USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 592 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 44 CYS SG : rot 180:sc= 1.08 USER MOD Set 1.2: A 67 SER OG : rot 149:sc= 1.31 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.52! C(o=-5.5!,f=-3.7!) USER MOD Single : A 49 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.11) USER MOD Single : A 50 CYS SG : rot 84:sc= -0.321 USER MOD Single : A 51 MET CE :methyl 172:sc= -3.07! (180deg=-3.08!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 171:sc= -0.0357 (180deg=-0.0892) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -178:sc= -0.0175 (180deg=-0.0256) USER MOD Single : A 59 THR OG1 : rot -36:sc= 0.307 USER MOD Single : A 61 MET CE :methyl -163:sc= -0.729 (180deg=-1.1) USER MOD Single : A 68 GLN : amide:sc= -1.97! C(o=-2!,f=-1.9!) USER MOD Single : A 69 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.4) USER MOD Single : A 71 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.65) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.446 K(o=-0.45,f=-1.6) USER MOD Single : A 77 HIS : no HD1:sc= -0.0397 X(o=-0.04,f=-0.037) USER MOD Single : A 87 MET CE :methyl -141:sc= -3.15 (180deg=-5.77!) USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= 0.297 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -21.011 -3.552 -20.414 1.00 0.00 N ATOM 2 CA ASP A 16 -20.407 -2.258 -20.014 1.00 0.00 C ATOM 3 C ASP A 16 -19.000 -2.466 -19.456 1.00 0.00 C ATOM 4 O ASP A 16 -18.721 -2.113 -18.328 1.00 0.00 O ATOM 5 CB ASP A 16 -21.288 -1.630 -18.922 1.00 0.00 C ATOM 6 CG ASP A 16 -21.312 -2.547 -17.700 1.00 0.00 C ATOM 7 OD1 ASP A 16 -21.108 -3.732 -17.907 1.00 0.00 O ATOM 8 OD2 ASP A 16 -21.532 -2.012 -16.625 1.00 0.00 O ATOM 0 HA ASP A 16 -20.343 -1.608 -20.887 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.901 -0.649 -18.647 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -22.300 -1.480 -19.298 1.00 0.00 H new ATOM 13 N ARG A 17 -18.144 -3.041 -20.266 1.00 0.00 N ATOM 14 CA ARG A 17 -16.744 -3.288 -19.817 1.00 0.00 C ATOM 15 C ARG A 17 -16.708 -4.118 -18.531 1.00 0.00 C ATOM 16 O ARG A 17 -17.734 -4.398 -17.944 1.00 0.00 O ATOM 17 CB ARG A 17 -16.068 -1.929 -19.558 1.00 0.00 C ATOM 18 CG ARG A 17 -15.294 -1.507 -20.810 1.00 0.00 C ATOM 19 CD ARG A 17 -16.284 -1.055 -21.889 1.00 0.00 C ATOM 20 NE ARG A 17 -15.862 0.277 -22.408 1.00 0.00 N ATOM 21 CZ ARG A 17 -15.951 0.525 -23.687 1.00 0.00 C ATOM 22 NH1 ARG A 17 -15.721 -0.440 -24.536 1.00 0.00 N ATOM 23 NH2 ARG A 17 -16.270 1.730 -24.076 1.00 0.00 N ATOM 0 H ARG A 17 -18.356 -3.348 -21.215 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.220 -3.844 -20.594 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.817 -1.178 -19.308 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.393 -2.001 -18.705 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.605 -0.697 -20.570 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.693 -2.339 -21.177 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.315 -1.782 -22.700 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.291 -0.996 -21.475 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.507 0.989 -21.770 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.476 -1.370 -24.197 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.786 -0.264 -25.539 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.445 2.459 -23.385 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.344 1.942 -25.071 1.00 0.00 H new ATOM 37 N SER A 18 -15.513 -4.498 -18.124 1.00 0.00 N ATOM 38 CA SER A 18 -15.368 -5.314 -16.879 1.00 0.00 C ATOM 39 C SER A 18 -14.637 -4.528 -15.790 1.00 0.00 C ATOM 40 O SER A 18 -14.850 -3.343 -15.629 1.00 0.00 O ATOM 41 CB SER A 18 -14.542 -6.565 -17.219 1.00 0.00 C ATOM 42 OG SER A 18 -15.161 -7.084 -18.387 1.00 0.00 O ATOM 0 H SER A 18 -14.639 -4.277 -18.601 1.00 0.00 H new ATOM 0 HA SER A 18 -16.359 -5.579 -16.511 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.497 -6.315 -17.400 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.560 -7.288 -16.404 1.00 