.049 8.073 -2.372 1.00 23.33 H new ATOM 0 HD21 ASN A 53 -13.147 8.449 -5.679 1.00 4.44 H new ATOM 0 HD22 ASN A 53 -13.341 8.832 -3.965 1.00 4.44 H new ATOM 878 N GLU A 54 -8.118 8.399 -2.970 1.00 15.14 N ATOM 879 CA GLU A 54 -7.324 9.548 -3.387 1.00 21.22 C ATOM 880 C GLU A 54 -6.319 9.151 -4.465 1.00 21.24 C ATOM 881 O GLU A 54 -5.506 8.247 -4.270 1.00 11.43 O ATOM 882 CB GLU A 54 -6.588 10.150 -2.187 1.00 31.32 C ATOM 883 CG GLU A 54 -5.783 11.392 -2.528 1.00 33.24 C ATOM 884 CD GLU A 54 -6.591 12.667 -2.383 1.00 13.53 C ATOM 885 OE1 GLU A 54 -7.825 12.614 -2.571 1.00 65.21 O ATOM 886 OE2 GLU A 54 -5.988 13.720 -2.083 1.00 35.54 O ATOM 0 H GLU A 54 -7.579 7.645 -2.545 1.00 15.14 H new ATOM 0 HA GLU A 54 -8.001 10.295 -3.801 1.00 21.22 H new ATOM 0 HB2 GLU A 54 -7.314 10.399 -1.413 1.00 31.32 H new ATOM 0 HB3 GLU A 54 -5.920 9.398 -1.767 1.00 31.32 H new ATOM 0 HG2 GLU A 54 -4.909 11.444 -1.879 1.00 33.24 H new ATOM 0 HG3 GLU A 54 -5.416 11.313 -3.551 1.00 33.24 H new ATOM 893 N ARG A 55 -6.383 9.833 -5.605 1.00 31.51 N ATOM 894 CA ARG A 55 -5.482 9.551 -6.715 1.00 1.02 C ATOM 895 C ARG A 55 -4.305 10.523 -6.721 1.00 32.23 C ATOM 896 O ARG A 55 -4.446 11.687 -6.343 1.00 10.55 O ATOM 897 CB ARG A 55 -6.234 9.636 -8.045 1.00 65.12 C ATOM 898 CG ARG A 55 -7.134 10.857 -8.159 1.00 71.52 C ATOM 899 CD ARG A 55 -7.569 11.095 -9.596 1.00 4.01 C ATOM 900 NE ARG A 55 -7.012 12.332 -10.138 1.00 42.13 N ATOM 901 CZ ARG A 55 -7.388 13.543 -9.744 1.00 2.52 C ATOM 902 NH1 ARG A 55 -8.317 13.681 -8.809 1.00 32.22 N ATOM 903 NH2 ARG A 55 -6.834 14.620 -10.286 1.00 63.42 N ATOM 0 H ARG A 55 -7.050 10.584 -5.783 1.00 31.51 H new ATOM 0 HA ARG A 55 -5.095 8.540 -6.588 1.00 1.02 H new ATOM 0 HB2 ARG A 55 -5.511 9.650 -8.861 1.00 65.12 H new ATOM 0 HB3 ARG A 55 -6.838 8.737 -8.169 1.00 65.12 H new ATOM 0 HG2 ARG A 55 -8.013 10.723 -7.529 1.00 71.52 H new ATOM 0 HG3 ARG A 55 -6.607 11.735 -7.787 1.00 71.52 H new ATOM 0 HD2 ARG A 55 -7.254 10.254 -10.214 1.00 4.01 H new ATOM 0 HD3 ARG A 55 -8.657 11.136 -9.643 1.00 4.01 H new ATOM 0 HE ARG A 55 -6.294 12.261 -10.859 1.00 42.13 H new ATOM 0 HH11 ARG A 55 -8.745 12.856 -8.390 1.00 32.22 H new ATOM 0 HH12 ARG A 55 -8.604 14.613 -8.508 1.00 32.22 H new ATOM 0 HH21 ARG A 55 -6.119 14.518 -11.006 1.00 63.42 H new ATOM 0 HH22 ARG A 55 -7.123 15.550 -9.983 1.00 63.42 H new ATOM 917 N LEU A 56 -3.146 10.038 -7.151 1.00 50.22 N ATOM 918 CA LEU A 56 -1.944 10.864 -7.205 1.00 72.53 C ATOM 919 C LEU A 56 -1.050 10.445 -8.367 1.00 25.11 C ATOM 920 O LEU A 56 -1.341 9.481 -9.073 1.00 74.33 O ATOM 921 CB LEU A 56 -1.172 10.762 -5.889 1.00 65.13 C ATOM 922 CG LEU A 56 -1.524 11.798 -4.822 1.00 3.34 C ATOM 923 CD1 LEU A 56 -2.740 11.352 -4.023 1.00 52.54 C ATOM 924 CD2 LEU A 56 -0.337 12.039 -3.901 1.00 13.12 C ATOM 0 H LEU A 56 -3.012 9.078 -7.467 1.00 50.22 H new ATOM 0 HA LEU A 56 -2.249 11.899 -7.360 1.00 72.53 H new ATOM 0 HB2 LEU A 56 -1.336 9.769 -5.471 1.00 65.13 H new ATOM 0 HB3 LEU A 56 -0.107 10.843 -6.108 1.00 65.13 H new ATOM 0 HG LEU A 56 -1.768 12.736 -5.321 1.00 3.34 H new ATOM 0 HD11 LEU A 56 -2.975 12.103 -3.268 1.00 52.54 H new ATOM 0 HD12 LEU A 56 -3.591 11.232 -4.693 1.00 52.54 H new ATOM 0 HD13 LEU A 56 -2.526 10.401 -3.535 1.00 52.54 H new ATOM 0 HD21 LEU A 56 -0.606 12.779 -3.147 1.00 13.12 H new ATOM 0 HD22 LEU A 56 -0.062 11.105 -3.410 1.00 13.12 H new ATOM 0 HD23 LEU A 56 0.508 12.405 -4.484 1.00 13.12 H new ATOM 936 N TRP A 57 0.043 11.177 -8.559 1.00 73.32 N ATOM 937 CA TRP A 57 0.983 10.879 -9.633 1.00 11.40 C ATOM 938 C TRP A 57 2.130 10.013 -9.129 1.00 12.52 C ATOM 939 O TRP A 57 2.995 10.480 -8.385 1.00 55.01 O ATOM 940 CB TRP A 57 1.531 12.178 -10.231 1.00 75.14 C ATOM 941 CG TRP A 57 0.560 12.869 -11.139 1.00 2.21 C ATOM 942 CD1 TRP A 57 0.653 12.992 -12.497 1.00 31.11 C ATOM 943 CD2 TRP A 57 -0.647 13.536 -10.755 1.00 62.14 C ATOM 944 NE1 TRP A 57 -0.425 13.695 -12.979 1.00 40.23 N ATOM 945 CE2 TRP A 57 -1.238 14.039 -11.931 1.00 65.25 C ATOM 946 CE3 TRP