USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 54 SER OG : rot 180:sc= -0.118 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= -0.255 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= -0.0848 USER MOD Set 2.2: A 45 HIS : no HE2:sc= -2.84! C(o=-2.9!,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= -0.699 (180deg=-2.33!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0556 USER MOD Single : A 5 ASN : amide:sc= -5.97! C(o=-6!,f=-15!) USER MOD Single : A 7 THR OG1 : rot -42:sc= 0.689 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.93 USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0519) USER MOD Single : A 43 GLN : amide:sc= -0.308 K(o=-0.31,f=-1.1) USER MOD Single : A 48 CYS SG : rot 150:sc= -1.25 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 53:sc= -0.728 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -109:sc= -2.13 (180deg=-4.19!) USER MOD Single : A 67 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-3.6!) USER MOD Single : A 78 GLN : amide:sc= -5.29! C(o=-5.3!,f=-15!) USER MOD Single : A 83 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=-0.15) USER MOD Single : A 84 HIS : no HD1:sc= -0.772 K(o=-0.77,f=-2.2!) USER MOD Single : A 85 HIS : no HD1:sc= -0.262 K(o=-0.26,f=-1.3) USER MOD Single : A 86 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.38) USER MOD Single : A 87 HIS : no HD1:sc= -0.634 X(o=-0.63,f=-0.83) USER MOD Single : A 88 HIS : no HD1:sc= -0.769! C(o=-0.77!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.722 -26.141 -9.326 1.00 0.00 N ATOM 2 CA MET A 1 5.444 -26.190 -7.862 1.00 0.00 C ATOM 3 C MET A 1 4.867 -24.848 -7.409 1.00 0.00 C ATOM 4 O MET A 1 5.541 -24.070 -6.731 1.00 0.00 O ATOM 5 CB MET A 1 6.746 -26.483 -7.104 1.00 0.00 C ATOM 6 CG MET A 1 7.068 -27.978 -7.183 1.00 0.00 C ATOM 7 SD MET A 1 8.859 -28.213 -7.028 1.00 0.00 S ATOM 8 CE MET A 1 8.816 -29.857 -6.271 1.00 0.00 C ATOM 0 H1 MET A 1 5.378 -27.014 -9.774 1.00 0.00 H new ATOM 0 H2 MET A 1 5.236 -25.322 -9.744 1.00 0.00 H new ATOM 0 H3 MET A 1 6.746 -26.052 -9.482 1.00 0.00 H new ATOM 0 HA MET A 1 4.723 -26.979 -7.651 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.564 -25.903 -7.530 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.648 -26.178 -6.062 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.549 -28.516 -6.390 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.716 -28.388 -8.130 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.834 -30.199 -6.087 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.273 -29.809 -5.327 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.315 -30.554 -6.943 1.00 0.00 H new ATOM 20 N PRO A 2 3.638 -24.566 -7.768 1.00 0.00 N ATOM 21 CA PRO A 2 2.961 -23.295 -7.389 1.00 0.00 C ATOM 22 C PRO A 2 2.544 -23.288 -5.917 1.00 0.00 C ATOM 23 O PRO A 2 3.260 -22.758 -5.067 1.00 0.00 O ATOM 24 CB PRO A 2 1.734 -23.216 -8.316 1.00 0.00 C ATOM 25 CG PRO A 2 1.759 -24.440 -9.183 1.00 0.00 C ATOM 26 CD PRO A 2 2.759 -25.420 -8.572 1.00 0.00 C ATOM 0 HA PRO A 2 3.623 -22.436 -7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.813 -23.174 -7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.768 -22.312 -8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.768 -24.890 -9.239 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.050 -24.182 -10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.260 -26.170 -7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.316 -25.955 -9.341 1.00 0.00 H new ATOM 34 N THR A 3 1.381 -23.880 -5.631 1.00 0.00 N ATOM 35 CA THR A 3 0.856 -23.940 -4.264 1.00 0.00 C ATOM 36 C THR A 3 0.581 -22.537 -3.732 1.00 0.00 C ATOM 37 O THR A 3 1.284 -21.584 -4.073 1.00 0.00 O ATOM 38 CB THR A 3 1.847 -24.652 -3.330 1.00 0.00 C ATOM 39 OG1 THR A 3 2.597 -25.609 -4.068 1.00 0.00 O ATOM 40 CG2 THR A 3 1.077 -25.363 -2.212 1.00 0.00 C ATOM 0 H THR A 3 0.785 -24.325 -6.329 1.00 0.00 H new ATOM 0 HA THR A 3 -0.077 -24.504 -4.291 1.00 0.00 H new ATOM 0 HB THR A 3 2.524 -23.916 -2.896 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.229 -26.060 -3.471 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.780 -25.868 -1.550 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.504 -24.631 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.398 -26.096 -2.647 1.00 0.00 H new ATOM 48 N GLU A 4 -0.441 -22.416 -2.889 1.00 0.00 N ATOM 49 CA GLU A 4 -0.788 -21.122 -2.308 1.00 0.00 C ATOM 50 C GLU A 4 0.461 -20.451 -1.757 1.00 0.00 C ATOM 51 O GLU A 4 0.658 -19.254 -1.964 1.00 0.00 O ATOM 52 CB GLU A 4 -1.826 -21.298 -1.191 1.00 0.00 C ATOM 53 CG GLU A 4 -1.499 -22.549 -0.367 1.00 0.00 C ATOM 54 CD GLU A 4 -2.367 -22.594 0.889 1.00 0.00 C ATOM 55 OE1 GLU A 4 -2.266 -21.677 1.689 1.00 0.00 O ATOM 56 OE2 GLU A 4 -3.118 -23.544 1.032 1.00 0.00 O ATOM 0 H GLU A 4 -1.038 -23.189 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.218 -20.492 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.832 -20.419 -0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.824 -21.385 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.668 -23.443 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.445 -22.546 -0.090 1.00 0.00 H new ATOM 63 N ASN A 5 1.313 -21.236 -1.082 1.00 0.00 N ATOM 64 CA ASN A 5 2.563 -20.711 -0.527 1.00 0.00 C ATOM 65 C ASN A 5 2.309 -19.354 0.150 1.00 0.00 C ATOM 66 O ASN A 5 1.152 -18.990 0.368 1.00 0.00 O ATOM 67 CB ASN A 5 3.585 -20.596 -1.677 1.00 0.00 C ATOM 68 CG ASN A 5 3.280 -19.395 -2.579 1.00 0.00 C ATOM 69 OD1 ASN A 5 3.087 -18.280 -2.099 1.00 0.00 O ATOM 70 ND2 ASN A 5 3.232 -19.563 -3.872 1.00 0.00 N ATOM 0 H ASN A 5 1.159 -22.229 -0.909 1.00 0.00 H new ATOM 0 HA ASN A 5 2.961 -21.379 0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.589 -20.497 -1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.572 -21.511 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.035 -18.770 -4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.392 -20.487 -4.272 1.00 0.00 H new ATOM 77 N PRO A 6 3.325 -18.578 0.467 1.00 0.00 N ATOM 78 CA PRO A 6 3.102 -17.247 1.074 1.00 0.00 C ATOM 79 C PRO A 6 2.476 -16.327 0.030 1.00 0.00 C ATOM 80 O PRO A 6 3.174 -15.601 -0.679 1.00 0.00 O ATOM 81 CB PRO A 6 4.491 -16.761 1.519 1.00 0.00 C ATOM 82 CG PRO A 6 5.469 -17.840 1.170 1.00 0.00 C ATOM 83 CD PRO A 6 4.755 -18.869 0.291 1.00 0.00 C ATOM 0 HA PRO A 6 2.421 -17.268 1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.751 -15.829 1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.504 -16.561 2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.326 -17.420 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.851 -18.313 2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.053 -18.774 -0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.993 -19.887 0.599 1.00 0.00 H new ATOM 91 N THR A 7 1.152 -16.408 -0.084 1.00 0.00 N ATOM 92 CA THR A 7 0.421 -15.626 -1.075 1.00 0.00 C ATOM 93 C THR A 7 0.576 -14.133 -0.807 1.00 0.00 C ATOM 94 O THR A 7 1.065 -13.730 0.249 1.00 0.00 O ATOM 95 CB THR A 7 -1.065 -16.003 -1.035 1.00 0.00 C ATOM 96 OG1 THR A 7 -1.195 -17.376 -0.696 1.00 0.00 O ATOM 97 CG2 THR A 7 -1.699 -15.755 -2.407 1.00 0.00 C ATOM 0 H THR A 7 0.565 -17.007 0.497 1.00 0.00 H new ATOM 0 HA THR A 7 0.831 -15.847 -2.061 1.00 0.00 H new ATOM 0 HB THR A 7 -1.572 -15.392 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.524 -17.898 -1.183 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.755 -16.024 -2.374 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.601 -14.701 -2.668 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.193 -16.363 -3.157 1.00 0.00 H new ATOM 105 N MET A 8 0.164 -13.318 -1.776 1.00 0.00 N ATOM 106 CA MET A 8 0.267 -11.869 -1.646 1.00 0.00 C ATOM 107 C MET A 8 -0.251 -11.410 -0.285 1.00 0.00 C ATOM 108 O MET A 8 0.455 -10.728 0.454 1.00 0.00 O ATOM 109 CB MET A 8 -0.533 -11.187 -2.761 1.00 0.00 C ATOM 110 CG MET A 8 0.305 -11.143 -4.043 1.00 0.00 C ATOM 111 SD MET A 8 1.659 -9.958 -3.838 1.00 0.00 S ATOM 112 CE MET A 8 2.313 -10.061 -5.522 1.00 0.00 C ATOM 0 H MET A 8 -0.242 -13.636 -2.656 1.00 0.00 H new ATOM 0 HA MET A 8 1.317 -11.590 -1.730 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.461 -11.729 -2.940 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.807 -10.176 -2.459 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.704 -12.133 -4.264 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.319 -10.855 -4.889 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.171 -9.396 -5.620 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.622 -11.085 -5.730 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.541 -9.763 -6.231 1.00 0.00 H new ATOM 122 N PHE A 9 -1.488 -11.796 0.036 1.00 0.00 N ATOM 123 CA PHE A 9 -2.101 -11.426 1.315 1.00 0.00 C ATOM 124 C PHE A 9 -1.093 -11.538 2.458 1.00 0.00 C ATOM 125 O PHE A 9 -1.051 -10.689 3.348 1.00 0.00 O ATOM 126 CB PHE A 9 -3.301 -12.336 1.603 1.00 0.00 C ATOM 127 CG PHE A 9 -4.583 -11.538 1.512 1.00 0.00 C ATOM 128 CD1 PHE A 9 -4.885 -10.581 2.490 1.00 0.00 C ATOM 129 CD2 PHE A 9 -5.469 -11.756 0.449 1.00 0.00 C ATOM 130 CE1 PHE A 9 -6.072 -9.843 2.404 1.00 0.00 C ATOM 131 CE2 PHE A 9 -6.656 -11.018 0.364 1.00 0.00 C ATOM 132 CZ PHE A 9 -6.957 -10.061 1.341 1.00 0.00 C ATOM 0 H PHE A 9 -2.083 -12.362 -0.569 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.434 -10.390 1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.323 -13.160 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.205 -12.776 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.202 -10.413 3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.237 -12.493 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.305 -9.105 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.339 -11.187 -0.455 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.872 -9.491 1.275 1.00 0.00 H new ATOM 142 N ASP A 10 -0.286 -12.592 2.422 1.00 0.00 N ATOM 143 CA ASP A 10 0.724 -12.816 3.451 1.00 0.00 C ATOM 144 C ASP A 10 1.732 -11.669 3.483 1.00 0.00 C ATOM 145 O ASP A 10 1.895 -10.999 4.502 1.00 0.00 O ATOM 146 CB ASP A 10 1.452 -14.137 3.182 1.00 0.00 C ATOM 147 CG ASP A 10 2.317 -14.516 4.380 1.00 0.00 C ATOM 148 OD1 ASP A 10 3.448 -14.059 4.439 1.00 0.00 O ATOM 149 OD2 ASP A 10 1.839 -15.259 5.220 1.00 0.00 O