0.00 H new ATOM 0 HG SER A 18 -14.689 -7.893 -18.676 1.00 0.00 H new ATOM 48 N LEU A 19 -13.788 -5.209 -15.056 1.00 0.00 N ATOM 49 CA LEU A 19 -13.038 -4.513 -13.974 1.00 0.00 C ATOM 50 C LEU A 19 -11.986 -3.585 -14.556 1.00 0.00 C ATOM 51 O LEU A 19 -10.811 -3.899 -14.549 1.00 0.00 O ATOM 52 CB LEU A 19 -12.326 -5.568 -13.110 1.00 0.00 C ATOM 53 CG LEU A 19 -13.310 -6.127 -12.074 1.00 0.00 C ATOM 54 CD1 LEU A 19 -14.154 -7.227 -12.721 1.00 0.00 C ATOM 55 CD2 LEU A 19 -12.528 -6.720 -10.900 1.00 0.00 C ATOM 0 H LEU A 19 -13.587 -6.204 -15.161 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.742 -3.928 -13.382 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.947 -6.373 -13.739 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.466 -5.123 -12.608 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.958 -5.326 -11.717 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.855 -7.627 -11.988 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.708 -6.813 -13.564 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.502 -8.026 -13.073 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.225 -7.118 -10.162 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.884 -7.522 -11.260 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.917 -5.943 -10.440 1.00 0.00 H new ATOM 67 N ARG A 20 -12.432 -2.457 -15.049 1.00 0.00 N ATOM 68 CA ARG A 20 -11.481 -1.476 -15.644 1.00 0.00 C ATOM 69 C ARG A 20 -11.415 -0.170 -14.838 1.00 0.00 C ATOM 70 O ARG A 20 -10.395 0.468 -14.785 1.00 0.00 O ATOM 71 CB ARG A 20 -11.961 -1.146 -17.069 1.00 0.00 C ATOM 72 CG ARG A 20 -10.778 -1.230 -18.044 1.00 0.00 C ATOM 73 CD ARG A 20 -9.981 0.075 -17.980 1.00 0.00 C ATOM 74 NE ARG A 20 -10.211 0.842 -19.236 1.00 0.00 N ATOM 75 CZ ARG A 20 -9.219 1.034 -20.063 1.00 0.00 C ATOM 76 NH1 ARG A 20 -8.524 0.006 -20.468 1.00 0.00 N ATOM 77 NH2 ARG A 20 -8.959 2.250 -20.460 1.00 0.00 N ATOM 0 H ARG A 20 -13.412 -2.176 -15.064 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.486 -1.922 -15.642 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.744 -1.842 -17.370 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.396 -0.147 -17.095 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.138 -2.074 -17.787 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.138 -1.401 -19.058 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.290 0.664 -17.117 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.919 -0.137 -17.857 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.137 1.214 -19.448 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.759 -0.930 -20.138 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.746 0.139 -21.114 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.526 3.028 -20.124 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.188 2.422 -21.106 1.00 0.00 H new ATOM 91 N PRO A 21 -12.517 0.223 -14.255 1.00 0.00 N ATOM 92 CA PRO A 21 -12.552 1.449 -13.469 1.00 0.00 C ATOM 93 C PRO A 21 -11.999 1.248 -12.050 1.00 0.00 C ATOM 94 O PRO A 21 -10.811 1.370 -11.829 1.00 0.00 O ATOM 95 CB PRO A 21 -14.055 1.814 -13.409 1.00 0.00 C ATOM 96 CG PRO A 21 -14.844 0.579 -13.955 1.00 0.00 C ATOM 97 CD PRO A 21 -13.800 -0.461 -14.405 1.00 0.00 C ATOM 0 HA PRO A 21 -11.932 2.227 -13.915 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -14.356 2.044 -12.387 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -14.262 2.700 -14.009 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.493 0.165 -13.184 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.484 0.868 -14.789 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.845 -1.360 -13.791 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.967 -0.771 -15.437 1.00 0.00 H new ATOM 105 N GLU A 22 -12.870 0.940 -11.124 1.00 0.00 N ATOM 106 CA GLU A 22 -12.423 0.729 -9.717 1.00 0.00 C ATOM 107 C GLU A 22 -11.096 -0.010 -9.646 1.00 0.00 C ATOM 108 O GLU A 22 -10.330 0.178 -8.724 1.00 0.00 O ATOM 109 CB GLU A 22 -13.489 -0.116 -9.000 1.00 0.00 C ATOM 110 CG GLU A 22 -13.572 -1.491 -9.671 1.00 0.00 C ATOM 111 CD GLU A 22 -14.505 -2.394 -8.864 1.00 0.00 C ATOM 112 OE1 GLU A 22 -15.697 -2.151 -8.943 1.00 0.00 O ATOM 113 OE2 GLU A 22 -13.972 -3.278 -8.213 1.00 0.00 O ATOM 0 H GLU A 22 -13.871 0.826 -11.282 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.292 1.704 -9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.235 -0.227 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.457 0.383 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.940 -1.388 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.580 -1.938 -9.734 1.00 0.00 H new ATOM 120 N GLU A 23 -10.842 -0.830 -10.614 1.00 0.00 N ATOM 121 CA GLU A 23 -9.566 -1.581 -10.601 1.00 0.00 C ATOM 122 C GLU A 23 -8.395 -0.696 -11.009 1.00 0.00 C ATOM 123 O GLU A 23 -7.399 -0.616 -10.305 1.00 0.00 O ATOM 124 CB GLU A 23 -9.686 -2.751 -11.591 1.00 0.00 C ATOM 125 CG GLU A 23 -8.571 -3.761 -11.320 1.00 0.00 C ATOM 126 CD GLU A 23 -8.782 -4.394 -9.943 1.00 0.00 C ATOM 127 OE1 GLU A 23 -9.764 -5.107 -9.820 1.00 0.00 O ATOM 128 OE2 GLU A 23 -7.949 -4.128 -9.094 1.00 0.00 O ATOM 0 H GLU A 23 -11.455 -1.013 -11.408 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.378 -1.940 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.659 -3.231 -11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.618 -2.384 -12.615 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.569 -4.532 -12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.600 -3.267 -11.360 1.00 0.00 H new ATOM 135 N ILE A 24 -8.527 -0.031 -12.122 1.00 0.00 N ATOM 136 CA ILE A 24 -7.420 0.840 -12.558 1.00 0.00 C ATOM 137 C ILE A 24 -7.373 2.081 -11.696 1.00 0.00 C ATOM 138 O ILE A 24 -6.391 2.798 -11.678 1.00 0.00 O ATOM 139 CB ILE A 24 -7.659 1.225 -14.007 1.00 0.00 C ATOM 140 CG1 ILE A 24 -7.765 -0.049 -14.857 1.00 0.00 C ATOM 141 CG2 ILE A 24 -6.477 2.079 -14.504 1.00 0.00 C ATOM 142 CD1 ILE A 24 -6.406 -0.765 -14.937 1.00 0.00 C ATOM 0 H ILE A 24 -9.342 -0.056 -12.735 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.469 0.316 -12.462 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.583 1.797 -14.091 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.509 -0.719 -14.426 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.107 0.205 -15.860 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.642 2.359 -15.544 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.397 2.979 -13.894 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.554 1.504 -14.425 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.504 -1.665 -15.544 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.671 -0.100 -15.390 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.079 -1.038 -13.934 1.00 0.00 H new ATOM 154 N GLU A 25 -8.444 2.314 -10.990 1.00 0.00 N ATOM 155 CA GLU A 25 -8.488 3.500 -10.116 1.00 0.00 C ATOM 156 C GLU A 25 -7.672 3.251 -8.863 1.00 0.00 C ATOM 157 O GLU A 25 -6.896 4.088 -8.447 1.00 0.00 O ATOM 158 CB GLU A 25 -9.949 3.760 -9.713 1.00 0.00 C ATOM 159 CG GLU A 25 -10.264 5.245 -9.886 1.00 0.00 C ATOM 160 CD GLU A 25 -10.742 5.496 -11.317 1.00 0.00 C ATOM 161 OE1 GLU A 25 -11.916 5.258 -11.546 1.00 0.00 O ATOM 162 OE2 GLU A 25 -9.904 5.911 -12.101 1.00 0.00 O ATOM 0 H GLU A 25 -9.282 1.733 -10.985 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.078 4.358 -10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.620 3.160 -10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.112 3.460 -8.678 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.031 5.551 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.378 5.844 -9.676 1.00 0.00 H new ATOM 169 N GLU A 26 -7.858 2.095 -8.276 1.00 0.00 N ATOM 170 CA GLU A 26 -7.093 1.787 -7.051 1.00 0.00 C ATOM 171 C GLU A 26 -5.610 1.771 -7.363 1.00 0.00 C ATOM 172 O GLU A 26 -4.799 2.206 -6.568 1.00 0.00 O ATOM 173 CB GLU A 26 -7.519 0.404 -6.540 1.00 0.00 C ATOM 174 CG GLU A 26 -6.740 0.082 -5.266 1.00 0.00 C ATOM 175 CD GLU A 26 -7.170 1.042 -4.154 1.00 0.00 C ATOM 176 OE1 GLU A 26 -8.369 1.240 -4.042 1.00 0.00 O ATOM 177 OE2 GLU A 26 -6.275 1.524 -3.480 1.00 0.00 O ATOM 0 H GLU A 26 -8.499 1.367 