A 57 -1.288 13.755 -9.533 1.00 0.41 C ATOM 947 CZ2 TRP A 57 -2.436 14.748 -11.917 1.00 43.33 C ATOM 948 CZ3 TRP A 57 -2.476 14.458 -9.521 1.00 11.34 C ATOM 949 CH2 TRP A 57 -3.041 14.947 -10.706 1.00 12.44 C ATOM 0 H TRP A 57 0.299 11.980 -7.985 1.00 73.32 H new ATOM 0 HA TRP A 57 0.450 10.326 -10.407 1.00 11.40 H new ATOM 0 HB2 TRP A 57 1.806 12.855 -9.422 1.00 75.14 H new ATOM 0 HB3 TRP A 57 2.443 11.958 -10.786 1.00 75.14 H new ATOM 0 HD1 TRP A 57 1.455 12.595 -13.102 1.00 31.11 H new ATOM 0 HE1 TRP A 57 -0.593 13.924 -13.959 1.00 40.23 H new ATOM 0 HE3 TRP A 57 -0.862 13.381 -8.614 1.00 0.41 H new ATOM 0 HZ2 TRP A 57 -2.872 15.127 -12.829 1.00 43.33 H new ATOM 0 HZ3 TRP A 57 -2.979 14.634 -8.581 1.00 11.34 H new ATOM 0 HH2 TRP A 57 -3.973 15.492 -10.663 1.00 12.44 H new ATOM 960 N LEU A 58 2.135 8.749 -9.539 1.00 73.42 N ATOM 961 CA LEU A 58 3.178 7.815 -9.128 1.00 11.30 C ATOM 962 C LEU A 58 4.529 8.220 -9.706 1.00 42.31 C ATOM 963 O LEU A 58 4.672 8.397 -10.917 1.00 34.24 O ATOM 964 CB LEU A 58 2.824 6.396 -9.574 1.00 71.13 C ATOM 965 CG LEU A 58 2.436 5.419 -8.464 1.00 74.44 C ATOM 966 CD1 LEU A 58 2.041 4.073 -9.051 1.00 62.45 C ATOM 967 CD2 LEU A 58 3.579 5.257 -7.472 1.00 51.13 C ATOM 0 H LEU A 58 1.429 8.347 -10.156 1.00 73.42 H new ATOM 0 HA LEU A 58 3.246 7.840 -8.040 1.00 11.30 H new ATOM 0 HB2 LEU A 58 1.998 6.455 -10.283 1.00 71.13 H new ATOM 0 HB3 LEU A 58 3.677 5.983 -10.112 1.00 71.13 H new ATOM 0 HG LEU A 58 1.576 5.826 -7.932 1.00 74.44 H new ATOM 0 HD11 LEU A 58 1.768 3.391 -8.246 1.00 62.45 H new ATOM 0 HD12 LEU A 58 1.190 4.203 -9.720 1.00 62.45 H new ATOM 0 HD13 LEU A 58 2.881 3.659 -9.609 1.00 62.45 H new ATOM 0 HD21 LEU A 58 3.285 4.558 -6.689 1.00 51.13 H new ATOM 0 HD22 LEU A 58 4.458 4.873 -7.989 1.00 51.13 H new ATOM 0 HD23 LEU A 58 3.814 6.224 -7.026 1.00 51.13 H new ATOM 979 N LEU A 59 5.521 8.365 -8.835 1.00 21.43 N ATOM 980 CA LEU A 59 6.863 8.748 -9.259 1.00 24.13 C ATOM 981 C LEU A 59 7.788 7.534 -9.302 1.00 54.50 C ATOM 982 O LEU A 59 8.202 7.096 -10.375 1.00 51.22 O ATOM 983 CB LEU A 59 7.436 9.806 -8.314 1.00 73.12 C ATOM 984 CG LEU A 59 6.544 11.018 -8.043 1.00 40.14 C ATOM 985 CD1 LEU A 59 7.298 12.066 -7.239 1.00 33.00 C ATOM 986 CD2 LEU A 59 6.037 11.609 -9.351 1.00 70.10 C ATOM 0 H LEU A 59 5.421 8.223 -7.830 1.00 21.43 H new ATOM 0 HA LEU A 59 6.794 9.166 -10.263 1.00 24.13 H new ATOM 0 HB2 LEU A 59 7.664 9.328 -7.361 1.00 73.12 H new ATOM 0 HB3 LEU A 59 8.380 10.160 -8.727 1.00 73.12 H new ATOM 0 HG LEU A 59 5.685 10.690 -7.458 1.00 40.14 H new ATOM 0 HD11 LEU A 59 6.648 12.921 -7.056 1.00 33.00 H new ATOM 0 HD12 LEU A 59 7.612 11.638 -6.287 1.00 33.00 H new ATOM 0 HD13 LEU A 59 8.176 12.391 -7.798 1.00 33.00 H new ATOM 0 HD21 LEU A 59 5.404 12.471 -9.140 1.00 70.10 H new ATOM 0 HD22 LEU A 59 6.884 11.922 -9.961 1.00 70.10 H new ATOM 0 HD23 LEU A 59 5.460 10.858 -9.890 1.00 70.10 H new ATOM 998 N ASP A 60 8.103 6.996 -8.130 1.00 60.40 N ATOM 999 CA ASP A 60 8.975 5.831 -8.033 1.00 12.12 C ATOM 1000 C ASP A 60 8.399 4.798 -7.071 1.00 35.32 C ATOM 1001 O ASP A 60 8.371 5.012 -5.859 1.00 31.12 O ATOM 1002 CB ASP A 60 10.373 6.249 -7.575 1.00 21.31 C ATOM 1003 CG ASP A 60 11.240 5.063 -7.202 1.00 13.14 C ATOM 1004 OD1 ASP A 60 11.039 4.502 -6.104 1.00 74.11 O ATOM 1005 OD2 ASP A 60 12.118 4.694 -8.009 1.00 42.32 O ATOM 0 H ASP A 60 7.768 7.348 -7.233 1.00 60.40 H new ATOM 0 HA ASP A 60 9.046 5.379 -9.022 1.00 12.12 H new ATOM 0 HB2 ASP A 60 10.859 6.814 -8.371 1.00 21.31 H new ATOM 0 HB3 ASP A 60 10.287 6.916 -6.717 1.00 21.31 H new ATOM 1011 N ASP A 61 7.937 3.679 -7.619 1.00 32.11 N ATOM 1012 CA ASP A 61 7.361 2.613 -6.808 1.00 72.25 C ATOM 1013 C ASP A 61 8.139 1.314 -6.986 1.00 72.52 C ATOM 1014 O ASP A 61 7.701 0.407 -7.695 1.00 4.24 O ATOM 1015 CB ASP A 61 5.893 2.397 -7.180 1.00 51.22 C ATOM 1016 CG ASP A 61 5.618 2.685 -8.643 1.00 11.21 C ATOM 1017 OD1 ASP A 61 5.595 3.876 -9.020 1.00 24.53 O ATOM 1018 OD2 ASP A 61 5.426 1.720 -9.412 1.00 62.14 O