ATOM 0 H ASP A 10 -0.311 -13.305 1.693 1.00 0.00 H new ATOM 0 HA ASP A 10 0.225 -12.864 4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.727 -14.926 2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.073 -14.043 2.291 1.00 0.00 H new ATOM 154 N GLN A 11 2.413 -11.466 2.358 1.00 0.00 N ATOM 155 CA GLN A 11 3.425 -10.414 2.243 1.00 0.00 C ATOM 156 C GLN A 11 2.840 -9.035 2.498 1.00 0.00 C ATOM 157 O GLN A 11 3.313 -8.310 3.369 1.00 0.00 O ATOM 158 CB GLN A 11 4.041 -10.444 0.840 1.00 0.00 C ATOM 159 CG GLN A 11 5.554 -10.240 0.934 1.00 0.00 C ATOM 160 CD GLN A 11 6.095 -9.741 -0.401 1.00 0.00 C ATOM 161 OE1 GLN A 11 6.478 -10.540 -1.255 1.00 0.00 O ATOM 162 NE2 GLN A 11 6.144 -8.457 -0.637 1.00 0.00 N ATOM 0 H GLN A 11 2.283 -12.017 1.509 1.00 0.00 H new ATOM 0 HA GLN A 11 4.187 -10.605 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.823 -11.397 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.597 -9.664 0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.785 -9.522 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.040 -11.177 1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.826 -7.796 0.072 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.500 -8.116 -1.530 1.00 0.00 H new ATOM 171 N VAL A 12 1.827 -8.671 1.726 1.00 0.00 N ATOM 172 CA VAL A 12 1.210 -7.365 1.876 1.00 0.00 C ATOM 173 C VAL A 12 0.833 -7.123 3.322 1.00 0.00 C ATOM 174 O VAL A 12 1.304 -6.168 3.940 1.00 0.00 O ATOM 175 CB VAL A 12 -0.029 -7.270 0.987 1.00 0.00 C ATOM 176 CG1 VAL A 12 0.364 -7.638 -0.428 1.00 0.00 C ATOM 177 CG2 VAL A 12 -1.109 -8.245 1.458 1.00 0.00 C ATOM 0 H VAL A 12 1.419 -9.256 0.997 1.00 0.00 H new ATOM 0 HA VAL A 12 1.926 -6.602 1.572 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.422 -6.254 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.510 -7.575 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.130 -6.949 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.755 -8.655 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.982 -8.161 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.723 -9.264 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.392 -8.007 2.483 1.00 0.00 H new ATOM 187 N ALA A 13 -0.010 -7.989 3.861 1.00 0.00 N ATOM 188 CA ALA A 13 -0.429 -7.848 5.233 1.00 0.00 C ATOM 189 C ALA A 13 0.791 -7.727 6.141 1.00 0.00 C ATOM 190 O ALA A 13 0.807 -6.927 7.074 1.00 0.00 O ATOM 191 CB ALA A 13 -1.284 -9.041 5.665 1.00 0.00 C ATOM 0 H ALA A 13 -0.411 -8.788 3.369 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.031 -6.943 5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.589 -8.913 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.169 -9.102 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.704 -9.959 5.568 1.00 0.00 H new ATOM 197 N GLU A 14 1.811 -8.538 5.851 1.00 0.00 N ATOM 198 CA GLU A 14 3.042 -8.528 6.642 1.00 0.00 C ATOM 199 C GLU A 14 3.746 -7.178 6.543 1.00 0.00 C ATOM 200 O GLU A 14 3.981 -6.513 7.552 1.00 0.00 O ATOM 201 CB GLU A 14 3.986 -9.639 6.168 1.00 0.00 C ATOM 202 CG GLU A 14 5.133 -9.810 7.171 1.00 0.00 C ATOM 203 CD GLU A 14 6.341 -10.442 6.483 1.00 0.00 C ATOM 204 OE1 GLU A 14 6.854 -9.838 5.554 1.00 0.00 O ATOM 205 OE2 GLU A 14 6.738 -11.519 6.897 1.00 0.00 O ATOM 0 H GLU A 14 1.809 -9.205 5.080 1.00 0.00 H new ATOM 0 HA GLU A 14 2.773 -8.703 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.438 -10.575 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.385 -9.394 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.408 -8.842 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.809 -10.436 8.002 1.00 0.00 H new ATOM 212 N VAL A 15 4.092 -6.790 5.317 1.00 0.00 N ATOM 213 CA VAL A 15 4.789 -5.525 5.088 1.00 0.00 C ATOM 214 C VAL A 15 3.965 -4.343 5.602 1.00 0.00 C ATOM 215 O VAL A 15 4.460 -3.519 6.370 1.00 0.00 O ATOM 216 CB VAL A 15 5.070 -5.349 3.590 1.00 0.00 C ATOM 217 CG1 VAL A 15 5.797 -4.024 3.350 1.00 0.00 C ATOM 218 CG2 VAL A 15 5.948 -6.502 3.087 1.00 0.00 C ATOM 0 H VAL A 15 3.903 -7.329 4.472 1.00 0.00 H new ATOM 0 HA VAL A 15 5.731 -5.550 5.636 1.00 0.00 H new ATOM 0 HB VAL A 15 4.123 -5.348 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.994 -3.905 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.175 -3.199 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.741 -4.023 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.145 -6.372 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.892 -6.505 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.432 -7.449 3.248 1.00 0.00 H new ATOM 228 N ILE A 16 2.710 -4.265 5.167 1.00 0.00 N ATOM 229 CA ILE A 16 1.826 -3.177 5.585 1.00 0.00 C ATOM 230 C ILE A 16 1.732 -3.105 7.109 1.00 0.00 C ATOM 231 O ILE A 16 1.932 -2.045 7.701 1.00 0.00 O ATOM 232 CB ILE A 16 0.431 -3.381 4.981 1.00 0.00 C ATOM 233 CG1 ILE A 16 0.518 -3.260 3.452 1.00 0.00 C ATOM 234 CG2 ILE A 16 -0.530 -2.319 5.523 1.00 0.00 C ATOM 235 CD1 ILE A 16 -0.632 -4.035 2.805 1.00 0.00 C ATOM 0 H ILE A 16 2.283 -4.937 4.529 1.00 0.00 H new ATOM 0 HA ILE A 16 2.242 -2.236 5.225 1.00 0.00 H new ATOM 0 HB ILE A 16 0.061 -4.370 5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.473 -2.211 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.474 -3.649 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.519 -2.469 5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.592 -2.404 6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.164 -1.327 5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.566 -3.946 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.567 -5.086 3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.583 -3.626 3.145 1.00 0.00 H new ATOM 247 N GLU A 17 1.428 -4.242 7.731 1.00 0.00 N ATOM 248 CA GLU A 17 1.306 -4.314 9.186 1.00 0.00 C ATOM 249 C GLU A 17 2.537 -3.720 9.869 1.00 0.00 C ATOM 250 O GLU A 17 2.423 -3.028 10.881 1.00 0.00 O ATOM 251 CB GLU A 17 1.133 -5.774 9.616 1.00 0.00 C ATOM 252 CG GLU A 17 1.198 -5.886 11.144 1.00 0.00 C ATOM 253 CD GLU A 17 0.431 -7.121 11.614 1.00 0.00 C ATOM 254 OE1 GLU A 17 0.548 -8.151 10.968 1.00 0.00 O ATOM 255 OE2 GLU A 17 -0.261 -7.019 12.614 1.00 0.00 O ATOM 0 H GLU A 17 1.262 -5.126 7.251 1.00 0.00 H new ATOM 0 HA GLU A 17 0.433 -3.735 9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.178 -6.156 9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.912 -6.389 9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.237 -5.949 11.468 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.776 -4.991 11.600 1.00 0.00 H new ATOM 262 N ARG A 18 3.710 -4.005 9.314 1.00 0.00 N ATOM 263 CA ARG A 18 4.959 -3.505 9.880 1.00 0.00 C ATOM 264 C ARG A 18 5.043 -1.983 9.769 1.00 0.00 C ATOM 265 O ARG A 18 5.426 -1.304 10.720 1.00 0.00 O ATOM 266 CB ARG A 18 6.150 -4.130 9.148 1.00 0.00 C ATOM 267 CG ARG A 18 6.378 -5.558 9.652 1.00 0.00 C ATOM 268 CD ARG A 18 7.110 -6.368 8.578 1.00 0.00 C ATOM 269 NE ARG A 18 7.855 -7.464 9.185 1.00 0.00 N ATOM 270 CZ ARG A 18 8.990 -7.243 9.842 1.00 0.00 C ATOM 271 NH1 ARG A 18 10.109 -7.117 9.186 1.00 0.00 N ATOM 272 NH2 ARG A 18 8.986 -7.155 11.142 1.00 0.00 N ATOM 0 H ARG A 18 3.823 -4.577 8.477 1.00 0.00 H new ATOM 0 HA ARG A 18 4.985 -3.780 10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.964 -4.139 8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.045 -3.530 9.312 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.963 -5.541 10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.424 -6.028 9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.392 -6.763 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.790 -5.720 8.026 1.00 0.00 H new ATOM 0 HE ARG A 18 7.500 -8.417 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.114 -7.188 8.168 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.979 -6.947 9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.112 -7.256 11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.857 -6.985 11.644 1.00 0.00 H new ATOM 286 N LEU A 19 4.708 -1.463 8.592 1.00 0.00 N ATOM 287 CA LEU A 19 4.770 -0.022 8.349 1.00 0.00 C ATOM 288 C LEU A 19 3.624 0.726 9.026 1.00 0.00 C ATOM 289 O LEU A 19 3.744 1.917 9.297 1.00 0.00 O ATOM 290 CB LEU A 19 4.722 0.249 6.843 1.00 0.00 C ATOM 291 CG LEU A 19 6.035 -0.198 6.193 1.00 0.00 C ATOM 292 CD1 LEU A 19 5.800 -0.467 4.704 1.00 0.00 C ATOM 293 CD2 LEU A 19 7.088 0.904 6.351 1.00 0.00 C ATOM 0 H LEU A 19 4.392 -2.013 7.794 1.00 0.00 H new ATOM 0 HA LEU A 19 5.706 0.340 8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.884 -0.284 6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.558 1.311 6.660 1.00 0.00 H new ATOM 0 HG LEU A 19 6.388 -1.108 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.734 -0.785 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.052 -1.252 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.447 0.444 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.022 0.584 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.736 1.815 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.256 1.097 7.410 1.00 0.00 H new ATOM 305 N ARG A 20 2.516 0.032 9.277 1.00 0.00 N ATOM 306 CA ARG A 20 1.344 0.656 9.904 1.00 0.00 C ATOM 307 C ARG A 20 1.745 1.686 10.966 1.00 0.00 C ATOM 308 O ARG A 20 1.426 2.864 10.831 1.00 0.00 O ATOM 309 CB ARG A 20 0.448 -0.411 10.538 1.00 0.00 C ATOM 310 CG ARG A 20 -0.769 -0.663 9.642 1.00 0.00 C ATOM 311 CD ARG A 20 -1.744 -1.599 10.360 1.00 0.00 C ATOM 312 NE ARG A 20 -3.007 -1.676 9.630 1.00 0.00 N ATOM 313 CZ ARG A 20 -3.997 -0.815 9.860 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.158 -0.299 11.048 1.00 0.00 N ATOM 315 NH2 ARG A 20 -4.814 -0.490 8.895 1.00 0.00 N ATOM 0 H ARG A 20 2.401 -0.958 9.059 1.00 0.00 H new ATOM 0 HA ARG A 20 0.796 1.176 9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.009 -1.336 10.675 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.123 -0.086 11.526 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.261 0.280 9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.453 -1.104 8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.306 -2.593 10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.924 -1.240 11.373 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.134 -2.405 8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.524 -0.555 