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.290 2.545 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.590 0.390 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.327 -0.353 -7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.925 -0.949 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.669 0.174 -5.448 1.00 0.00 H new ATOM 184 N LEU A 27 -5.273 1.266 -8.520 1.00 0.00 N ATOM 185 CA LEU A 27 -3.841 1.220 -8.896 1.00 0.00 C ATOM 186 C LEU A 27 -3.260 2.619 -8.903 1.00 0.00 C ATOM 187 O LEU A 27 -2.275 2.895 -8.248 1.00 0.00 O ATOM 188 CB LEU A 27 -3.730 0.655 -10.315 1.00 0.00 C ATOM 189 CG LEU A 27 -3.606 -0.862 -10.257 1.00 0.00 C ATOM 190 CD1 LEU A 27 -3.861 -1.423 -11.652 1.00 0.00 C ATOM 191 CD2 LEU A 27 -2.190 -1.239 -9.813 1.00 0.00 C ATOM 0 H LEU A 27 -5.923 0.889 -9.210 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.301 0.601 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.607 0.935 -10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.863 1.081 -10.819 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.328 -1.270 -9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.776 -2.509 -11.628 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.863 -1.144 -11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.127 -1.017 -12.347 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.099 -2.324 -9.771 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.467 -0.842 -10.526 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.994 -0.820 -8.826 1.00 0.00 H new ATOM 203 N ARG A 28 -3.889 3.481 -9.651 1.00 0.00 N ATOM 204 CA ARG A 28 -3.401 4.878 -9.729 1.00 0.00 C ATOM 205 C ARG A 28 -3.109 5.440 -8.348 1.00 0.00 C ATOM 206 O ARG A 28 -2.078 6.038 -8.129 1.00 0.00 O ATOM 207 CB ARG A 28 -4.492 5.735 -10.390 1.00 0.00 C ATOM 208 CG ARG A 28 -3.905 7.103 -10.766 1.00 0.00 C ATOM 209 CD ARG A 28 -3.186 7.005 -12.118 1.00 0.00 C ATOM 210 NE ARG A 28 -3.144 8.359 -12.743 1.00 0.00 N ATOM 211 CZ ARG A 28 -2.075 9.095 -12.610 1.00 0.00 C ATOM 212 NH1 ARG A 28 -1.057 8.874 -13.395 1.00 0.00 N ATOM 213 NH2 ARG A 28 -2.060 10.026 -11.697 1.00 0.00 N ATOM 0 H ARG A 28 -4.718 3.276 -10.209 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.478 4.895 -10.308 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.875 5.234 -11.279 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.333 5.862 -9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.699 7.848 -10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.208 7.434 -9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.175 6.622 -11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.706 6.304 -12.771 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.945 8.707 -13.270 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.106 8.136 -14.098 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.212 9.439 -13.306 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.875 10.169 -11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.233 10.611 -11.579 1.00 0.00 H new ATOM 227 N GLU A 29 -4.015 5.234 -7.434 1.00 0.00 N ATOM 228 CA GLU A 29 -3.787 5.761 -6.065 1.00 0.00 C ATOM 229 C GLU A 29 -2.542 5.140 -5.448 1.00 0.00 C ATOM 230 O GLU A 29 -1.801 5.801 -4.753 1.00 0.00 O ATOM 231 CB GLU A 29 -5.006 5.417 -5.193 1.00 0.00 C ATOM 232 CG GLU A 29 -5.743 6.710 -4.819 1.00 0.00 C ATOM 233 CD GLU A 29 -6.656 6.445 -3.620 1.00 0.00 C ATOM 234 OE1 GLU A 29 -7.229 5.369 -3.602 1.00 0.00 O ATOM 235 OE2 GLU A 29 -6.730 7.337 -2.789 1.00 0.00 O ATOM 0 H GLU A 29 -4.891 4.731 -7.574 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.647 6.841 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.675 4.746 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.687 4.893 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.025 7.494 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.330 7.065 -5.666 1.00 0.00 H new ATOM 242 N ALA A 30 -2.335 3.881 -5.704 1.00 0.00 N ATOM 243 CA ALA A 30 -1.140 3.218 -5.131 1.00 0.00 C ATOM 244 C ALA A 30 0.132 3.779 -5.761 1.00 0.00 C ATOM 245 O ALA