ATOM 0 H ASP A 61 7.950 3.487 -8.621 1.00 32.11 H new ATOM 0 HA ASP A 61 7.423 2.912 -5.762 1.00 72.25 H new ATOM 0 HB2 ASP A 61 5.612 1.368 -6.956 1.00 51.22 H new ATOM 0 HB3 ASP A 61 5.266 3.040 -6.562 1.00 51.22 H new ATOM 1024 N SER A 62 9.296 1.229 -6.338 1.00 24.44 N ATOM 1025 CA SER A 62 10.139 0.043 -6.428 1.00 64.25 C ATOM 1026 C SER A 62 10.164 -0.709 -5.101 1.00 51.11 C ATOM 1027 O SER A 62 9.952 -1.920 -5.056 1.00 45.13 O ATOM 1028 CB SER A 62 11.563 0.432 -6.832 1.00 51.54 C ATOM 1029 OG SER A 62 11.804 0.134 -8.198 1.00 3.13 O ATOM 0 H SER A 62 9.671 1.968 -5.744 1.00 24.44 H new ATOM 0 HA SER A 62 9.718 -0.613 -7.190 1.00 64.25 H new ATOM 0 HB2 SER A 62 11.717 1.497 -6.656 1.00 51.54 H new ATOM 0 HB3 SER A 62 12.280 -0.101 -6.208 1.00 51.54 H new ATOM 0 HG SER A 62 12.720 0.393 -8.433 1.00 3.13 H new ATOM 1035 N LYS A 63 10.422 0.020 -4.021 1.00 22.14 N ATOM 1036 CA LYS A 63 10.474 -0.576 -2.690 1.00 2.45 C ATOM 1037 C LYS A 63 9.082 -0.646 -2.072 1.00 54.11 C ATOM 1038 O LYS A 63 8.101 -0.197 -2.668 1.00 2.23 O ATOM 1039 CB LYS A 63 11.405 0.233 -1.784 1.00 32.35 C ATOM 1040 CG LYS A 63 12.799 -0.358 -1.661 1.00 14.45 C ATOM 1041 CD LYS A 63 13.631 0.385 -0.630 1.00 73.14 C ATOM 1042 CE LYS A 63 14.786 -0.468 -0.127 1.00 62.43 C ATOM 1043 NZ LYS A 63 16.099 0.029 -0.624 1.00 32.41 N ATOM 0 H LYS A 63 10.598 1.024 -4.040 1.00 22.14 H new ATOM 0 HA LYS A 63 10.861 -1.590 -2.787 1.00 2.45 H new ATOM 0 HB2 LYS A 63 11.483 1.249 -2.172 1.00 32.35 H new ATOM 0 HB3 LYS A 63 10.961 0.304 -0.791 1.00 32.35 H new ATOM 0 HG2 LYS A 63 12.726 -1.409 -1.382 1.00 14.45 H new ATOM 0 HG3 LYS A 63 13.298 -0.319 -2.629 1.00 14.45 H new ATOM 0 HD2 LYS A 63 14.020 1.304 -1.068 1.00 73.14 H new ATOM 0 HD3 LYS A 63 12.999 0.675 0.209 1.00 73.14 H new ATOM 0 HE2 LYS A 63 14.788 -0.471 0.963 1.00 62.43 H new ATOM 0 HE3 LYS A 63 14.643 -1.500 -0.448 1.00 62.43 H new ATOM 0 HZ1 LYS A 63 16.861 -0.578 -0.260 1.00 32.41 H new ATOM 0 HZ2 LYS A 63 16.107 0.008 -1.664 1.00 32.41 H new ATOM 0 HZ3 LYS A 63 16.248 1.005 -0.296 1.00 32.41 H new ATOM 1057 N THR A 64 9.000 -1.212 -0.873 1.00 33.33 N ATOM 1058 CA THR A 64 7.727 -1.342 -0.173 1.00 71.03 C ATOM 1059 C THR A 64 6.954 -0.028 -0.190 1.00 64.33 C ATOM 1060 O THR A 64 5.733 -0.018 -0.345 1.00 52.32 O ATOM 1061 CB THR A 64 7.931 -1.788 1.287 1.00 11.44 C ATOM 1062 OG1 THR A 64 6.757 -1.500 2.055 1.00 44.32 O ATOM 1063 CG2 THR A 64 9.131 -1.084 1.904 1.00 41.00 C ATOM 0 H THR A 64 9.800 -1.588 -0.365 1.00 33.33 H new ATOM 0 HA THR A 64 7.153 -2.104 -0.700 1.00 71.03 H new ATOM 0 HB THR A 64 8.116 -2.862 1.294 1.00 11.44 H new ATOM 0 HG1 THR A 64 5.968 -1.845 1.588 1.00 44.32 H new ATOM 0 HG21 THR A 64 9.256 -1.414 2.935 1.00 41.00 H new ATOM 0 HG22 THR A 64 10.028 -1.327 1.334 1.00 41.00 H new ATOM 0 HG23 THR A 64 8.970 -0.006 1.885 1.00 41.00 H new ATOM 1071 N TRP A 65 7.672 1.077 -0.027 1.00 53.54 N ATOM 1072 CA TRP A 65 7.054 2.397 -0.025 1.00 54.13 C ATOM 1073 C TRP A 65 7.137 3.042 -1.405 1.00 72.55 C ATOM 1074 O TRP A 65 8.161 2.949 -2.082 1.00 20.32 O ATOM 1075 CB TRP A 65 7.727 3.297 1.013 1.00 61.51 C ATOM 1076 CG TRP A 65 7.220 3.077 2.407 1.00 24.43 C ATOM 1077 CD1 TRP A 65 7.375 1.954 3.167 1.00 73.03 C ATOM 1078 CD2 TRP A 65 6.476 4.004 3.205 1.00 3.50 C ATOM 1079 NE1 TRP A 65 6.772 2.127 4.389 1.00 30.22 N ATOM 1080 CE2 TRP A 65 6.214 3.376 4.437 1.00 40.10 C ATOM 1081 CE3 TRP A 65 6.008 5.305 2.998 1.00 53.45 C ATOM 1082 CZ2 TRP A 65 5.504 4.005 5.457 1.00 21.32 C ATOM 1083 CZ3 TRP A 65 5.303 5.928 4.010 1.00 74.34 C ATOM 1084 CH2 TRP A 65 5.057 5.279 5.227 1.00 14.21 C ATOM 0 H TRP A 65 8.683 1.085 0.106 1.00 53.54 H new ATOM 0 HA TRP A 65 6.002 2.276 0.235 1.00 54.13 H new ATOM 0 HB2 TRP A 65 8.803 3.121 0.993 1.00 61.51 H new ATOM 0 HB3 TRP A 65 7.569 4.340 0.737 1.00 61.51 H new ATOM 0 HD1 TRP A 65 7.895 1.061 2.854 1.00 73.03 H new ATOM 0 HE1 TRP A 65 6.744 1.436 5.139 1.00 30.22 H new ATOM 0 HE3 TRP A 65 6.194 5.814 2.064 1.00 53.45 H new ATOM 