11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.918 0.360 11.219 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.694 -0.895 7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.573 0.169 9.069 1.00 0.00 H new ATOM 329 N PRO A 21 2.423 1.271 12.013 1.00 0.00 N ATOM 330 CA PRO A 21 2.855 2.189 13.108 1.00 0.00 C ATOM 331 C PRO A 21 3.465 3.486 12.571 1.00 0.00 C ATOM 332 O PRO A 21 3.105 4.579 13.006 1.00 0.00 O ATOM 333 CB PRO A 21 3.902 1.386 13.898 1.00 0.00 C ATOM 334 CG PRO A 21 4.034 0.054 13.224 1.00 0.00 C ATOM 335 CD PRO A 21 2.850 -0.106 12.275 1.00 0.00 C ATOM 0 HA PRO A 21 2.008 2.500 13.720 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.859 1.908 13.911 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.592 1.264 14.936 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.974 -0.005 12.676 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.044 -0.748 13.962 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.140 -0.617 11.357 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.051 -0.693 12.728 1.00 0.00 H new ATOM 343 N PHE A 22 4.388 3.348 11.621 1.00 0.00 N ATOM 344 CA PHE A 22 5.048 4.507 11.026 1.00 0.00 C ATOM 345 C PHE A 22 4.123 5.201 10.031 1.00 0.00 C ATOM 346 O PHE A 22 4.005 6.428 10.027 1.00 0.00 O ATOM 347 CB PHE A 22 6.326 4.063 10.308 1.00 0.00 C ATOM 348 CG PHE A 22 7.218 5.261 10.072 1.00 0.00 C ATOM 349 CD1 PHE A 22 7.035 6.060 8.936 1.00 0.00 C ATOM 350 CD2 PHE A 22 8.227 5.574 10.992 1.00 0.00 C ATOM 351 CE1 PHE A 22 7.861 7.169 8.720 1.00 0.00 C ATOM 352 CE2 PHE A 22 9.052 6.684 10.775 1.00 0.00 C ATOM 353 CZ PHE A 22 8.870 7.481 9.639 1.00 0.00 C ATOM 0 H PHE A 22 4.694 2.449 11.249 1.00 0.00 H new ATOM 0 HA PHE A 22 5.298 5.208 11.822 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.851 3.318 10.906 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.076 3.590 9.358 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.257 5.820 8.227 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.368 4.959 11.869 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.720 7.784 7.844 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.829 6.925 11.485 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.508 8.336 9.471 1.00 0.00 H new ATOM 363 N LEU A 23 3.472 4.403 9.191 1.00 0.00 N ATOM 364 CA LEU A 23 2.556 4.934 8.191 1.00 0.00 C ATOM 365 C LEU A 23 1.449 5.729 8.868 1.00 0.00 C ATOM 366 O LEU A 23 1.214 6.884 8.534 1.00 0.00 O ATOM 367 CB LEU A 23 1.943 3.784 7.380 1.00 0.00 C ATOM 368 CG LEU A 23 1.740 4.224 5.926 1.00 0.00 C ATOM 369 CD1 LEU A 23 3.047 4.042 5.147 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.642 3.371 5.283 1.00 0.00 C ATOM 0 H LEU A 23 3.562 3.387 9.184 1.00 0.00 H new ATOM 0 HA LEU A 23 3.109 5.591 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.596 2.912 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.989 3.487 7.816 1.00 0.00 H new ATOM 0 HG LEU A 23 1.447 5.274 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.901 4.355 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.830 4.648 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.341 2.993 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.497 3.684 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.935 2.322 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.289 3.500 5.835 1.00 0.00 H new ATOM 382 N LEU A 24 0.780 5.099 9.826 1.00 0.00 N ATOM 383 CA LEU A 24 -0.308 5.748 10.552 1.00 0.00 C ATOM 384 C LEU A 24 0.100 7.143 11.007 1.00 0.00 C ATOM 385 O LEU A 24 -0.665 8.099 10.868 1.00 0.00 O ATOM 386 CB LEU A 24 -0.678 4.902 11.776 1.00 0.00 C ATOM 387 CG LEU A 24 -2.116 5.199 12.217 1.00 0.00 C ATOM 388 CD1 LEU A 24 -2.558 4.148 13.236 1.00 0.00 C ATOM 389 CD2 LEU A 24 -2.188 6.590 12.860 1.00 0.00 C ATOM 0 H LEU A 24 0.970 4.141 10.119 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.166 5.837 9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.575 3.843 11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.011 5.114 12.594 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.772 5.171 11.347 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.580 4.355 13.552 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.513 3.158 12.781 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.897 4.180 14.102 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.212 6.795 13.171 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.531 6.623 13.729 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.871 7.342 12.137 1.00 0.00 H new ATOM 401 N ARG A 25 1.302 7.249 11.555 1.00 0.00 N ATOM 402 CA ARG A 25 1.801 8.530 12.036 1.00 0.00 C ATOM 403 C ARG A 25 1.764 9.591 10.935 1.00 0.00 C ATOM 404 O ARG A 25 1.091 10.611 11.077 1.00 0.00 O ATOM 405 CB ARG A 25 3.235 8.371 12.557 1.00 0.00 C ATOM 406 CG ARG A 25 3.211 7.654 13.912 1.00 0.00 C ATOM 407 CD ARG A 25 3.058 8.678 15.040 1.00 0.00 C ATOM 408 NE ARG A 25 4.346 9.288 15.346 1.00 0.00 N ATOM 409 CZ ARG A 25 4.762 9.428 16.601 1.00 0.00 C ATOM 410 NH1 ARG A 25 4.892 8.381 17.367 1.00 0.00 N ATOM 411 NH2 ARG A 25 5.042 10.614 17.065 1.00 0.00 N ATOM 0 H ARG A 25 1.947 6.468 11.677 1.00 0.00 H new ATOM 0 HA ARG A 25 1.152 8.861 12.847 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.831 7.802 11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.706 9.348 12.659 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.387 6.941 13.942 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.130 7.084 14.048 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.344 9.448 14.748 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.657 8.192 15.930 1.00 0.00 H new ATOM 0 HE ARG A 25 4.939 9.614 14.583 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.674 7.453 17.004 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.211 8.490 18.330 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.942 11.433 16.465 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.361 10.723 18.028 1.00 0.00 H new ATOM 425 N ASP A 26 2.513 9.362 9.854 1.00 0.00 N ATOM 426 CA ASP A 26 2.573 10.333 8.756 1.00 0.00 C ATOM 427 C ASP A 26 1.733 9.932 7.533 1.00 0.00 C ATOM 428 O ASP A 26 0.949 10.734 7.026 1.00 0.00 O ATOM 429 CB ASP A 26 4.029 10.521 8.323 1.00 0.00 C ATOM 430 CG ASP A 26 4.865 11.036 9.494 1.00 0.00 C ATOM 431 OD1 ASP A 26 4.474 12.030 10.085 1.00 0.00 O ATOM 432 OD2 ASP A 26 5.883 10.428 9.781 1.00 0.00 O ATOM 0 H ASP A 26 3.080 8.525 9.715 1.00 0.00 H new ATOM 0 HA ASP A 26 2.151 11.262 9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.435 9.575 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.081 11.225 7.492 1.00 0.00 H new ATOM 437 N GLY A 27 1.946 8.715 7.031 1.00 0.00 N ATOM 438 CA GLY A 27 1.248 8.245 5.826 1.00 0.00 C ATOM 439 C GLY A 27 -0.158 7.710 6.094 1.00 0.00 C ATOM 440 O GLY A 27 -0.801 7.182 5.183 1.00 0.00 O ATOM 0 H GLY A 27 2.592 8.037 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.184 9.066 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.842 7.460 5.357 1.00 0.00 H new ATOM 444 N GLY A 28 -0.635 7.825 7.327 1.00 0.00 N ATOM 445 CA GLY A 28 -1.965 7.324 7.659 1.00 0.00 C ATOM 446 C GLY A 28 -2.007 5.800 7.557 1.00 0.00 C ATOM 447 O GLY A 28 -0.970 5.139 7.617 1.00 0.00 O ATOM 0 H GLY A 28 -0.131 8.253 8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.235 7.634 8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.702 7.759 6.985 1.00 0.00 H new ATOM 451 N ASP A 29 -3.209 5.245 7.413 1.00 0.00 N ATOM 452 CA ASP A 29 -3.362 3.793 7.319 1.00 0.00 C ATOM 453 C ASP A 29 -4.069 3.390 6.026 1.00 0.00 C ATOM 454 O ASP A 29 -4.958 4.092 5.547 1.00 0.00 O ATOM 455 CB ASP A 29 -4.169 3.283 8.521 1.00 0.00 C ATOM 456 CG ASP A 29 -3.250 2.956 9.703 1.00 0.00 C ATOM 457 OD1 ASP A 29 -2.042 3.057 9.553 1.00 0.00 O ATOM 458 OD2 ASP A 29 -3.774 2.607 10.748 1.00 0.00 O ATOM 0 H ASP A 29 -4.082 5.770 7.359 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.367 3.347 7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.897 4.037 8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.730 2.393 8.235 1.00 0.00 H new ATOM 463 N CYS A 30 -3.667 2.243 5.479 1.00 0.00 N ATOM 464 CA CYS A 30 -4.263 1.724 4.249 1.00 0.00 C ATOM 465 C CYS A 30 -4.951 0.391 4.527 1.00 0.00 C ATOM 466 O CYS A 30 -4.800 -0.174 5.612 1.00 0.00 O ATOM 467 CB CYS A 30 -3.184 1.536 3.179 1.00 0.00 C ATOM 468 SG CYS A 30 -1.951 2.854 3.323 1.00 0.00 S ATOM 0 H CYS A 30 -2.930 1.655 5.869 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.001 2.440 3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.707 0.563 3.296 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.635 1.552 2.187 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.034 2.692 2.415 1.00 0.00 H new ATOM 474 N THR A 31 -5.711 -0.109 3.553 1.00 0.00 N ATOM 475 CA THR A 31 -6.416 -1.376 3.733 1.00 0.00 C ATOM 476 C THR A 31 -6.616 -2.098 2.401 1.00 0.00 C ATOM 477 O THR A 31 -7.211 -1.549 1.471 1.00 0.00 O ATOM 478 CB THR A 31 -7.780 -1.122 4.387 1.00 0.00 C ATOM 479 OG1 THR A 31 -7.588 -0.515 5.658 1.00 0.00 O ATOM 480 CG2 THR A 31 -8.531 -2.445 4.561 1.00 0.00 C ATOM 0 H THR A 31 -5.853 0.336 2.646 1.00 0.00 H new ATOM 0 HA THR A 31 -5.807 -2.011 4.377 1.00 0.00 H new ATOM 0 HB THR A 31 -8.366 -0.461 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.459 -0.350 6.077 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.498 -2.256 5.026 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.681 -2.909 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.948 -3.113 5.195 1.00 0.00 H new ATOM 488 N LEU A 32 -6.131 -3.338 2.329 1.00 0.00 N ATOM 489 CA LEU A 32 -6.274 -4.145 1.121 1.00 0.00 C ATOM 490 C LEU A 32 -7.718 -4.624 1.001 1.00 0.00 C ATOM 491 O LEU A 32 -8.172 -5.456 1.788 1.00 0.00 O ATOM 492 CB LEU A 32 -5.325 -5.350 1.178 1.00 0.00 C ATOM 493 CG LEU A 32 -5.613 -6.313 0.016 1.00 0.00 C ATOM 494 CD1 LEU A 32 -5.464 -5.581 -1.321 1.00 0.00 C ATOM 495 CD2 LEU A 32 -4.622 -7.482 0.067 1.00 0.00 C ATOM 0 H LEU A 32 -5.638 -3.803 3.091 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.019 -3.540 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.291 -5.009 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.444 -5.870 2.128 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.632 -6.688 