A 30 1.061 4.153 -5.066 1.00 0.00 O ATOM 246 CB ALA A 30 -1.227 1.713 -5.425 1.00 0.00 C ATOM 0 H ALA A 30 -2.935 3.290 -6.279 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.108 3.397 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.354 1.210 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.131 1.305 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.258 1.554 -6.503 1.00 0.00 H new ATOM 252 N PHE A 31 0.155 3.833 -7.069 1.00 0.00 N ATOM 253 CA PHE A 31 1.359 4.369 -7.749 1.00 0.00 C ATOM 254 C PHE A 31 1.603 5.791 -7.313 1.00 0.00 C ATOM 255 O PHE A 31 2.728 6.232 -7.205 1.00 0.00 O ATOM 256 CB PHE A 31 1.099 4.375 -9.268 1.00 0.00 C ATOM 257 CG PHE A 31 2.385 4.756 -10.018 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.869 6.055 -9.994 1.00 0.00 C ATOM 259 CD2 PHE A 31 3.067 3.805 -10.744 1.00 0.00 C ATOM 260 CE1 PHE A 31 4.018 6.381 -10.688 1.00 0.00 C ATOM 261 CE2 PHE A 31 4.211 4.133 -11.434 1.00 0.00 C ATOM 262 CZ PHE A 31 4.686 5.417 -11.407 1.00 0.00 C ATOM 0 H PHE A 31 -0.601 3.532 -7.684 1.00 0.00 H new ATOM 0 HA PHE A 31 2.222 3.752 -7.498 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.757 3.392 -9.591 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.305 5.083 -9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.346 6.814 -9.431 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.699 2.790 -10.772 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.392 7.394 -10.666 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.736 3.376 -11.998 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.584 5.673 -11.950 1.00 0.00 H new ATOM 272 N ARG A 32 0.534 6.479 -7.046 1.00 0.00 N ATOM 273 CA ARG A 32 0.676 7.896 -6.609 1.00 0.00 C ATOM 274 C ARG A 32 0.854 7.997 -5.104 1.00 0.00 C ATOM 275 O ARG A 32 1.659 8.775 -4.632 1.00 0.00 O ATOM 276 CB ARG A 32 -0.569 8.700 -7.082 1.00 0.00 C ATOM 277 CG ARG A 32 -1.557 8.975 -5.923 1.00 0.00 C ATOM 278 CD ARG A 32 -1.138 10.241 -5.151 1.00 0.00 C ATOM 279 NE ARG A 32 -0.699 11.288 -6.117 1.00 0.00 N ATOM 280 CZ ARG A 32 0.128 12.215 -5.726 1.00 0.00 C ATOM 281 NH1 ARG A 32 1.314 11.868 -5.309 1.00 0.00 N ATOM 282 NH2 ARG A 32 -0.259 13.461 -5.768 1.00 0.00 N ATOM 0 H ARG A 32 -0.422 6.130 -7.109 1.00 0.00 H new ATOM 0 HA ARG A 32 1.572 8.320 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.246 9.647 -7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.080 8.147 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.565 9.099 -6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.582 8.120 -5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.972 10.609 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.329 10.007 -4.459 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.044 11.278 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.581 10.884 -5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.974 12.581 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.194 13.694 -6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.374 14.202 -5.466 1.00 0.00 H new ATOM 296 N GLU A 33 0.120 7.214 -4.367 1.00 0.00 N ATOM 297 CA GLU A 33 0.271 7.285 -2.904 1.00 0.00 C ATOM 298 C GLU A 33 1.733 7.109 -2.568 1.00 0.00 C ATOM 299 O GLU A 33 2.198 7.520 -1.523 1.00 0.00 O ATOM 300 CB GLU A 33 -0.539 6.145 -2.262 1.00 0.00 C ATOM 301 CG GLU A 33 -0.287 6.140 -0.752 1.00 0.00 C ATOM 302 CD GLU A 33 -0.596 7.527 -0.184 1.00 0.00 C ATOM 303 OE1 GLU A 33 -1.521 8.130 -0.702 1.00 0.00 O ATOM 304 OE2 GLU A 33 0.110 7.904 0.738 1.00 0.00 O ATOM 0 H GLU A 33 -0.564 6.542 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.088 8.244 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.602 6.278 -2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.249 5.188 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.913 5.389 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.749 5.872 -0.545 1.00 0.00 H new ATOM 311 N PHE A 34 2.433 6.488 -3.486 1.00 0.00 N ATOM 312 CA PHE A 34 3.874 6.249 -3.288 1.00 0.00 C ATOM 313 C PHE A 34 4.710 7.256 -4.083 1.00 0.00 C ATOM 314 O