0 HZ2 TRP A 65 5.313 3.506 6.396 1.00 21.32 H new ATOM 0 HZ3 TRP A 65 4.935 6.932 3.860 1.00 74.34 H new ATOM 0 HH2 TRP A 65 4.504 5.793 5.999 1.00 14.21 H new ATOM 1095 N TRP A 66 6.056 3.694 -1.814 1.00 71.33 N ATOM 1096 CA TRP A 66 6.009 4.354 -3.114 1.00 54.24 C ATOM 1097 C TRP A 66 5.942 5.868 -2.953 1.00 71.11 C ATOM 1098 O TRP A 66 5.422 6.373 -1.957 1.00 44.41 O ATOM 1099 CB TRP A 66 4.804 3.859 -3.917 1.00 13.21 C ATOM 1100 CG TRP A 66 4.810 2.378 -4.144 1.00 11.51 C ATOM 1101 CD1 TRP A 66 5.851 1.520 -3.935 1.00 3.11 C ATOM 1102 CD2 TRP A 66 3.724 1.581 -4.629 1.00 71.22 C ATOM 1103 NE1 TRP A 66 5.479 0.239 -4.258 1.00 50.31 N ATOM 1104 CE2 TRP A 66 4.177 0.249 -4.686 1.00 61.41 C ATOM 1105 CE3 TRP A 66 2.411 1.864 -5.017 1.00 13.32 C ATOM 1106 CZ2 TRP A 66 3.363 -0.796 -5.118 1.00 2.31 C ATOM 1107 CZ3 TRP A 66 1.606 0.825 -5.446 1.00 62.31 C ATOM 1108 CH2 TRP A 66 2.084 -0.492 -5.492 1.00 11.31 C ATOM 0 H TRP A 66 5.200 3.780 -1.265 1.00 71.33 H new ATOM 0 HA TRP A 66 6.923 4.105 -3.654 1.00 54.24 H new ATOM 0 HB2 TRP A 66 3.889 4.135 -3.393 1.00 13.21 H new ATOM 0 HB3 TRP A 66 4.785 4.367 -4.881 1.00 13.21 H new ATOM 0 HD1 TRP A 66 6.826 1.807 -3.569 1.00 3.11 H new ATOM 0 HE1 TRP A 66 6.075 -0.586 -4.191 1.00 50.31 H new ATOM 0 HE3 TRP A 66 2.033 2.875 -4.982 1.00 13.32 H new ATOM 0 HZ2 TRP A 66 3.730 -1.811 -5.156 1.00 2.31 H new ATOM 0 HZ3 TRP A 66 0.591 1.032 -5.751 1.00 62.31 H new ATOM 0 HH2 TRP A 66 1.429 -1.282 -5.829 1.00 11.31 H new ATOM 1119 N ARG A 67 6.467 6.587 -3.939 1.00 44.42 N ATOM 1120 CA ARG A 67 6.469 8.045 -3.906 1.00 13.04 C ATOM 1121 C ARG A 67 5.541 8.613 -4.977 1.00 12.03 C ATOM 1122 O ARG A 67 5.778 8.441 -6.172 1.00 54.11 O ATOM 1123 CB ARG A 67 7.886 8.581 -4.106 1.00 43.31 C ATOM 1124 CG ARG A 67 7.932 10.042 -4.525 1.00 22.04 C ATOM 1125 CD ARG A 67 9.334 10.617 -4.391 1.00 31.22 C ATOM 1126 NE ARG A 67 10.337 9.766 -5.024 1.00 55.24 N ATOM 1127 CZ ARG A 67 11.646 9.948 -4.890 1.00 74.44 C ATOM 1128 NH1 ARG A 67 12.108 10.945 -4.148 1.00 54.11 N ATOM 1129 NH2 ARG A 67 12.497 9.130 -5.498 1.00 51.32 N ATOM 0 H ARG A 67 6.897 6.184 -4.771 1.00 44.42 H new ATOM 0 HA ARG A 67 6.105 8.362 -2.928 1.00 13.04 H new ATOM 0 HB2 ARG A 67 8.445 8.460 -3.178 1.00 43.31 H new ATOM 0 HB3 ARG A 67 8.390 7.979 -4.862 1.00 43.31 H new ATOM 0 HG2 ARG A 67 7.596 10.136 -5.558 1.00 22.04 H new ATOM 0 HG3 ARG A 67 7.241 10.619 -3.911 1.00 22.04 H new ATOM 0 HD2 ARG A 67 9.364 11.609 -4.842 1.00 31.22 H new ATOM 0 HD3 ARG A 67 9.576 10.739 -3.335 1.00 31.22 H new ATOM 0 HE ARG A 67 10.015 8.989 -5.601 1.00 55.24 H new ATOM 0 HH11 ARG A 67 11.458 11.575 -3.678 1.00 54.11 H new ATOM 0 HH12 ARG A 67 13.114 11.082 -4.047 1.00 54.11 H new ATOM 0 HH21 ARG A 67 12.146 8.361 -6.069 1.00 51.32 H new ATOM 0 HH22 ARG A 67 13.502 9.271 -5.394 1.00 51.32 H new ATOM 1143 N VAL A 68 4.486 9.292 -4.539 1.00 3.42 N ATOM 1144 CA VAL A 68 3.524 9.886 -5.459 1.00 14.22 C ATOM 1145 C VAL A 68 3.385 11.385 -5.218 1.00 31.04 C ATOM 1146 O VAL A 68 3.832 11.902 -4.194 1.00 11.25 O ATOM 1147 CB VAL A 68 2.138 9.227 -5.328 1.00 62.14 C ATOM 1148 CG1 VAL A 68 2.218 7.746 -5.667 1.00 41.14 C ATOM 1149 CG2 VAL A 68 1.583 9.431 -3.927 1.00 13.11 C ATOM 0 H VAL A 68 4.276 9.444 -3.553 1.00 3.42 H new ATOM 0 HA VAL A 68 3.905 9.716 -6.466 1.00 14.22 H new ATOM 0 HB VAL A 68 1.460 9.702 -6.036 1.00 62.14 H new ATOM 0 HG11 VAL A 68 1.230 7.296 -5.569 1.00 41.14 H new ATOM 0 HG12 VAL A 68 2.572 7.626 -6.691 1.00 41.14 H new ATOM 0 HG13 VAL A 68 2.910 7.253 -4.984 1.00 41.14 H new ATOM 0 HG21 VAL A 68 0.603 8.959 -3.852 1.00 13.11 H new ATOM 0 HG22 VAL A 68 2.259 8.982 -3.199 1.00 13.11 H new ATOM 0 HG23 VAL A 68 1.488 10.498 -3.725 1.00 13.11 H new ATOM 1159 N ARG A 69 2.763 12.077 -6.166 1.00 51.02 N ATOM 1160 CA ARG A 69 2.565 13.518 -6.057 1.00 1.23 C ATOM 1161 C ARG A 69 1.079 13.866 -6.067 1.00 53.44 C ATOM 1162 O ARG A 69 0.268 13.145 -6.646 1.00 34.32 O ATOM 1163 CB ARG A 69 3.278 14.240 -7.200 1.00 1.33 C