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.670 -6.272 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.168 -4.750 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.447 -5.200 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.824 -8.167 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.605 -7.101 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.732 -8.011 1.014 1.00 0.00 H new ATOM 507 N VAL A 33 -8.438 -4.079 0.027 1.00 0.00 N ATOM 508 CA VAL A 33 -9.837 -4.441 -0.171 1.00 0.00 C ATOM 509 C VAL A 33 -9.978 -5.685 -1.047 1.00 0.00 C ATOM 510 O VAL A 33 -10.924 -6.457 -0.882 1.00 0.00 O ATOM 511 CB VAL A 33 -10.593 -3.266 -0.803 1.00 0.00 C ATOM 512 CG1 VAL A 33 -10.021 -2.967 -2.192 1.00 0.00 C ATOM 513 CG2 VAL A 33 -12.080 -3.617 -0.926 1.00 0.00 C ATOM 0 H VAL A 33 -8.080 -3.390 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.266 -4.671 0.804 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.479 -2.386 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.562 -2.131 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.966 -2.710 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.128 -3.847 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.615 -2.781 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.195 -4.501 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.489 -3.820 0.064 1.00 0.00 H new ATOM 523 N ASP A 34 -9.047 -5.877 -1.979 1.00 0.00 N ATOM 524 CA ASP A 34 -9.112 -7.037 -2.862 1.00 0.00 C ATOM 525 C ASP A 34 -7.787 -7.263 -3.587 1.00 0.00 C ATOM 526 O ASP A 34 -7.142 -6.314 -4.040 1.00 0.00 O ATOM 527 CB ASP A 34 -10.232 -6.838 -3.890 1.00 0.00 C ATOM 528 CG ASP A 34 -10.806 -8.187 -4.318 1.00 0.00 C ATOM 529 OD1 ASP A 34 -10.024 -9.083 -4.598 1.00 0.00 O ATOM 530 OD2 ASP A 34 -12.020 -8.304 -4.363 1.00 0.00 O ATOM 0 H ASP A 34 -8.253 -5.257 -2.140 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.318 -7.916 -2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.021 -6.219 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.846 -6.307 -4.760 1.00 0.00 H new ATOM 535 N VAL A 35 -7.403 -8.534 -3.702 1.00 0.00 N ATOM 536 CA VAL A 35 -6.166 -8.906 -4.386 1.00 0.00 C ATOM 537 C VAL A 35 -6.493 -9.556 -5.730 1.00 0.00 C ATOM 538 O VAL A 35 -7.423 -10.359 -5.830 1.00 0.00 O ATOM 539 CB VAL A 35 -5.352 -9.873 -3.513 1.00 0.00 C ATOM 540 CG1 VAL A 35 -6.188 -11.116 -3.190 1.00 0.00 C ATOM 541 CG2 VAL A 35 -4.079 -10.295 -4.257 1.00 0.00 C ATOM 0 H VAL A 35 -7.931 -9.323 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.572 -8.009 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.082 -9.370 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.604 -11.797 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.089 -10.819 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.467 -11.618 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.504 -10.981 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.350 -10.791 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.477 -9.413 -4.477 1.00 0.00 H new ATOM 551 N GLU A 36 -5.734 -9.195 -6.761 1.00 0.00 N ATOM 552 CA GLU A 36 -5.964 -9.742 -8.096 1.00 0.00 C ATOM 553 C GLU A 36 -4.679 -9.713 -8.920 1.00 0.00 C ATOM 554 O GLU A 36 -4.441 -8.775 -9.679 1.00 0.00 O ATOM 555 CB GLU A 36 -7.061 -8.931 -8.799 1.00 0.00 C ATOM 556 CG GLU A 36 -7.454 -9.604 -10.121 1.00 0.00 C ATOM 557 CD GLU A 36 -8.164 -10.929 -9.848 1.00 0.00 C ATOM 558 OE1 GLU A 36 -9.276 -10.891 -9.348 1.00 0.00 O ATOM 559 OE2 GLU A 36 -7.585 -11.961 -10.147 1.00 0.00 O ATOM 0 H GLU A 36 -4.961 -8.532 -6.700 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.284 -10.780 -8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.934 -8.848 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.708 -7.917 -8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.107 -8.945 -10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.565 -9.778 -10.727 1.00 0.00 H new ATOM 566 N ASP A 37 -3.861 -10.754 -8.760 1.00 0.00 N ATOM 567 CA ASP A 37 -2.595 -10.860 -9.486 1.00 0.00 C ATOM 568 C ASP A 37 -1.715 -9.637 -9.224 1.00 0.00 C ATOM 569 O ASP A 37 -0.870 -9.653 -8.328 1.00 0.00 O ATOM 570 CB ASP A 37 -2.860 -11.004 -10.990 1.00 0.00 C ATOM 571 CG ASP A 37 -3.517 -12.351 -11.274 1.00 0.00 C ATOM 572 OD1 ASP A 37 -2.792 -13.319 -11.440 1.00 0.00 O ATOM 573 OD2 ASP A 37 -4.737 -12.397 -11.318 1.00 0.00 O ATOM 0 H ASP A 37 -4.053 -11.536 -8.134 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.069 -11.746 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.505 -10.195 -11.334 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.924 -10.922 -11.543 1.00 0.00 H new ATOM 578 N GLY A 38 -1.924 -8.584 -10.010 1.00 0.00 N ATOM 579 CA GLY A 38 -1.154 -7.351 -9.860 1.00 0.00 C ATOM 580 C GLY A 38 -2.082 -6.151 -9.693 1.00 0.00 C ATOM 581 O GLY A 38 -1.654 -5.075 -9.272 1.00 0.00 O ATOM 0 H GLY A 38 -2.619 -8.559 -10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.496 -7.431 -8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.517 -7.206 -10.733 1.00 0.00 H new ATOM 585 N ILE A 39 -3.356 -6.349 -10.025 1.00 0.00 N ATOM 586 CA ILE A 39 -4.354 -5.291 -9.908 1.00 0.00 C ATOM 587 C ILE A 39 -4.942 -5.283 -8.500 1.00 0.00 C ATOM 588 O ILE A 39 -6.138 -5.509 -8.308 1.00 0.00 O ATOM 589 CB ILE A 39 -5.465 -5.502 -10.945 1.00 0.00 C ATOM 590 CG1 ILE A 39 -4.840 -5.715 -12.334 1.00 0.00 C ATOM 591 CG2 ILE A 39 -6.376 -4.269 -10.987 1.00 0.00 C ATOM 592 CD1 ILE A 39 -4.807 -7.211 -12.666 1.00 0.00 C ATOM 0 H ILE A 39 -3.721 -7.234 -10.377 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.877 -4.329 -10.095 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.050 -6.378 -10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.416 -5.179 -13.088 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.830 -5.306 -12.355 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.163 -4.423 -11.725 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.824 -4.114 -10.005 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.789 -3.392 -11.261 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.363 -7.355 -13.651 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.212 -7.736 -11.919 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.823 -7.607 -12.664 1.00 0.00 H new ATOM 604 N VAL A 40 -4.085 -5.033 -7.516 1.00 0.00 N ATOM 605 CA VAL A 40 -4.514 -5.006 -6.122 1.00 0.00 C ATOM 606 C VAL A 40 -5.150 -3.662 -5.774 1.00 0.00 C ATOM 607 O VAL A 40 -4.517 -2.609 -5.889 1.00 0.00 O ATOM 608 CB VAL A 40 -3.311 -5.283 -5.201 1.00 0.00 C ATOM 609 CG1 VAL A 40 -3.419 -4.458 -3.912 1.00 0.00 C ATOM 610 CG2 VAL A 40 -3.278 -6.772 -4.843 1.00 0.00 C ATOM 0 H VAL A 40 -3.092 -4.847 -7.657 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.264 -5.783 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.397 -5.003 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.561 -4.667 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.438 -3.397 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.336 -4.724 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.427 -6.971 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.200 -7.043 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.183 -7.363 -5.754 1.00 0.00 H new ATOM 620 N LYS A 41 -6.403 -3.714 -5.332 1.00 0.00 N ATOM 621 CA LYS A 41 -7.120 -2.509 -4.941 1.00 0.00 C ATOM 622 C LYS A 41 -6.789 -2.170 -3.491 1.00 0.00 C ATOM 623 O LYS A 41 -6.472 -3.058 -2.700 1.00 0.00 O ATOM 624 CB LYS A 41 -8.629 -2.721 -5.095 1.00 0.00 C ATOM 625 CG LYS A 41 -9.043 -2.489 -6.553 1.00 0.00 C ATOM 626 CD LYS A 41 -10.320 -3.279 -6.858 1.00 0.00 C ATOM 627 CE LYS A 41 -10.987 -2.714 -8.117 1.00 0.00 C ATOM 628 NZ LYS A 41 -11.738 -1.474 -7.769 1.00 0.00 N ATOM 0 H LYS A 41 -6.940 -4.576 -5.236 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.814 -1.685 -5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.896 -3.732 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.170 -2.037 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.210 -1.426 -6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.242 -2.801 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.082 -4.333 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.006 -3.220 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.233 -2.495 -8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.664 -3.453 -8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.351 -1.204 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.322 -1.647 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.066 -0.705 -7.573 1.00 0.00 H new ATOM 642 N LEU A 42 -6.853 -0.887 -3.147 1.00 0.00 N ATOM 643 CA LEU A 42 -6.542 -0.457 -1.788 1.00 0.00 C ATOM 644 C LEU A 42 -7.490 0.647 -1.334 1.00 0.00 C ATOM 645 O LEU A 42 -8.260 1.190 -2.129 1.00 0.00 O ATOM 646 CB LEU A 42 -5.099 0.058 -1.722 1.00 0.00 C ATOM 647 CG LEU A 42 -4.151 -1.090 -1.361 1.00 0.00 C ATOM 648 CD1 LEU A 42 -2.769 -0.820 -1.965 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.033 -1.195 0.164 1.00 0.00 C ATOM 0 H LEU A 42 -7.115 -0.134 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.661 -1.315 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.813 0.489 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.021 0.853 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.544 -2.025 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.094 -1.636 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.854 -0.746 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.375 0.115 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.359 -2.012 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.640 -0.260 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.016 -1.388 0.593 1.00 0.00 H new ATOM 661 N GLN A 43 -7.408 0.983 -0.049 1.00 0.00 N ATOM 662 CA GLN A 43 -8.242 2.032 0.525 1.00 0.00 C ATOM 663 C GLN A 43 -7.466 2.760 1.620 1.00 0.00 C ATOM 664 O GLN A 43 -7.010 2.142 2.582 1.00 0.00 O ATOM 665 CB GLN A 43 -9.526 1.434 1.109 1.00 0.00 C ATOM 666 CG GLN A 43 -10.618 2.509 1.159 1.00 0.00 C ATOM 667 CD GLN A 43 -11.958 1.884 1.531 1.00 0.00 C ATOM 668 OE1 GLN A 43 -12.247 0.749 1.148 1.00 0.00 O ATOM 669 NE2 GLN A 43 -12.802 2.565 2.257 1.00 0.00 N ATOM 0 H GLN A 43 -6.771 0.542 0.614 