PHE A 34 5.826 7.561 -3.717 1.00 0.00 O ATOM 315 CB PHE A 34 4.197 4.836 -3.807 1.00 0.00 C ATOM 316 CG PHE A 34 3.909 3.799 -2.714 1.00 0.00 C ATOM 317 CD1 PHE A 34 2.835 3.954 -1.852 1.00 0.00 C ATOM 318 CD2 PHE A 34 4.715 2.680 -2.584 1.00 0.00 C ATOM 319 CE1 PHE A 34 2.575 3.010 -0.880 1.00 0.00 C ATOM 320 CE2 PHE A 34 4.451 1.738 -1.612 1.00 0.00 C ATOM 321 CZ PHE A 34 3.381 1.903 -0.761 1.00 0.00 C ATOM 0 H PHE A 34 2.054 6.139 -4.366 1.00 0.00 H new ATOM 0 HA PHE A 34 4.111 6.354 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.600 4.619 -4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.243 4.780 -4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.197 4.820 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.556 2.544 -3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.737 3.141 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.085 0.869 -1.518 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.175 1.164 -0.001 1.00 0.00 H new ATOM 331 N ASP A 35 4.153 7.758 -5.165 1.00 0.00 N ATOM 332 CA ASP A 35 4.905 8.734 -5.981 1.00 0.00 C ATOM 333 C ASP A 35 5.294 9.947 -5.165 1.00 0.00 C ATOM 334 O ASP A 35 4.555 10.903 -5.059 1.00 0.00 O ATOM 335 CB ASP A 35 4.029 9.190 -7.149 1.00 0.00 C ATOM 336 CG ASP A 35 4.855 10.091 -8.075 1.00 0.00 C ATOM 337 OD1 ASP A 35 5.839 10.621 -7.583 1.00 0.00 O ATOM 338 OD2 ASP A 35 4.458 10.197 -9.221 1.00 0.00 O ATOM 0 H ASP A 35 3.219 7.529 -5.505 1.00 0.00 H new ATOM 0 HA ASP A 35 5.813 8.250 -6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.657 8.326 -7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.158 9.730 -6.777 1.00 0.00 H new ATOM 343 N LYS A 36 6.448 9.871 -4.603 1.00 0.00 N ATOM 344 CA LYS A 36 6.958 10.977 -3.782 1.00 0.00 C ATOM 345 C LYS A 36 8.455 10.853 -3.735 1.00 0.00 C ATOM 346 O LYS A 36 9.151 11.672 -3.166 1.00 0.00 O ATOM 347 CB LYS A 36 6.386 10.858 -2.361 1.00 0.00 C ATOM 348 CG LYS A 36 7.135 9.767 -1.606 1.00 0.00 C ATOM 349 CD LYS A 36 6.150 9.040 -0.695 1.00 0.00 C ATOM 350 CE LYS A 36 5.718 9.986 0.429 1.00 0.00 C ATOM 351 NZ LYS A 36 6.175 9.472 1.746 1.00 0.00 N ATOM 0 H LYS A 36 7.075 9.070 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 36 6.666 11.940 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.481 11.809 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.323 10.622 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.590 9.067 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.944 10.201 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.281 8.712 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.613 8.146 -0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.132 10.979 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.633 10.089 0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.874 10.125 2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.759 8.534 1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.212 9.397 1.748 1.00 0.00 H new ATOM 365 N ASP A 37 8.918 9.800 -4.352 1.00 0.00 N ATOM 366 CA ASP A 37 10.375 9.544 -4.394 1.00 0.00 C ATOM 367 C ASP A 37 11.012 10.380 -5.490 1.00 0.00 C ATOM 368 O ASP A 37 11.623 11.397 -5.225 1.00 0.00 O ATOM 369 CB ASP A 37 10.575 8.068 -4.731 1.00 0.00 C ATOM 370 CG ASP A 37 9.562 7.674 -5.809 1.00 0.00 C ATOM 371 OD1 ASP A 37 8.993 8.599 -6.381 1.00 0.00 O ATOM 372 OD2 ASP A 37 9.409 6.479 -5.998 1.00 0.00 O ATOM 0 H ASP A 37 8.342 9.106 -4.829 1.00 0.00 H new ATOM 0 HA ASP A 37 10.830 9.799 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.591 7.895 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.438 7.454 -3.841 1.00 0.00 H new ATOM 377 N LYS A 38 10.859 9.931 -6.713 1.00 0.00 N ATOM 378 CA LYS A 38 11.444 10.687 -7.843 1.00 0.00 C ATOM 379 C LYS A 38 10.502 11.795 -8.236 1.00 0.00 C ATOM 380 O LYS A 38 10.667 12.913 -7.815 1.00 0.00 O ATOM 381 CB LYS A 38 11.632 9.746 -9.048 1.00 0.00 C ATOM 382 CG LYS A 38 12.378 10.506 -10.164 1.00 0.00 C ATOM 383 CD LYS A 38 12.688 9.552 -11.325 1.00 0.00 C ATOM 384 CE LYS A 38 13.355 10.341 -12.463 1.00 0.00 C ATOM 385 NZ LYS