ATOM 1164 CG ARG A 69 3.452 15.732 -6.964 1.00 51.51 C ATOM 1165 CD ARG A 69 4.070 16.419 -8.172 1.00 43.13 C ATOM 1166 NE ARG A 69 3.343 17.629 -8.546 1.00 24.13 N ATOM 1167 CZ ARG A 69 2.134 17.619 -9.096 1.00 72.00 C ATOM 1168 NH1 ARG A 69 1.519 16.469 -9.333 1.00 11.50 N ATOM 1169 NH2 ARG A 69 1.536 18.763 -9.407 1.00 41.22 N ATOM 0 H ARG A 69 2.387 11.663 -7.019 1.00 51.02 H new ATOM 0 HA ARG A 69 2.990 13.847 -5.109 1.00 1.23 H new ATOM 0 HB2 ARG A 69 4.258 13.788 -7.349 1.00 1.33 H new ATOM 0 HB3 ARG A 69 2.715 14.090 -8.121 1.00 1.33 H new ATOM 0 HG2 ARG A 69 2.484 16.182 -6.744 1.00 51.51 H new ATOM 0 HG3 ARG A 69 4.084 15.892 -6.090 1.00 51.51 H new ATOM 0 HD2 ARG A 69 5.107 16.673 -7.953 1.00 43.13 H new ATOM 0 HD3 ARG A 69 4.082 15.728 -9.015 1.00 43.13 H new ATOM 0 HE ARG A 69 3.788 18.531 -8.376 1.00 24.13 H new ATOM 0 HH11 ARG A 69 1.974 15.588 -9.093 1.00 11.50 H new ATOM 0 HH12 ARG A 69 0.591 16.465 -9.755 1.00 11.50 H new ATOM 0 HH21 ARG A 69 2.005 19.650 -9.224 1.00 41.22 H new ATOM 0 HH22 ARG A 69 0.608 18.755 -9.829 1.00 41.22 H new ATOM 1183 N ASN A 70 0.732 14.974 -5.424 1.00 35.05 N ATOM 1184 CA ASN A 70 -0.657 15.418 -5.358 1.00 41.42 C ATOM 1185 C ASN A 70 -0.851 16.714 -6.140 1.00 34.42 C ATOM 1186 O ASN A 70 0.089 17.238 -6.737 1.00 34.44 O ATOM 1187 CB ASN A 70 -1.082 15.619 -3.902 1.00 74.23 C ATOM 1188 CG ASN A 70 0.078 16.018 -3.012 1.00 24.24 C ATOM 1189 OD1 ASN A 70 0.810 17.049 -3.419 1.00 73.21 O flip ATOM 1190 ND2 ASN A 70 0.313 15.407 -1.968 1.00 31.33 N flip ATOM 0 H ASN A 70 1.392 15.582 -4.940 1.00 35.05 H new ATOM 0 HA ASN A 70 -1.281 14.646 -5.808 1.00 41.42 H new ATOM 0 HB2 ASN A 70 -1.854 16.387 -3.854 1.00 74.23 H new ATOM 0 HB3 ASN A 70 -1.525 14.697 -3.525 1.00 74.23 H new ATOM 0 HD21 ASN A 70 -0.276 14.620 -1.694 1.00 31.33 H new ATOM 0 HD22 ASN A 70 1.096 15.688 -1.378 1.00 31.33 H new ATOM 1197 N ALA A 71 -2.078 17.224 -6.132 1.00 4.43 N ATOM 1198 CA ALA A 71 -2.396 18.459 -6.838 1.00 62.05 C ATOM 1199 C ALA A 71 -1.752 19.662 -6.157 1.00 12.34 C ATOM 1200 O ALA A 71 -1.778 20.774 -6.684 1.00 11.23 O ATOM 1201 CB ALA A 71 -3.903 18.645 -6.925 1.00 72.23 C ATOM 0 H ALA A 71 -2.868 16.801 -5.645 1.00 4.43 H new ATOM 0 HA ALA A 71 -1.991 18.385 -7.847 1.00 62.05 H new ATOM 0 HB1 ALA A 71 -4.125 19.571 -7.455 1.00 72.23 H new ATOM 0 HB2 ALA A 71 -4.343 17.805 -7.463 1.00 72.23 H new ATOM 0 HB3 ALA A 71 -4.322 18.692 -5.920 1.00 72.23 H new ATOM 1207 N ALA A 72 -1.177 19.433 -4.981 1.00 70.54 N ATOM 1208 CA ALA A 72 -0.526 20.497 -4.229 1.00 22.04 C ATOM 1209 C ALA A 72 0.883 20.758 -4.753 1.00 23.42 C ATOM 1210 O ALA A 72 1.619 21.574 -4.201 1.00 20.42 O ATOM 1211 CB ALA A 72 -0.484 20.148 -2.748 1.00 70.31 C ATOM 0 H ALA A 72 -1.149 18.519 -4.529 1.00 70.54 H new ATOM 0 HA ALA A 72 -1.109 21.409 -4.360 1.00 22.04 H new ATOM 0 HB1 ALA A 72 0.005 20.952 -2.198 1.00 70.31 H new ATOM 0 HB2 ALA A 72 -1.500 20.020 -2.375 1.00 70.31 H new ATOM 0 HB3 ALA A 72 0.073 19.222 -2.608 1.00 70.31 H new ATOM 1217 N ASN A 73 1.250 20.058 -5.821 1.00 2.12 N ATOM 1218 CA ASN A 73 2.573 20.214 -6.418 1.00 54.43 C ATOM 1219 C ASN A 73 3.660 19.729 -5.464 1.00 42.43 C ATOM 1220 O ASN A 73 4.843 20.011 -5.662 1.00 54.41 O ATOM 1221 CB ASN A 73 2.818 21.677 -6.789 1.00 44.51 C ATOM 1222 CG ASN A 73 1.545 22.391 -7.202 1.00 64.23 C ATOM 1223 OD1 ASN A 73 0.895 22.011 -8.176 1.00 72.33 O ATOM 1224 ND2 ASN A 73 1.184 23.433 -6.462 1.00 33.51 N ATOM 0 H ASN A 73 0.652 19.378 -6.291 1.00 2.12 H new ATOM 0 HA ASN A 73 2.611 19.606 -7.322 1.00 54.43 H new ATOM 0 HB2 ASN A 73 3.262 22.195 -5.939 1.00 44.51 H new ATOM 0 HB3 ASN A 73 3.540 21.726 -7.605 1.00 44.51 H new ATOM 0 HD21 ASN A 73 0.338 23.953 -6.692 1.00 33.51 H new ATOM 0 HD22 ASN A 73 1.753 23.713 -5.663 1.00 33.51 H new ATOM 1231 N ARG A 74 3.252 18.998 -4.433 1.00 3.44 N ATOM 1232 CA ARG A 74 4.192 18.474 -3.448 1.00 3.31 C ATOM 1233 C ARG A 74 4.338 16.962 -3.588 1.00 32.44 C ATOM 1234 O ARG A 74 3.394 16.268 -3.964 1.00 