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.512 2.738 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.857 0.593 0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.336 1.047 2.110 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.351 3.275 1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.696 3.004 0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.561 3.504 2.573 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.703 2.158 2.508 1.00 0.00 H new ATOM 678 N LEU A 44 -7.307 4.072 1.457 1.00 0.00 N ATOM 679 CA LEU A 44 -6.568 4.871 2.432 1.00 0.00 C ATOM 680 C LEU A 44 -7.469 5.282 3.591 1.00 0.00 C ATOM 681 O LEU A 44 -8.695 5.232 3.487 1.00 0.00 O ATOM 682 CB LEU A 44 -5.993 6.124 1.757 1.00 0.00 C ATOM 683 CG LEU A 44 -4.463 6.042 1.734 1.00 0.00 C ATOM 684 CD1 LEU A 44 -3.903 7.126 0.807 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.917 6.248 3.153 1.00 0.00 C ATOM 0 H LEU A 44 -7.676 4.600 0.667 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.753 4.262 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.378 6.210 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.311 7.017 2.295 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.159 5.061 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.815 7.066 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.288 6.977 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.207 8.108 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.829 6.190 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.222 7.227 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.312 5.474 3.811 1.00 0.00 H new ATOM 697 N HIS A 45 -6.844 5.688 4.694 1.00 0.00 N ATOM 698 CA HIS A 45 -7.578 6.107 5.886 1.00 0.00 C ATOM 699 C HIS A 45 -6.717 7.045 6.727 1.00 0.00 C ATOM 700 O HIS A 45 -6.137 6.639 7.736 1.00 0.00 O ATOM 701 CB HIS A 45 -7.968 4.887 6.735 1.00 0.00 C ATOM 702 CG HIS A 45 -8.679 3.869 5.886 1.00 0.00 C ATOM 703 ND1 HIS A 45 -10.042 3.931 5.641 1.00 0.00 N ATOM 704 CD2 HIS A 45 -8.228 2.758 5.212 1.00 0.00 C ATOM 705 CE1 HIS A 45 -10.361 2.890 4.850 1.00 0.00 C ATOM 706 NE2 HIS A 45 -9.292 2.143 4.560 1.00 0.00 N ATOM 0 H HIS A 45 -5.829 5.736 4.787 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.482 6.625 5.566 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.076 4.443 7.178 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.611 5.198 7.558 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -10.686 4.638 5.996 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.204 2.415 5.192 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.359 2.684 4.493 1.00 0.00 H new ATOM 714 N GLY A 46 -6.642 8.304 6.301 1.00 0.00 N ATOM 715 CA GLY A 46 -5.856 9.303 7.016 1.00 0.00 C ATOM 716 C GLY A 46 -6.525 10.667 6.941 1.00 0.00 C ATOM 717 O GLY A 46 -5.894 11.661 6.579 1.00 0.00 O ATOM 0 H GLY A 46 -7.114 8.654 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.742 9.005 8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.855 9.359 6.589 1.00 0.00 H new ATOM 721 N ALA A 47 -7.811 10.702 7.283 1.00 0.00 N ATOM 722 CA ALA A 47 -8.581 11.941 7.254 1.00 0.00 C ATOM 723 C ALA A 47 -8.769 12.424 5.816 1.00 0.00 C ATOM 724 O ALA A 47 -7.877 13.043 5.232 1.00 0.00 O ATOM 725 CB ALA A 47 -7.881 13.023 8.087 1.00 0.00 C ATOM 0 H ALA A 47 -8.342 9.884 7.584 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.563 11.745 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.467 13.942 8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.790 12.685 9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.888 13.212 7.678 1.00 0.00 H new ATOM 731 N CYS A 48 -9.940 12.129 5.253 1.00 0.00 N ATOM 732 CA CYS A 48 -10.253 12.527 3.883 1.00 0.00 C ATOM 733 C CYS A 48 -10.016 14.022 3.685 1.00 0.00 C ATOM 734 O CYS A 48 -9.587 14.453 2.613 1.00 0.00 O ATOM 735 CB CYS A 48 -11.712 12.192 3.565 1.00 0.00 C ATOM 736 SG CYS A 48 -12.034 10.453 3.955 1.00 0.00 S ATOM 0 H CYS A 48 -10.686 11.617 5.724 1.00 0.00 H new ATOM 0 HA CYS A 48 -9.596 11.978 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -12.377 12.834 4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -11.919 12.383 2.512 1.00 0.00 H new ATOM 0 HG CYS A 48 -13.278 10.310 4.305 1.00 0.00 H new ATOM 742 N GLY A 49 -10.297 14.802 4.726 1.00 0.00 N ATOM 743 CA GLY A 49 -10.112 16.249 4.666 1.00 0.00 C ATOM 744 C GLY A 49 -10.926 16.856 3.528 1.00 0.00 C ATOM 745 O GLY A 49 -12.152 16.742 3.500 1.00 0.00 O ATOM 0 H GLY A 49 -10.652 14.458 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.413 16.697 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.056 16.479 4.526 1.00 0.00 H new ATOM 749 N THR A 50 -10.233 17.501 2.591 1.00 0.00 N ATOM 750 CA THR A 50 -10.897 18.121 1.450 1.00 0.00 C ATOM 751 C THR A 50 -9.951 18.182 0.252 1.00 0.00 C ATOM 752 O THR A 50 -10.371 18.008 -0.892 1.00 0.00 O ATOM 753 CB THR A 50 -11.366 19.534 1.819 1.00 0.00 C ATOM 754 OG1 THR A 50 -12.300 19.990 0.850 1.00 0.00 O ATOM 755 CG2 THR A 50 -10.170 20.491 1.869 1.00 0.00 C ATOM 0 H THR A 50 -9.219 17.607 2.600 1.00 0.00 H new ATOM 0 HA THR A 50 -11.763 17.517 1.181 1.00 0.00 H new ATOM 0 HB THR A 50 -11.839 19.507 2.801 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.602 20.892 1.086 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.515 21.491 2.132 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.458 20.144 2.618 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.686 20.519 0.893 1.00 0.00 H new ATOM 763 N CYS A 51 -8.671 18.428 0.529 1.00 0.00 N ATOM 764 CA CYS A 51 -7.670 18.508 -0.530 1.00 0.00 C ATOM 765 C CYS A 51 -6.288 18.108 -0.005 1.00 0.00 C ATOM 766 O CYS A 51 -5.302 18.812 -0.230 1.00 0.00 O ATOM 767 CB CYS A 51 -7.617 19.935 -1.089 1.00 0.00 C ATOM 768 SG CYS A 51 -7.110 21.081 0.217 1.00 0.00 S ATOM 0 H CYS A 51 -8.306 18.574 1.470 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.953 17.816 -1.323 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.916 19.984 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.594 20.220 -1.478 1.00 0.00 H new ATOM 0 HG CYS A 51 -6.004 20.662 0.757 1.00 0.00 H new ATOM 774 N PRO A 52 -6.200 16.993 0.683 1.00 0.00 N ATOM 775 CA PRO A 52 -4.915 16.488 1.246 1.00 0.00 C ATOM 776 C PRO A 52 -3.780 16.552 0.226 1.00 0.00 C ATOM 777 O PRO A 52 -3.795 15.836 -0.775 1.00 0.00 O ATOM 778 CB PRO A 52 -5.206 15.031 1.637 1.00 0.00 C ATOM 779 CG PRO A 52 -6.637 14.754 1.280 1.00 0.00 C ATOM 780 CD PRO A 52 -7.314 16.095 1.005 1.00 0.00 C ATOM 0 HA PRO A 52 -4.586 17.094 2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.539 14.350 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.039 14.878 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.695 14.109 0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.140 14.231 2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.021 16.023 0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.872 16.446 1.873 1.00 0.00 H new ATOM 788 N SER A 53 -2.803 17.414 0.488 1.00 0.00 N ATOM 789 CA SER A 53 -1.663 17.564 -0.412 1.00 0.00 C ATOM 790 C SER A 53 -0.548 16.592 -0.032 1.00 0.00 C ATOM 791 O SER A 53 0.317 16.275 -0.850 1.00 0.00 O ATOM 792 CB SER A 53 -1.137 19.000 -0.352 1.00 0.00 C ATOM 793 OG SER A 53 -0.058 19.145 -1.267 1.00 0.00 O ATOM 0 H SER A 53 -2.776 18.016 1.311 1.00 0.00 H new ATOM 0 HA SER A 53 -1.992 17.341 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.934 19.702 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.805 19.236 0.659 1.00 0.00 H new ATOM 0 HG SER A 53 0.280 20.064 -1.232 1.00 0.00 H new ATOM 799 N SER A 54 -0.575 16.127 1.215 1.00 0.00 N ATOM 800 CA SER A 54 0.439 15.195 1.704 1.00 0.00 C ATOM 801 C SER A 54 0.134 13.769 1.253 1.00 0.00 C ATOM 802 O SER A 54 1.038 13.025 0.870 1.00 0.00 O ATOM 803 CB SER A 54 0.494 15.247 3.232 1.00 0.00 C ATOM 804 OG SER A 54 -0.667 14.627 3.769 1.00 0.00 O ATOM 0 H SER A 54 -1.285 16.379 1.903 1.00 0.00 H new ATOM 0 HA SER A 54 1.403 15.490 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.389 14.740 3.592 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.556 16.282 3.569 1.00 0.00 H new ATOM 0 HG SER A 54 -0.632 14.658 4.748 1.00 0.00 H new ATOM 810 N THR A 55 -1.142 13.393 1.310 1.00 0.00 N ATOM 811 CA THR A 55 -1.558 12.049 0.914 1.00 0.00 C ATOM 812 C THR A 55 -1.154 11.756 -0.529 1.00 0.00 C ATOM 813 O THR A 55 -0.674 10.664 -0.837 1.00 0.00 O ATOM 814 CB THR A 55 -3.076 11.905 1.064 1.00 0.00 C ATOM 815 OG1 THR A 55 -3.493 12.530 2.271 1.00 0.00 O ATOM 816 CG2 THR A 55 -3.452 10.421 1.101 1.00 0.00 C ATOM 0 H THR A 55 -1.902 13.996 1.625 1.00 0.00 H new ATOM 0 HA THR A 55 -1.059 11.332 1.566 1.00 0.00 H new ATOM 0 HB THR A 55 -3.570 12.381 0.217 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.464 12.440 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.532 10.322 1.208 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.133 9.942 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.958 9.942 1.946 1.00 0.00 H new ATOM 824 N ILE A 56 -1.351 12.735 -1.408 1.00 0.00 N ATOM 825 CA ILE A 56 -1.002 12.569 -2.817 1.00 0.00 C ATOM 826 C ILE A 56 0.488 12.265 -2.968 1.00 0.00 C ATOM 827 O ILE A 56 0.875 11.359 -3.708 1.00 0.00 O ATOM 828 CB ILE A 56 -1.353 13.839 -3.602 1.00 0.00 C ATOM 829 CG1 ILE A 56 -2.824 14.203 -3.359 1.00 0.00 C ATOM 830 CG2 ILE A 56 -1.130 13.592 -5.098 1.00 0.00 C ATOM 831 CD1 ILE A 56 -3.134 15.561 -3.995 1.00 0.00 C ATOM 0 H ILE A 56 -1.747 13.645 -1.173 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.574 11.731 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.716 14.659 -3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.473 13.436 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.028 14.237 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.379 14.494 -5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.085 13.334 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.767 12.772 -5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.179 15.815 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.496 16.325 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.948 15.511 -5.068 1.00 0.00 H new ATOM 843 N THR A 57 1.314 13.028 -2.256 1.00 0.00 N ATOM 844 CA THR A 57 2.762 12.838 -2.309 1.00 0.00 C ATOM 845 C THR A 57 3.142 11.472 -1.747 1.00 0.00 C ATOM 846 O THR A 57 3.956 10.755 -2.330 1.00 0.00 O ATOM 847 CB THR A 57 3.459 13.941 -1.501 1.00 0.00 C ATOM 848 OG1 THR A 57 3.262 15.192 -2.144 1.00 0.00 O ATOM 849 CG2 THR A 57 4.959 13.648 -1.402 1.00 0.00 C ATOM 0 H THR A 57 1.008 13.780 -1.639 1.00 0.00 H new ATOM 0 HA THR A 57 3.083 12.890 -3.349 1.00 0.00 H new ATOM 0 HB THR A 57 3.035 13.973 -0.497 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.705 15.898 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.446 14.435 -0.827 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.111 12.689 -0.906 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.389 13.610 -2.403 1.00 0.00 H new ATOM 857 N LEU A 58 2.544 11.120 -0.611 1.00 0.00 N ATOM 858 CA LEU A 58 2.822 9.839 0.028 1.00 0.00 C ATOM 859 C LEU A 58 2.520 8.689 -0.931 1.00 0.00 C ATOM 860 O LEU A 58 3.386 7.861 -1.211 1.00 0.00 O ATOM 861 CB LEU A 58 1.969 9.696 1.298 1.00 0.00 C ATOM 862 CG LEU A 58 2.701 8.838 2.342 1.00 0.00 C ATOM 863 CD1 LEU A 58 3.063 7.474 1.744 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.979 9.553 2.799 1.00 0.00 C ATOM 0 H LEU A 58 1.867 11.702 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 58 3.878 9.803 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.755 10.681 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.011 9.240 1.050 1.00 0.00 H new ATOM 0 HG LEU A 58 2.043 8.689 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.581 6.875 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.153 6.960 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.712 7.616 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.494 8.940 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.633 9.713 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.719 10.515 3.241 1.00 0.00 H new ATOM 876 N LYS A 59 1.286 8.656 -1.430 1.00 0.00 N ATOM 877 CA LYS A 59 0.860 7.614 -2.361 1.00 0.00 C ATOM 878 C LYS A 59 1.902 7.399 -3.455 1.00 0.00 C ATOM 879 O LYS A 59 2.384 6.283 -3.659 1.00 0.00 O ATOM 880 CB LYS A 59 -0.472 8.014 -2.999 1.00 0.00 C ATOM 881 CG LYS A 59 -1.131 6.790 -3.641 1.00 0.00 C ATOM 882 CD LYS A 59 -2.213 7.246 -4.627 1.00 0.00 C ATOM 883 CE LYS A 59 -3.186 8.200 -3.925 1.00 0.00 C ATOM 884 NZ LYS A 59 -2.660 9.594 -4.007 1.00 0.00 N ATOM 0 H LYS A 59 0.563 9.340 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 59 0.744 6.683 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.133 8.440 -2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.308 8.786 -3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.382 6.191 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.570 6.155 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.753 7.744 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.753 6.382 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.169 8.143 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.311 7.907 -2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.338 9.899 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.862 9.625 -4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.413 10.230 -4.339 1.00 0.00 H new ATOM 898 N ALA A 60 2.244 8.479 -4.154 1.00 0.00 N ATOM 899 CA ALA A 60 3.229 8.411 -5.230 1.00 0.00 C ATOM 900 C ALA A 60 4.574 7.915 -4.705 1.00 0.00 C ATOM 901 O ALA A 60 5.356 7.320 -5.446 1.00 0.00 O ATOM 902 CB ALA A 60 3.407 9.794 -5.857 1.00 0.00 C ATOM 0 H ALA A 60 1.855 9.408 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 60 2.867 7.709 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.143 9.738 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.454 10.135 -6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.751 10.496 -5.098 1.00 0.00 H new ATOM 908 N GLY A 61 4.832 8.163 -3.422 1.00 0.00 N ATOM 909 CA GLY A 61 6.082 7.738 -2.802 1.00 0.00 C ATOM 910 C GLY A 61 6.158 6.218 -2.745 1.00 0.00 C ATOM 911 O GLY A 61 7.138 5.618 -3.188 1.00 0.00 O ATOM 0 H GLY A 61 4.194 8.654 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.927 8.129 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.154 8.150 -1.795 1.00 0.00 H new ATOM 915 N ILE A 62 5.114 5.603 -2.197 1.00 0.00 N ATOM 916 CA ILE A 62 5.067 4.147 -2.090 1.00 0.00 C ATOM 917 C ILE A 62 5.102 3.516 -3.479 1.00 0.00 C ATOM 918 O ILE A 62 5.933 2.653 -3.753 1.00 0.00 O ATOM 919 CB ILE A 62 3.797 3.686 -1.351 1.00 0.00 C ATOM 920 CG1 ILE A 62 3.162 4.863 -0.595 1.00 0.00 C ATOM 921 CG2 ILE A 62 4.166 2.579 -0.356 1.00 0.00 C ATOM 922 CD1 ILE A 62 2.006 4.363 0.274 1.00 0.00 C ATOM 0 H ILE A 62 4.296 6.084 -1.823 1.00 0.00 H new ATOM 0 HA ILE A 62 5.938 3.825 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 62 3.079 3.308 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.911 5.353 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.800 5.608 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.270 2.249 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.602 1.737 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.889 2.963 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.561 5.204 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.252 3.894 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.380 3.635 0.993 1.00 0.00 H new ATOM 934 N GLU A 63 4.191 3.954 -4.346 1.00 0.00 N ATOM 935 CA GLU A 63 4.116 3.427 -5.709 1.00 0.00 C ATOM 936 C GLU A 63 5.507 3.301 -6.329 1.00 0.00 C ATOM 937 O GLU A 63 5.920 2.212 -6.723 1.00 0.00 O ATOM 938 CB GLU A 63 3.251 4.343 -6.579 1.00 0.00 C ATOM 939 CG GLU A 63 2.902 3.625 -7.889 1.00 0.00 C ATOM 940 CD GLU A 63 2.523 4.636 -8.972 1.00 0.00 C ATOM 941 OE1 GLU A 63 2.075 5.717 -8.624 1.00 0.00 O ATOM 942 OE2 GLU A 63 2.684 4.310 -10.137 1.00 0.00 O ATOM 0 H GLU A 63 3.497 4.670 -4.131 1.00 0.00 H new ATOM 0 HA GLU A 63 3.667 2.435 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.339 4.614 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.784 5.270 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.752 3.029 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.075 2.935 -7.723 1.00 0.00 H new ATOM 949 N ARG A 64 6.217 4.422 -6.416 1.00 0.00 N ATOM 950 CA ARG A 64 7.558 4.430 -6.998 1.00 0.00 C ATOM 951 C ARG A 64 8.455 3.397 -6.317 1.00 0.00 C ATOM 952 O ARG A 64 9.098 2.586 -6.985 1.00 0.00 O ATOM 953 CB ARG A 64 8.178 5.822 -6.859 1.00 0.00 C ATOM 954 CG ARG A 64 7.514 6.780 -7.855 1.00 0.00 C ATOM 955 CD ARG A 64 8.079 8.193 -7.676 1.00 0.00 C ATOM 956 NE ARG A 64 9.529 8.145 -7.519 1.00 0.00 N ATOM 957 CZ ARG A 64 10.161 8.984 -6.705 1.00 0.00 C ATOM 958 NH1 ARG A 64 10.305 8.681 -5.444 1.00 0.00 N ATOM 959 NH2 ARG A 64 10.638 10.107 -7.165 1.00 0.00 N ATOM 0 H ARG A 64 5.890 5.333 -6.093 1.00 0.00 H new ATOM 0 HA ARG A 64 7.473 4.172 -8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.047 6.190 -5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.251 5.774 -7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.688 6.436 -8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.435 6.788 -7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.820 8.807 -8.539 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.628 8.664 -6.803 1.00 0.00 H new ATOM 0 HE ARG A 64 10.067 7.455 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.933 7.802 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.790 9.323 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.526 10.343 -8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.123 10.750 -6.539 1.00 0.00 H new ATOM 973 N ALA A 65 8.492 3.432 -4.987 1.00 0.00 N ATOM 974 CA ALA A 65 9.312 2.492 -4.225 1.00 0.00 C ATOM 975 C ALA A 65 8.910 1.052 -4.539 1.00 0.00 C ATOM 976 O ALA A 65 9.763 0.191 -4.752 1.00 0.00 O ATOM 977 CB ALA A 65 9.155 2.756 -2.724 1.00 0.00 C ATOM 0 H ALA A 65 7.968 4.096 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 65 10.354 2.635 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.770 2.051 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.473 3.774 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.110 2.631 -2.440 1.00 0.00 H new ATOM 983 N LEU A 66 7.601 0.803 -4.563 1.00 0.00 N ATOM 984 CA LEU A 66 7.082 -0.532 -4.849 1.00 0.00 C ATOM 985 C LEU A 66 7.555 -1.018 -6.214 1.00 0.00 C ATOM 986 O LEU A 66 8.123 -2.102 -6.333 1.00 0.00 O ATOM 987 CB LEU A 66 5.551 -0.513 -4.818 1.00 0.00 C ATOM 988 CG LEU A 66 5.066 -0.350 -3.375 1.00 0.00 C ATOM 989 CD1 LEU A 66 3.638 0.198 -3.372 1.00 0.00 C ATOM 990 CD2 LEU A 66 5.096 -1.709 -2.666 1.00 0.00 C ATOM 0 H LEU A 66 6.883 1.506 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 66 7.457 -1.214 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.175 0.305 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.158 -1.437 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 66 5.721 0.346 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.295 0.313 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.619 1.167 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.981 -0.495 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.751 -1.591 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.444 -2.407 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.115 -2.096 -2.664 1.00 0.00 H new ATOM 1002 N HIS A 67 7.308 -0.210 -7.243 1.00 0.00 N ATOM 1003 CA HIS A 67 7.705 -0.563 -8.606 1.00 0.00 C ATOM 1004 C HIS A 67 9.196 -0.884 -8.670 1.00 0.00 C ATOM 1005 O HIS A 67 9.608 -1.825 -9.348 1.00 0.00 O ATOM 1006 CB HIS A 67 7.385 0.593 -9.560 1.00 0.00 C ATOM 1007 CG HIS A 67 5.893 0.773 -9.657 1.00 0.00 C ATOM 1008 ND1 HIS A 67 5.291 1.366 -10.754 1.00 0.00 N ATOM 1009 CD2 HIS A 67 4.869 0.447 -8.799 1.00 0.00 C ATOM 1010 CE1 HIS A 67 3.964 1.381 -10.531 1.00 0.00 C ATOM 1011 NE2 HIS A 67 3.653 0.833 -9.353 1.00 0.00 N ATOM 0 H HIS A 67 6.837 0.691 -7.160 1.00 0.00 H new ATOM 0 HA HIS A 67 7.145 -1.448 -8.907 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.849 1.512 -9.202 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.801 0.389 -10.547 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.991 -0.036 -7.840 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.239 1.787 -11.221 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.724 0.722 -8.947 1.00 0.00 H new ATOM 1019 N GLU A 68 9.996 -0.092 -7.963 1.00 0.00 N ATOM 1020 CA GLU A 68 11.442 -0.291 -7.945 