74.55 O ATOM 1235 CB ARG A 74 3.729 18.826 -2.033 1.00 40.14 C ATOM 1236 CG ARG A 74 4.788 18.586 -0.970 1.00 24.31 C ATOM 1237 CD ARG A 74 4.642 19.557 0.192 1.00 13.22 C ATOM 1238 NE ARG A 74 5.446 19.160 1.343 1.00 31.32 N ATOM 1239 CZ ARG A 74 5.691 19.954 2.380 1.00 41.41 C ATOM 1240 NH1 ARG A 74 5.196 21.184 2.406 1.00 22.34 N ATOM 1241 NH2 ARG A 74 6.432 19.519 3.391 1.00 2.20 N ATOM 0 H ARG A 74 2.277 18.755 -4.257 1.00 3.44 H new ATOM 0 HA ARG A 74 5.164 18.933 -3.628 1.00 3.31 H new ATOM 0 HB2 ARG A 74 3.431 19.874 -2.007 1.00 40.14 H new ATOM 0 HB3 ARG A 74 2.844 18.237 -1.792 1.00 40.14 H new ATOM 0 HG2 ARG A 74 4.711 17.563 -0.602 1.00 24.31 H new ATOM 0 HG3 ARG A 74 5.779 18.692 -1.412 1.00 24.31 H new ATOM 0 HD2 ARG A 74 4.939 20.555 -0.130 1.00 13.22 H new ATOM 0 HD3 ARG A 74 3.594 19.616 0.485 1.00 13.22 H new ATOM 0 HE ARG A 74 5.842 18.220 1.352 1.00 31.32 H new ATOM 0 HH11 ARG A 74 4.627 21.521 1.630 1.00 22.34 H new ATOM 0 HH12 ARG A 74 5.384 21.793 3.202 1.00 22.34 H new ATOM 0 HH21 ARG A 74 6.815 18.574 3.373 1.00 2.20 H new ATOM 0 HH22 ARG A 74 6.619 20.130 4.186 1.00 2.20 H new ATOM 1255 N THR A 75 5.530 16.458 -3.281 1.00 52.12 N ATOM 1256 CA THR A 75 5.801 15.029 -3.374 1.00 72.31 C ATOM 1257 C THR A 75 6.153 14.446 -2.009 1.00 22.34 C ATOM 1258 O THR A 75 6.919 15.040 -1.251 1.00 63.24 O ATOM 1259 CB THR A 75 6.950 14.737 -4.356 1.00 73.13 C ATOM 1260 OG1 THR A 75 8.032 15.645 -4.127 1.00 40.13 O ATOM 1261 CG2 THR A 75 6.473 14.858 -5.796 1.00 4.25 C ATOM 0 H THR A 75 6.322 17.018 -2.966 1.00 52.12 H new ATOM 0 HA THR A 75 4.890 14.558 -3.743 1.00 72.31 H new ATOM 0 HB THR A 75 7.293 13.716 -4.188 1.00 73.13 H new ATOM 0 HG1 THR A 75 8.760 15.452 -4.754 1.00 40.13 H new ATOM 0 HG21 THR A 75 7.301 14.648 -6.473 1.00 4.25 H new ATOM 0 HG22 THR A 75 5.669 14.144 -5.974 1.00 4.25 H new ATOM 0 HG23 THR A 75 6.107 15.869 -5.974 1.00 4.25 H new ATOM 1269 N GLY A 76 5.591 13.281 -1.703 1.00 14.33 N ATOM 1270 CA GLY A 76 5.859 12.639 -0.430 1.00 31.15 C ATOM 1271 C GLY A 76 5.945 11.131 -0.549 1.00 55.11 C ATOM 1272 O GLY A 76 5.981 10.589 -1.655 1.00 64.33 O ATOM 0 H GLY A 76 4.954 12.770 -2.315 1.00 14.33 H new ATOM 0 HA2 GLY A 76 6.795 13.022 -0.023 1.00 31.15 H new ATOM 0 HA3 GLY A 76 5.073 12.900 0.278 1.00 31.15 H new ATOM 1276 N TYR A 77 5.978 10.450 0.591 1.00 64.12 N ATOM 1277 CA TYR A 77 6.066 8.994 0.611 1.00 73.02 C ATOM 1278 C TYR A 77 4.811 8.382 1.225 1.00 63.42 C ATOM 1279 O TYR A 77 4.134 9.011 2.040 1.00 54.33 O ATOM 1280 CB TYR A 77 7.301 8.547 1.393 1.00 65.03 C ATOM 1281 CG TYR A 77 8.602 9.068 0.823 1.00 1.32 C ATOM 1282 CD1 TYR A 77 9.004 8.729 -0.463 1.00 63.32 C ATOM 1283 CD2 TYR A 77 9.426 9.900 1.569 1.00 52.43 C ATOM 1284 CE1 TYR A 77 10.192 9.202 -0.988 1.00 13.34 C ATOM 1285 CE2 TYR A 77 10.614 10.379 1.051 1.00 4.14 C ATOM 1286 CZ TYR A 77 10.992 10.027 -0.227 1.00 21.50 C ATOM 1287 OH TYR A 77 12.174 10.502 -0.746 1.00 52.42 O ATOM 0 H TYR A 77 5.945 10.883 1.514 1.00 64.12 H new ATOM 0 HA TYR A 77 6.152 8.646 -0.418 1.00 73.02 H new ATOM 0 HB2 TYR A 77 7.207 8.882 2.426 1.00 65.03 H new ATOM 0 HB3 TYR A 77 7.333 7.458 1.413 1.00 65.03 H new ATOM 0 HD1 TYR A 77 8.378 8.085 -1.063 1.00 63.32 H new ATOM 0 HD2 TYR A 77 9.133 10.177 2.571 1.00 52.43 H new ATOM 0 HE1 TYR A 77 10.492 8.927 -1.988 1.00 13.34 H new ATOM 0 HE2 TYR A 77 11.243 11.026 1.644 1.00 4.14 H new ATOM 0 HH TYR A 77 12.618 11.070 -0.082 1.00 52.42 H new ATOM 1297 N VAL A 78 4.507 7.150 0.832 1.00 51.55 N ATOM 1298 CA VAL A 78 3.337 6.450 1.344 1.00 71.15 C ATOM 1299 C VAL A 78 3.507 4.940 1.234 1.00 61.45 C ATOM 1300 O VAL A 78 4.129 4.425 0.304 1.00 21.14 O ATOM 1301 CB VAL A 78 2.059 6.867 0.590 1.00 31.33 C ATOM 1302 CG1 VAL A 78 1.549 8.205 1.105 1.00 70.10 C ATOM 1303 CG2 VAL A 78 2.319 6.925 -0.906 1.00 53.23 C ATOM 0 H VAL A 78 5.056 6.615 0.159 1.00 51.55 H new ATOM 0 HA VAL A 78 3.238 6.726 2.394 1.00 71.15 H new ATOM 0 HB VAL A 78 1.289 6.118 0.772 1.00 31.33 H new ATOM 0 HG11 VAL A 78 0.646 8.484 0.561 1.00 70.10 H new ATOM 0 HG12 VAL A 78 1.322 8.123 2.168 1.00 70.10 H new ATOM 0 HG13 VAL A 78 2.313 8.968 0.955 1.00 70.10 H new ATOM 0 HG21 VAL A 78 1.406 7.221 -1.423 1.00 53.23 H new ATOM 0 HG22 VAL A 78 3.104 7.653 -1.111 1.00 53.23 H new ATOM 0 HG23 VAL A 78 2.634 5.943 -1.259 1.00 53.23 H new ATOM 1313 N PRO A 79 2.943 4.208 2.206 1.00 61.41 N ATOM 1314 CA PRO A 79 3.018 2.744 2.242 1.00 54.41 C ATOM 1315 C PRO A 79 2.189 2.095 1.138 1.00 62.53 C ATOM 1316 O PRO A 79 0.990 2.339 1.024 1.00 15.13 O ATOM 1317 CB PRO A 79 2.446 2.392 3.616 1.00 30.52 C ATOM 1318 CG PRO A 79 1.554 3.534 3.961 1.00 60.20 C ATOM 1319 CD PRO A 79 2.187 4.753 3.347 1.00 21.01 C ATOM 0 HA PRO A 79 4.035 2.384 2.084 1.00 54.41 H new ATOM 0 HB2 PRO A 79 1.893 1.453 3.585 1.00 30.52 H new ATOM 0 HB3 PRO A 79 3.238 2.271 4.355 1.00 30.52 H new ATOM 0 HG2 PRO A 79 0.549 3.377 3.569 1.00 60.20 H new ATOM 0 HG3 PRO A 79 1.461 3.644 5.041 1.00 60.20 H new ATOM 0 HD2 PRO A 79 1.437 5.475 3.024 1.00 21.01 H new ATOM 0 HD3 PRO A 79 2.840 5.266 4.053 1.00 21.01 H new ATOM 1327 N SER A 80 2.840 1.265 0.327 1.00 65.40 N ATOM 1328 CA SER A 80 2.164 0.582 -0.768 1.00 14.34 C ATOM 1329 C SER A 80 1.045 -0.314 -0.245 1.00 64.22 C ATOM 1330 O SER A 80 0.160 -0.722 -0.995 1.00 35.41 O ATOM 1331 CB SER A 80 3.164 -0.249 -1.574 1.00 73.25 C ATOM 1332 OG SER A 80 3.593 -1.382 -0.840 1.00 35.20 O ATOM 0 H SER A 80 3.834 1.051 0.409 1.00 65.40 H new ATOM 0 HA SER A 80 1.724 1.339 -1.417 1.00 14.34 H new ATOM 0 HB2 SER A 80 2.705 -0.570 -2.509 1.00 73.25 H new ATOM 0 HB3 SER A 80 4.025 0.366 -1.836 1.00 73.25 H new ATOM 0 HG SER A 80 4.472 -1.203 -0.446 1.00 35.20 H new ATOM 1338 N ASN A 81 1.095 -0.615 1.049 1.00 32.43 N ATOM 1339 CA ASN A 81 0.088 -1.464 1.675 1.00 3.14 C ATOM 1340 C ASN A 81 -1.241 -0.725 1.805 1.00 54.54 C ATOM 1341 O ASN A 81 -2.308 -1.338 1.777 1.00 34.32 O ATOM 1342 CB ASN A 81 0.564 -1.924 3.054 1.00 21.53 C ATOM 1343 CG ASN A 81 1.391 -3.194 2.987 1.00 53.23 C ATOM 1344 OD1 ASN A 81 1.708 -3.684 1.902 1.00 3.53 O ATOM 1345 ND2 ASN A 81 1.744 -3.734 4.147 1.00 13.15 N ATOM 0 H ASN A 81 1.822 -0.284 1.684 1.00 32.43 H new ATOM 0 HA ASN A 81 -0.061 -2.337 1.039 1.00 3.14 H new ATOM 0 HB2 ASN A 81 1.156 -1.132 3.514 1.00 21.53 H new ATOM 0 HB3 ASN A 81 -0.300 -2.090 3.697 1.00 21.53 H new ATOM 0 HD21 ASN A 81 2.300 -4.589 4.163 1.00 13.15 H new ATOM 0 HD22 ASN A 81 1.459 -3.294 5.022 1.00 13.15 H new ATOM 1352 N TYR A 82 -1.168 0.593 1.945 1.00 2.35 N ATOM 1353 CA TYR A 82 -2.364 1.416 2.080 1.00 64.31 C ATOM 1354 C TYR A 82 -2.758 2.030 0.739 1.00 71.23 C ATOM 1355 O TYR A 82 -3.708 2.808 0.655 1.00 62.20 O ATOM 1356 CB TYR A 82 -2.135 2.521 3.112 1.00 40.01 C ATOM 1357 CG TYR A 82 -1.913 2.002 4.515 1.00 34.22 C ATOM 1358 CD1 TYR A 82 -0.752 1.316 4.849 1.00 12.54 C ATOM 1359 CD2 TYR A 82 -2.866 2.199 5.508 1.00 12.23 C ATOM 1360 CE1 TYR A 82 -0.547 0.839 6.129 1.00 3.42 C ATOM 1361 CE2 TYR A 82 -2.668 1.729 6.791 1.00 32.50 C ATOM 1362 CZ TYR A 82 -1.507 1.049 7.097 1.00 55.13 C ATOM 1363 OH TYR A 82 -1.305 0.577 8.374 1.00 54.12 O ATOM 0 H TYR A 82 -0.292 1.115 1.968 1.00 2.35 H new ATOM 0 HA TYR A 82 -3.178 0.775 2.419 1.00 64.31 H new ATOM 0 HB2 TYR A 82 -1.271 3.114 2.812 1.00 40.01 H new ATOM 0 HB3 TYR A 82 -2.996 3.190 3.113 1.00 40.01 H new ATOM 0 HD1 TYR A 82 0.003 1.153 4.095 1.00 12.54 H new ATOM 0 HD2 TYR A 82 -3.777 2.729 5.272 1.00 12.23 H new ATOM 0 HE1 TYR A 82 0.360 0.305 6.371 1.00 3.42 H new ATOM 0 HE2 TYR A 82 -3.418 1.893 7.551 1.00 32.50 H new ATOM 0 HH TYR A 82 -1.077 -0.375 8.338 1.00 54.12 H new ATOM 1373 N VAL A 83 -2.019 1.673 -0.306 1.00 3.42 N ATOM 1374 CA VAL A 83 -2.290 2.186 -1.644 1.00 23.34 C ATOM 1375 C VAL A 83 -2.479 1.049 -2.641 1.00 41.41 C ATOM 1376 O VAL A 83 -2.066 -0.082 -2.392 1.00 61.23 O ATOM 1377 CB VAL A 83 -1.152 3.102 -2.135 1.00 35.51 C ATOM 1378 CG1 VAL A 83 -0.162 2.317 -2.981 1.00 75.44 C ATOM 1379 CG2 VAL A 83 -1.716 4.279 -2.917 1.00 62.23 