1.00 0.00 C ATOM 1021 C GLU A 68 11.801 -1.626 -7.297 1.00 0.00 C ATOM 1022 O GLU A 68 12.598 -2.395 -7.837 1.00 0.00 O ATOM 1023 CB GLU A 68 12.110 0.848 -7.165 1.00 0.00 C ATOM 1024 CG GLU A 68 13.535 1.070 -7.685 1.00 0.00 C ATOM 1025 CD GLU A 68 14.391 -0.169 -7.426 1.00 0.00 C ATOM 1026 OE1 GLU A 68 14.533 -0.539 -6.271 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.892 -0.731 -8.386 1.00 0.00 O ATOM 0 H GLU A 68 9.670 0.691 -7.397 1.00 0.00 H new ATOM 0 HA GLU A 68 11.800 -0.296 -8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.528 1.763 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.135 0.607 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.510 1.287 -8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.978 1.936 -7.194 1.00 0.00 H new ATOM 1034 N GLU A 69 11.215 -1.885 -6.133 1.00 0.00 N ATOM 1035 CA GLU A 69 11.482 -3.120 -5.402 1.00 0.00 C ATOM 1036 C GLU A 69 10.651 -4.282 -5.942 1.00 0.00 C ATOM 1037 O GLU A 69 10.851 -5.429 -5.543 1.00 0.00 O ATOM 1038 CB GLU A 69 11.159 -2.915 -3.919 1.00 0.00 C ATOM 1039 CG GLU A 69 12.264 -2.080 -3.260 1.00 0.00 C ATOM 1040 CD GLU A 69 13.552 -2.896 -3.128 1.00 0.00 C ATOM 1041 OE1 GLU A 69 13.477 -4.115 -3.178 1.00 0.00 O ATOM 1042 OE2 GLU A 69 14.599 -2.287 -2.977 1.00 0.00 O ATOM 0 H GLU A 69 10.553 -1.258 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 69 12.536 -3.366 -5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.198 -2.413 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.072 -3.880 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.453 -1.185 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.936 -1.746 -2.275 1.00 0.00 H new ATOM 1049 N VAL A 70 9.722 -3.977 -6.846 1.00 0.00 N ATOM 1050 CA VAL A 70 8.858 -5.000 -7.432 1.00 0.00 C ATOM 1051 C VAL A 70 8.384 -4.557 -8.816 1.00 0.00 C ATOM 1052 O VAL A 70 7.215 -4.222 -9.008 1.00 0.00 O ATOM 1053 CB VAL A 70 7.642 -5.252 -6.525 1.00 0.00 C ATOM 1054 CG1 VAL A 70 6.693 -6.257 -7.190 1.00 0.00 C ATOM 1055 CG2 VAL A 70 8.108 -5.816 -5.178 1.00 0.00 C ATOM 0 H VAL A 70 9.548 -3.032 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 70 9.428 -5.924 -7.527 1.00 0.00 H new ATOM 0 HB VAL A 70 7.119 -4.309 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.834 -6.430 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.352 -5.858 -8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.218 -7.198 -7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.243 -5.993 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.637 -6.755 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.775 -5.102 -4.696 1.00 0.00 H new ATOM 1065 N PRO A 71 9.271 -4.547 -9.779 1.00 0.00 N ATOM 1066 CA PRO A 71 8.948 -4.142 -11.174 1.00 0.00 C ATOM 1067 C PRO A 71 8.202 -5.244 -11.925 1.00 0.00 C ATOM 1068 O PRO A 71 8.669 -6.381 -11.999 1.00 0.00 O ATOM 1069 CB PRO A 71 10.318 -3.864 -11.817 1.00 0.00 C ATOM 1070 CG PRO A 71 11.352 -4.116 -10.759 1.00 0.00 C ATOM 1071 CD PRO A 71 10.679 -4.919 -9.649 1.00 0.00 C ATOM 0 HA PRO A 71 8.288 -3.275 -11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.480 -4.513 -12.678 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.375 -2.837 -12.177 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.198 -4.665 -11.172 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.742 -3.175 -10.371 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.827 -5.991 -9.780 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.075 -4.661 -8.667 1.00 0.00 H new ATOM 1079 N GLY A 72 7.042 -4.896 -12.478 1.00 0.00 N ATOM 1080 CA GLY A 72 6.239 -5.863 -13.220 1.00 0.00 C ATOM 1081 C GLY A 72 4.749 -5.686 -12.941 1.00 0.00 C ATOM 1082 O GLY A 72 3.920 -6.412 -13.490 1.00 0.00 O ATOM 0 H GLY A 72 6.640 -3.960 -12.427 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.426 -5.749 -14.288 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.543 -6.874 -12.949 1.00 0.00 H new ATOM 1086 N VAL A 73 4.409 -4.718 -12.090 1.00 0.00 N ATOM 1087 CA VAL A 73 3.013 -4.463 -11.757 1.00 0.00 C ATOM 1088 C VAL A 73 2.242 -4.036 -12.992 1.00 0.00 C ATOM 1089 O VAL A 73 2.811 -3.502 -13.946 1.00 0.00 O ATOM 1090 CB VAL A 73 2.919 -3.377 -10.681 1.00 0.00 C ATOM 1091 CG1 VAL A 73 3.824 -3.740 -9.502 1.00 0.00 C ATOM 1092 CG2 VAL A 73 3.359 -2.031 -11.265 1.00 0.00 C ATOM 0 H VAL A 73 5.077 -4.104 -11.624 1.00 0.00 H new ATOM 0 HA VAL A 73 2.575 -5.384 -11.373 1.00 0.00 H new ATOM 0 HB VAL A 73 1.887 -3.303 -10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.755 -2.965 -8.738 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.508 -4.694 -9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.855 -3.819 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.291 -1.261 -10.496 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.389 -2.105 -11.614 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.711 -1.768 -12.101 1.00 0.00 H new ATOM 1102 N ILE A 74 0.945 -4.297 -12.969 1.00 0.00 N ATOM 1103 CA ILE A 74 0.085 -3.963 -14.089 1.00 0.00 C ATOM 1104 C ILE A 74 -0.616 -2.633 -13.843 1.00 0.00 C ATOM 1105 O ILE A 74 -0.399 -1.663 -14.573 1.00 0.00 O ATOM 1106 CB ILE A 74 -0.956 -5.070 -14.293 1.00 0.00 C ATOM 1107 CG1 ILE A 74 -0.422 -6.412 -13.758 1.00 0.00 C ATOM 1108 CG2 ILE A 74 -1.262 -5.205 -15.782 1.00 0.00 C ATOM 1109 CD1 ILE A 74 0.826 -6.834 -14.545 1.00 0.00 C ATOM 0 H ILE A 74 0.466 -4.740 -12.185 1.00 0.00 H new ATOM 0 HA ILE A 74 0.698 -3.874 -14.986 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.863 -4.809 -13.748 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.180 -6.320 -12.699 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.192 -7.179 -13.843 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.002 -5.991 -15.932 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.654 -4.261 -16.160 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.349 -5.459 -16.320 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.196 -7.784 -14.159 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.571 -6.945 -15.599 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.599 -6.073 -14.437 1.00 0.00 H new ATOM 1121 N GLU A 75 -1.456 -2.592 -12.812 1.00 0.00 N ATOM 1122 CA GLU A 75 -2.183 -1.373 -12.480 1.00 0.00 C ATOM 1123 C GLU A 75 -2.771 -1.464 -11.075 1.00 0.00 C ATOM 1124 O GLU A 75 -3.741 -2.185 -10.842 1.00 0.00 O ATOM 1125 CB GLU A 75 -3.305 -1.137 -13.499 1.00 0.00 C ATOM 1126 CG GLU A 75 -3.606 0.362 -13.590 1.00 0.00 C ATOM 1127 CD GLU A 75 -4.885 0.592 -14.392 1.00 0.00 C ATOM 1128 OE1 GLU A 75 -5.898 0.010 -14.039 1.00 0.00 O ATOM 1129 OE2 GLU A 75 -4.833 1.351 -15.346 1.00 0.00 O ATOM 0 H GLU A 75 -1.648 -3.383 -12.197 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.486 -0.536 -12.512 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.010 -1.519 -14.476 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.201 -1.681 -13.201 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.715 0.781 -12.589 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.772 0.880 -14.064 1.00 0.00 H new ATOM 1136 N VAL A 76 -2.177 -0.719 -10.147 1.00 0.00 N ATOM 1137 CA VAL A 76 -2.642 -0.708 -8.763 1.00 0.00 C ATOM 1138 C VAL A 76 -3.796 0.283 -8.609 1.00 0.00 C ATOM 1139 O VAL A 76 -4.044 1.097 -9.499 1.00 0.00 O ATOM 1140 CB VAL A 76 -1.481 -0.319 -7.836 1.00 0.00 C ATOM 1141 CG1 VAL A 76 -0.991 1.091 -8.183 1.00 0.00 C ATOM 1142 CG2 VAL A 76 -1.940 -0.356 -6.374 1.00 0.00 C ATOM 0 H VAL A 76 -1.374 -0.116 -10.327 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.997 -1.702 -8.492 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.667 -1.030 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.167 1.363 -7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.649 1.113 -9.218 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.808 1.802 -8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.110 -0.079 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.761 0.346 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.276 -1.362 -6.123 1.00 0.00 H new ATOM 1152 N GLU A 77 -4.499 0.206 -7.480 1.00 0.00 N ATOM 1153 CA GLU A 77 -5.626 1.101 -7.230 1.00 0.00 C ATOM 1154 C GLU A 77 -5.689 1.484 -5.759 1.00 0.00 C ATOM 1155 O GLU A 77 -5.673 0.625 -4.879 1.00 0.00 O ATOM 1156 CB GLU A 77 -6.939 0.424 -7.640 1.00 0.00 C ATOM 1157 CG GLU A 77 -7.196 0.656 -9.133 1.00 0.00 C ATOM 1158 CD GLU A 77 -8.236 -0.338 -9.646 1.00 0.00 C ATOM 1159 OE1 GLU A 77 -7.920 -1.516 -9.714 1.00 0.00 O ATOM 1160 OE2 GLU A 77 -9.333 0.093 -9.961 1.00 0.00 O ATOM 0 H GLU A 77 -4.310 -0.460 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.484 2.004 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.889 -0.645 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.765 0.825 -7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.545 1.676 -9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.267 0.543 -9.692 1.00 0.00 H new ATOM 1167 N GLN A 78 -5.762 2.788 -5.512 1.00 0.00 N ATOM 1168 CA GLN A 78 -5.832 3.309 -4.153 1.00 0.00 C ATOM 1169 C GLN A 78 -6.933 4.362 -4.063 1.00 0.00 C ATOM 1170 O GLN A 78 -6.687 5.554 -4.254 1.00 0.00 O ATOM 1171 CB GLN A 78 -4.481 3.930 -3.762 1.00 0.00 C ATOM 1172 CG GLN A 78 -4.222 3.733 -2.263 1.00 0.00 C ATOM 1173 CD GLN A 78 -5.472 4.076 -1.460 1.00 0.00 C ATOM 1174 OE1 GLN A 78 -6.099 3.191 -0.886 1.00 0.00 O ATOM 1175 NE2 GLN A 78 -5.873 5.315 -1.385 1.00 0.00 N ATOM 0 H GLN A 78 -5.774 3.504 -6.238 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.059 2.493 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.680 3.470 -4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.478 4.993 -4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.930 2.701 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.392 4.364 -1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.351 6.050 -1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.709 5.549 -0.849 1.00 0.00 H new ATOM 1184 N VAL A 79 -8.153 3.910 -3.785 1.00 0.00 N ATOM 1185 CA VAL A 79 -9.291 4.825 -3.685 1.00 0.00 C ATOM 1186 C VAL A 79 -9.389 5.423 -2.284 1.00 0.00 C ATOM 1187 O VAL A 79 -8.708 4.983 -1.355 1.00 0.00 O ATOM 1188 CB VAL A 79 -10.596 4.090 -4.026 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -10.496 3.484 -5.428 