C ATOM 0 H VAL A 83 -1.228 1.031 -0.252 1.00 3.42 H new ATOM 0 HA VAL A 83 -3.211 2.765 -1.580 1.00 23.34 H new ATOM 0 HB VAL A 83 -0.622 3.492 -1.266 1.00 35.51 H new ATOM 0 HG11 VAL A 83 0.634 2.980 -3.319 1.00 75.44 H new ATOM 0 HG12 VAL A 83 0.266 1.510 -2.386 1.00 75.44 H new ATOM 0 HG13 VAL A 83 -0.675 1.897 -3.846 1.00 75.44 H new ATOM 0 HG21 VAL A 83 -0.899 4.916 -3.256 1.00 62.23 H new ATOM 0 HG22 VAL A 83 -2.271 3.910 -3.780 1.00 62.23 H new ATOM 0 HG23 VAL A 83 -2.383 4.856 -2.276 1.00 62.23 H new ATOM 1389 N GLU A 84 -3.106 1.359 -3.771 1.00 11.30 N ATOM 1390 CA GLU A 84 -3.351 0.362 -4.807 1.00 63.35 C ATOM 1391 C GLU A 84 -3.633 1.029 -6.150 1.00 70.21 C ATOM 1392 O GLU A 84 -4.650 1.703 -6.320 1.00 22.42 O ATOM 1393 CB GLU A 84 -4.526 -0.537 -4.415 1.00 0.33 C ATOM 1394 CG GLU A 84 -4.999 -1.445 -5.537 1.00 62.20 C ATOM 1395 CD GLU A 84 -3.909 -2.377 -6.032 1.00 23.14 C ATOM 1396 OE1 GLU A 84 -3.125 -1.960 -6.909 1.00 23.43 O ATOM 1397 OE2 GLU A 84 -3.841 -3.524 -5.540 1.00 14.23 O ATOM 0 H GLU A 84 -3.454 2.292 -3.993 1.00 11.30 H new ATOM 0 HA GLU A 84 -2.453 -0.248 -4.906 1.00 63.35 H new ATOM 0 HB2 GLU A 84 -4.235 -1.150 -3.562 1.00 0.33 H new ATOM 0 HB3 GLU A 84 -5.358 0.088 -4.090 1.00 0.33 H new ATOM 0 HG2 GLU A 84 -5.846 -2.036 -5.189 1.00 62.20 H new ATOM 0 HG3 GLU A 84 -5.355 -0.835 -6.367 1.00 62.20 H new ATOM 1404 N ARG A 85 -2.725 0.838 -7.102 1.00 71.53 N ATOM 1405 CA ARG A 85 -2.875 1.422 -8.429 1.00 44.53 C ATOM 1406 C ARG A 85 -4.085 0.832 -9.149 1.00 3.32 C ATOM 1407 O ARG A 85 -4.581 -0.233 -8.782 1.00 2.30 O ATOM 1408 CB ARG A 85 -1.611 1.188 -9.258 1.00 14.44 C ATOM 1409 CG ARG A 85 -1.287 -0.280 -9.476 1.00 31.02 C ATOM 1410 CD ARG A 85 0.206 -0.503 -9.651 1.00 22.11 C ATOM 1411 NE ARG A 85 0.760 -1.350 -8.599 1.00 61.02 N ATOM 1412 CZ ARG A 85 0.686 -2.677 -8.607 1.00 32.02 C ATOM 1413 NH1 ARG A 85 0.084 -3.302 -9.609 1.00 62.44 N ATOM 1414 NH2 ARG A 85 1.215 -3.379 -7.614 1.00 23.23 N ATOM 0 H ARG A 85 -1.878 0.283 -6.979 1.00 71.53 H new ATOM 0 HA ARG A 85 -3.031 2.494 -8.311 1.00 44.53 H new ATOM 0 HB2 ARG A 85 -1.728 1.673 -10.227 1.00 14.44 H new ATOM 0 HB3 ARG A 85 -0.767 1.667 -8.761 1.00 14.44 H new ATOM 0 HG2 ARG A 85 -1.645 -0.862 -8.627 1.00 31.02 H new ATOM 0 HG3 ARG A 85 -1.816 -0.643 -10.357 1.00 31.02 H new ATOM 0 HD2 ARG A 85 0.393 -0.962 -10.622 1.00 22.11 H new ATOM 0 HD3 ARG A 85 0.719 0.459 -9.650 1.00 22.11 H new ATOM 0 HE ARG A 85 1.230 -0.898 -7.814 1.00 61.02 H new ATOM 0 HH11 ARG A 85 -0.323 -2.765 -10.375 1.00 62.44 H new ATOM 0 HH12 ARG A 85 0.028 -4.320 -9.615 1.00 62.44 H new ATOM 0 HH21 ARG A 85 1.680 -2.901 -6.842 1.00 23.23 H new ATOM 0 HH22 ARG A 85 1.157 -4.397 -7.622 1.00 23.23 H new ATOM 1428 N LYS A 86 -4.555 1.533 -10.176 1.00 31.11 N ATOM 1429 CA LYS A 86 -5.705 1.081 -10.949 1.00 60.52 C ATOM 1430 C LYS A 86 -6.892 0.790 -10.037 1.00 71.44 C ATOM 1431 O LYS A 86 -8.041 0.786 -10.479 1.00 14.21 O ATOM 1432 CB LYS A 86 -5.345 -0.171 -11.752 1.00 30.22 C ATOM 1433 CG LYS A 86 -4.015 -0.068 -12.475 1.00 60.14 C ATOM 1434 CD LYS A 86 -4.086 -0.679 -13.865 1.00 21.24 C ATOM 1435 CE LYS A 86 -3.950 -2.193 -13.817 1.00 62.42 C ATOM 1436 NZ LYS A 86 -3.541 -2.755 -15.133 1.00 23.30 N ATOM 0 H LYS A 86 -4.156 2.417 -10.492 1.00 31.11 H new ATOM 0 HA LYS A 86 -5.985 1.878 -11.638 1.00 60.52 H new ATOM 0 HB2 LYS A 86 -5.318 -1.028 -11.079 1.00 30.22 H new ATOM 0 HB3 LYS A 86 -6.132 -0.363 -12.482 1.00 30.22 H new ATOM 0 HG2 LYS A 86 -3.722 0.979 -12.552 1.00 60.14 H new ATOM 0 HG3 LYS A 86 -3.244 -0.573 -11.894 1.00 60.14 H new ATOM 0 HD2 LYS A 86 -5.034 -0.413 -14.332 1.00 21.24 H new ATOM 0 HD3 LYS A 86 -3.295 -0.261 -14.488 1.00 21.24 H new ATOM 0 HE2 LYS A 86 -3.215 -2.468 -13.061 1.00 62.42 H new ATOM 0 HE3 LYS A 86 -4.900 -2.633 -13.513 1.00 62.42 H new ATOM 0 HZ1 LYS A 86 -3.459 -3.789 -15.059 1.00 23.30 H new ATOM 0 HZ2 LYS A 86 -4.255 -2.515 -15.850 1.00 23.30 H new ATOM 0 HZ3 LYS A 86 -2.622 -2.354 -15.411 1.00 23.30 H new