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -10.850 2.973 -3.005 1.00 0.00 C ATOM 0 H VAL A 79 -8.380 2.928 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.136 5.634 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.422 4.801 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.424 2.963 -5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.328 4.277 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.665 2.779 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.777 2.457 -3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.022 2.264 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.931 3.404 -2.007 1.00 0.00 H new ATOM 1200 N PHE A 80 -10.241 6.438 -2.147 1.00 0.00 N ATOM 1201 CA PHE A 80 -10.433 7.111 -0.865 1.00 0.00 C ATOM 1202 C PHE A 80 -11.600 6.496 -0.097 1.00 0.00 C ATOM 1203 O PHE A 80 -12.240 5.554 -0.566 1.00 0.00 O ATOM 1204 CB PHE A 80 -10.702 8.601 -1.089 1.00 0.00 C ATOM 1205 CG PHE A 80 -9.496 9.249 -1.732 1.00 0.00 C ATOM 1206 CD1 PHE A 80 -9.295 9.139 -3.115 1.00 0.00 C ATOM 1207 CD2 PHE A 80 -8.579 9.960 -0.947 1.00 0.00 C ATOM 1208 CE1 PHE A 80 -8.180 9.739 -3.710 1.00 0.00 C ATOM 1209 CE2 PHE A 80 -7.464 10.559 -1.543 1.00 0.00 C ATOM 1210 CZ PHE A 80 -7.263 10.449 -2.925 1.00 0.00 C ATOM 0 H PHE A 80 -10.808 6.811 -2.908 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.523 6.987 -0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -11.578 8.730 -1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.924 9.087 -0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.001 8.591 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.733 10.046 0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.026 9.655 -4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.757 11.107 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.402 10.911 -3.385 1.00 0.00 H new ATOM 1220 N LEU A 81 -11.870 7.047 1.083 1.00 0.00 N ATOM 1221 CA LEU A 81 -12.962 6.564 1.922 1.00 0.00 C ATOM 1222 C LEU A 81 -14.260 7.281 1.551 1.00 0.00 C ATOM 1223 O LEU A 81 -15.342 6.902 1.994 1.00 0.00 O ATOM 1224 CB LEU A 81 -12.617 6.812 3.399 1.00 0.00 C ATOM 1225 CG LEU A 81 -13.782 6.402 4.312 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -14.175 4.946 4.041 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -13.350 6.544 5.775 1.00 0.00 C ATOM 0 H LEU A 81 -11.348 7.828 1.480 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.099 5.495 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.724 6.248 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.385 7.866 3.550 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.638 7.047 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.002 4.665 4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.481 4.839 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.322 4.296 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.174 6.254 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.492 5.899 5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.076 7.580 5.975 1.00 0.00 H new ATOM 1239 N GLU A 82 -14.138 8.312 0.718 1.00 0.00 N ATOM 1240 CA GLU A 82 -15.302 9.075 0.277 1.00 0.00 C ATOM 1241 C GLU A 82 -15.782 8.563 -1.079 1.00 0.00 C ATOM 1242 O GLU A 82 -16.862 8.926 -1.544 1.00 0.00 O ATOM 1243 CB GLU A 82 -14.945 10.561 0.178 1.00 0.00 C ATOM 1244 CG GLU A 82 -14.911 11.171 1.586 1.00 0.00 C ATOM 1245 CD GLU A 82 -14.471 12.637 1.537 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -13.941 13.053 0.518 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -14.666 13.322 2.528 1.00 0.00 O ATOM 0 H GLU A 82 -13.249 8.637 0.337 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.103 8.949 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.976 10.682 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.677 11.082 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.899 11.099 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.227 10.603 2.216 1.00 0.00 H new ATOM 1254 N HIS A 83 -14.968 7.712 -1.701 1.00 0.00 N ATOM 1255 CA HIS A 83 -15.306 7.141 -3.001 1.00 0.00 C ATOM 1256 C HIS A 83 -15.776 5.697 -2.836 1.00 0.00 C ATOM 1257 O HIS A 83 -15.030 4.756 -3.111 1.00 0.00 O ATOM 1258 CB HIS A 83 -14.082 7.188 -3.925 1.00 0.00 C ATOM 1259 CG HIS A 83 -14.486 6.809 -5.326 1.00 0.00 C ATOM 1260 ND1 HIS A 83 -15.504 7.462 -6.005 1.00 0.00 N ATOM 1261 CD2 HIS A 83 -14.016 5.850 -6.190 1.00 0.00 C ATOM 1262 CE1 HIS A 83 -15.611 6.893 -7.220 1.00 0.00 C ATOM 1263 NE2 HIS A 83 -14.728 5.905 -7.385 1.00 0.00 N ATOM 0 H HIS A 83 -14.071 7.404 -1.325 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.112 7.726 -3.444 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.649 8.188 -3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -13.314 6.506 -3.561 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -13.215 5.158 -5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -16.325 7.199 -7.971 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.602 5.317 -8.209 1.00 0.00 H new ATOM 1271 N HIS A 84 -17.018 5.529 -2.386 1.00 0.00 N ATOM 1272 CA HIS A 84 -17.577 4.193 -2.191 1.00 0.00 C ATOM 1273 C HIS A 84 -17.550 3.418 -3.505 1.00 0.00 C ATOM 1274 O HIS A 84 -17.513 4.013 -4.583 1.00 0.00 O ATOM 1275 CB HIS A 84 -19.021 4.290 -1.686 1.00 0.00 C ATOM 1276 CG HIS A 84 -19.069 5.022 -0.367 1.00 0.00 C ATOM 1277 ND1 HIS A 84 -17.968 5.680 0.165 1.00 0.00 N ATOM 1278 CD2 HIS A 84 -20.086 5.207 0.537 1.00 0.00 C ATOM 1279 CE1 HIS A 84 -18.347 6.222 1.337 1.00 0.00 C ATOM 1280 NE2 HIS A 84 -19.628 5.963 1.611 1.00 0.00 N ATOM 0 H HIS A 84 -17.651 6.293 -2.151 1.00 0.00 H new ATOM 0 HA HIS A 84 -16.973 3.670 -1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.636 4.810 -2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -19.440 3.291 -1.570 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -21.090 4.823 0.430 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -17.695 6.796 1.978 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -20.157 6.257 2.432 1.00 0.00 H new ATOM 1288 N HIS A 85 -17.567 2.090 -3.412 1.00 0.00 N ATOM 1289 CA HIS A 85 -17.538 1.252 -4.609 1.00 0.00 C ATOM 1290 C HIS A 85 -18.752 0.330 -4.660 1.00 0.00 C ATOM 1291 O HIS A 85 -19.161 -0.099 -5.738 1.00 0.00 O ATOM 1292 CB HIS A 85 -16.254 0.417 -4.646 1.00 0.00 C ATOM 1293 CG HIS A 85 -15.995 -0.188 -3.292 1.00 0.00 C ATOM 1294 ND1 HIS A 85 -16.733 -1.254 -2.800 1.00 0.00 N ATOM 1295 CD2 HIS A 85 -15.074 0.109 -2.317 1.00 0.00 C ATOM 1296 CE1 HIS A 85 -16.250 -1.555 -1.582 1.00 0.00 C ATOM 1297 NE2 HIS A 85 -15.237 -0.753 -1.239 1.00 0.00 N ATOM 0 H HIS A 85 -17.600 1.576 -2.532 1.00 0.00 H new ATOM 0 HA HIS A 85 -17.563 1.909 -5.478 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -16.344 -0.370 -5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.412 1.043 -4.941 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -14.335 0.894 -2.379 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -16.634 -2.348 -0.957 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -14.699 -0.770 -0.372 1.00 0.00 H new ATOM 1305 N HIS A 86 -19.322 0.032 -3.493 1.00 0.00 N ATOM 1306 CA HIS A 86 -20.490 -0.844 -3.422 1.00 0.00 C ATOM 1307 C HIS A 86 -20.221 -2.156 -4.163 1.00 0.00 C ATOM 1308 O HIS A 86 -19.681 -3.101 -3.586 1.00 0.00 O ATOM 1309 CB HIS A 86 -21.712 -0.132 -4.024 1.00 0.00 C ATOM 1310 CG HIS A 86 -22.893 -1.068 -4.039 1.00 0.00 C ATOM 1311 ND1 HIS A 86 -23.822 -1.073 -5.069 1.00 0.00 N ATOM 1312 CD2 HIS A 86 -23.305 -2.039 -3.159 1.00 0.00 C ATOM 1313 CE1 HIS A 86 -24.736 -2.019 -4.787 1.00 0.00 C ATOM 1314 NE2 HIS A 86 -24.468 -2.638 -3.634 1.00 0.00 N ATOM 0 H HIS A 86 -18.997 0.381 -2.591 1.00 0.00 H new ATOM 0 HA HIS A 86 -20.693 -1.076 -2.377 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -21.949 0.758 -3.441 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -21.488 0.201 -5.037 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -22.803 -2.298 -2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -25.583 -2.250 -5.416 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -25.001 -3.389 -3.196 1.00 0.00 H new ATOM 1322 N HIS A 87 -20.592 -2.199 -5.443 1.00 0.00 N ATOM 1323 CA HIS A 87 -20.387 -3.391 -6.263 1.00 0.00 C ATOM 1324 C HIS A 87 -20.945 -4.634 -5.567 1.00 0.00 C ATOM 1325 O HIS A 87 -22.146 -4.715 -5.301 1.00 0.00 O ATOM 1326 CB HIS A 87 -18.890 -3.573 -6.555 1.00 0.00 C ATOM 1327 CG HIS A 87 -18.389 -2.416 -7.380 1.00 0.00 C ATOM 1328 ND1 HIS A 87 -19.220 -1.688 -8.219 1.00 0.00 N ATOM 1329 CD2 HIS A 87 -17.144 -1.851 -7.505 1.00 0.00 C ATOM 1330 CE1 HIS A 87 -18.470 -0.736 -8.806 1.00 0.00 C ATOM 1331 NE2 HIS A 87 -17.197 -0.791 -8.405 1.00 0.00 N ATOM 0 H HIS A 87 -21.036 -1.422 -5.933 1.00 0.00 H new ATOM 0 HA HIS A 87 -20.922 -3.260 -7.204 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -18.332 -3.634 -5.621 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -18.725 -4.510 -7.087 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.257 -2.180 -6.983 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -18.851 -0.016 -9.515 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -16.429 -0.186 -8.696 1.00 0.00 H new ATOM 1339 N HIS A 88 -20.072 -5.598 -5.276 1.00 0.00 N ATOM 1340 CA HIS A 88 -20.495 -6.828 -4.613 1.00 0.00 C ATOM 1341 C HIS A 88 -21.043 -6.531 -3.217 1.00 0.00 C ATOM 1342 O HIS A 88 -20.473 -5.690 -2.541 1.00 0.00 O ATOM 1343 CB HIS A 88 -19.322 -7.815 -4.517 1.00 0.00 C ATOM 1344 CG HIS A 88 -18.178 -7.208 -3.744 1.00 0.00 C ATOM 1345 ND1 HIS A 88 -17.926 -5.844 -3.722 1.00 0.00 N ATOM 1346 CD2 HIS A 88 -17.208 -7.779 -2.957 1.00 0.00 C ATOM 1347 CE1 HIS A 88 -16.846 -5.643 -2.943 1.00 0.00 C ATOM 1348 NE2 HIS A 88 -16.370 -6.790 -2.453 1.00 0.00 N ATOM 1349 OXT HIS A 88 -22.028 -7.147 -2.847 1.00 0.00 O ATOM 0 H HIS A 88 -19.075 -5.551 -5.488 1.00 0.00 H new ATOM 0 HA HIS A 88 -21.289 -7.278 -5.209 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -19.651 -8.733 -4.029 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -18.987 -8.088 -5.518 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -17.111 -8.836 -2.759 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -16.417 -4.673 -2.740 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -15.564 -6.914 -1.840 1.00 0.00 H new TER 1357 HIS A 88