A 38 13.202 9.622 -13.762 1.00 0.00 N ATOM 0 H LYS A 38 10.357 9.080 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 38 12.407 11.101 -7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.197 8.862 -8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.664 9.399 -9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.771 11.339 -10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.303 10.930 -9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.346 8.751 -10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.771 9.083 -11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.908 11.333 -12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.413 10.483 -12.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.659 10.170 -14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.649 8.685 -13.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.191 9.508 -13.979 1.00 0.00 H new ATOM 399 N ASP A 39 9.512 11.451 -9.034 1.00 0.00 N ATOM 400 CA ASP A 39 8.518 12.468 -9.483 1.00 0.00 C ATOM 401 C ASP A 39 7.755 11.970 -10.708 1.00 0.00 C ATOM 402 O ASP A 39 7.123 12.742 -11.408 1.00 0.00 O ATOM 403 CB ASP A 39 9.260 13.777 -9.841 1.00 0.00 C ATOM 404 CG ASP A 39 9.150 14.774 -8.668 1.00 0.00 C ATOM 405 OD1 ASP A 39 8.714 14.328 -7.613 1.00 0.00 O ATOM 406 OD2 ASP A 39 9.519 15.914 -8.891 1.00 0.00 O ATOM 0 H ASP A 39 9.355 10.508 -9.390 1.00 0.00 H new ATOM 0 HA ASP A 39 7.807 12.646 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.308 13.566 -10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.832 14.214 -10.744 1.00 0.00 H new ATOM 411 N GLY A 40 7.816 10.681 -10.944 1.00 0.00 N ATOM 412 CA GLY A 40 7.091 10.134 -12.120 1.00 0.00 C ATOM 413 C GLY A 40 7.172 8.604 -12.177 1.00 0.00 C ATOM 414 O GLY A 40 6.159 7.936 -12.197 1.00 0.00 O ATOM 0 H GLY A 40 8.327 10.000 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.046 10.441 -12.078 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.511 10.555 -13.034 1.00 0.00 H new ATOM 418 N TYR A 41 8.378 8.082 -12.197 1.00 0.00 N ATOM 419 CA TYR A 41 8.538 6.596 -12.255 1.00 0.00 C ATOM 420 C TYR A 41 8.949 5.992 -10.912 1.00 0.00 C ATOM 421 O TYR A 41 9.676 6.596 -10.146 1.00 0.00 O ATOM 422 CB TYR A 41 9.633 6.289 -13.283 1.00 0.00 C ATOM 423 CG TYR A 41 9.329 7.054 -14.572 1.00 0.00 C ATOM 424 CD1 TYR A 41 9.473 8.427 -14.623 1.00 0.00 C ATOM 425 CD2 TYR A 41 8.896 6.385 -15.698 1.00 0.00 C ATOM 426 CE1 TYR A 41 9.189 9.117 -15.783 1.00 0.00 C ATOM 427 CE2 TYR A 41 8.611 7.076 -16.857 1.00 0.00 C ATOM 428 CZ TYR A 41 8.756 8.448 -16.909 1.00 0.00 C ATOM 429 OH TYR A 41 8.472 9.138 -18.069 1.00 0.00 O ATOM 0 H TYR A 41 9.247 8.615 -12.176 1.00 0.00 H new ATOM 0 HA TYR A 41 7.577 6.159 -12.526 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.609 6.580 -12.893 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.675 5.218 -13.481 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.810 8.964 -13.749 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.779 5.312 -15.672 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.307 10.190 -15.810 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.272 6.540 -17.731 1.00 0.00 H new ATOM 0 HH TYR A 41 8.181 8.508 -18.761 1.00 0.00 H new ATOM 439 N ILE A 42 8.466 4.793 -10.657 1.00 0.00 N ATOM 440 CA ILE A 42 8.804 4.111 -9.376 1.00 0.00 C ATOM 441 C ILE A 42 9.944 3.121 -9.585 1.00 0.00 C ATOM 442 O ILE A 42 10.121 2.596 -10.667 1.00 0.00 O ATOM 443 CB ILE A 42 7.580 3.324 -8.892 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.828 2.781 -10.082 1.00 0.00 C ATOM 445 CG2 ILE A 42 6.647 4.261 -8.115 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.635 1.968 -9.588 1.00 0.00 C ATOM 0 H ILE A 42 7.856 4.266 -11.282 1.00 0.00 H new ATOM 0 HA ILE A 42 9.100 4.865 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 42 7.910 2.506 -8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.489 3.599 -10.718 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.484 2.156 -10.689 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.776 3.703 -7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.178 4.673 -7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.323 5.074 -8.765 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.086 1.572 -10.442 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.988 1.143 -8.969 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.978 2.608 -8.999 1.00 0.00 H new ATOM 458 N ASN A 43 10.696 2.878 -8.547 1.00 0.00 N ATOM 459 CA ASN A 43 11.825 1.923 -8.675 1.00 0.00 C ATOM 460 C ASN A 43 11.384 0.516 -8.280 1.00 0.00 C ATOM 461 O ASN A 43 10.459 0.348 -7.509 1.00 0.00 O ATOM 462 CB ASN A 43 12.953 2.376 -7.735 1.00 0.00 C ATOM 463 CG ASN A 43 12.344 2.929 -6.447 1.00 0.00 C ATOM 464 OD1 ASN A 43 12.477 2.349 -5.386 1.00 0.00 O ATOM 465 ND2 ASN A 43 11.671 4.047 -6.491 1.00 0.00 N ATOM 0 H ASN A 43 10.577 3.297 -7.625 1.00 0.00 H new ATOM 0 HA ASN A 43 12.166 1.905 -9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.612 1.538 -7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.562 3.139 -8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.261 4.429 -5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.556 4.538 -7.377 1.00 0.00 H new ATOM 472 N CYS A 44 12.049 -0.473 -8.816 1.00 0.00 N ATOM 473 CA CYS A 44 11.675 -1.870 -8.479 1.00 0.00 C ATOM 474 C CYS A 44 11.653 -2.079 -6.967 1.00 0.00 C ATOM 475 O CYS A 44 10.939 -2.925 -6.466 1.00 0.00 O ATOM 476 CB CYS A 44 12.718 -2.815 -9.099 1.00 0.00 C ATOM 477 SG CYS A 44 13.296 -4.198 -8.085 1.00 0.00 S ATOM 0 H CYS A 44 12.828 -0.372 -9.467 1.00 0.00 H new ATOM 0 HA CYS A 44 10.679 -2.076 -8.871 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.298 -3.224 -10.018 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.586 -2.219 -9.382 1.00 0.00 H new ATOM 0 HG CYS A 44 14.166 -4.893 -8.755 1.00 0.00 H new ATOM 483 N ARG A 45 12.439 -1.306 -6.266 1.00 0.00 N ATOM 484 CA ARG A 45 12.469 -1.454 -4.788 1.00 0.00 C ATOM 485 C ARG A 45 11.232 -0.830 -4.172 1.00 0.00 C ATOM 486 O ARG A 45 10.857 -1.148 -3.060 1.00 0.00 O ATOM 487 CB ARG A 45 13.711 -0.723 -4.248 1.00 0.00 C ATOM 488 CG ARG A 45 14.957 -1.244 -4.968 1.00 0.00 C ATOM 489 CD ARG A 45 15.416 -2.539 -4.300 1.00 0.00 C ATOM 490 NE ARG A 45 14.503 -3.643 -4.708 1.00 0.00 N ATOM 491 CZ ARG A 45 14.586 -4.799 -4.107 1.00 0.00 C ATOM 492 NH1 ARG A 45 15.392 -5.704 -4.588 1.00 0.00 N ATOM 493 NH2 ARG A 45 13.857 -5.009 -3.043 1.00 0.00 N ATOM 0 H ARG A 45 13.053 -0.588 -6.650 1.00 0.00 H new ATOM 0 HA ARG A 45 12.500 -2.513 -4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.610 0.351 -4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.804 -0.884 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.736 -1.422 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.752 -0.499 -4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.441 -2.770 -4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.410 -2.426 -3.216 1.00 0.00 H new ATOM 0 HE ARG A 45 13.819 -3.497 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.945 -5.503 -5.421 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.469 -6.613 -4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.238 -4.276 -2.696 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.907 -5.905 -2.559 1.00 0.00 H new ATOM 507 N ASP A 46 10.613 0.049 -4.908 1.00 0.00 N ATOM 508 CA ASP A 46 9.398 0.705 -4.389 1.00 0.00 C ATOM 509 C ASP A 46 8.203 -0.226 -4.508 1.00 0.00 C ATOM 510 O ASP A 46 7.451 -0.393 -3.573 1.00 0.00 O ATOM 511 CB ASP A 46 9.135 1.969 -5.223 1.00 0.00 C ATOM 512 CG ASP A 46 8.660 3.093 -4.303 1.00 0.00 C ATOM 513 OD1 ASP A 46 7.788 2.803 -3.499 1.00 0.00 O ATOM 514 OD2 ASP A 46 9.194 4.178 -4.453 1.00 0.00 O ATOM 0 H ASP A 46 10.900 0.336 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 46 9.543 0.959 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.044 2.270 -5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.383 1.765 -5.985 1.00 0.00 H new ATOM 519 N LEU A 47 8.042 -0.818 -5.658 1.00 0.00 N ATOM 520 CA LEU A 47 6.901 -1.735 -5.834 1.00 0.00 C ATOM 521 C LEU A 47 6.876 -2.781 -4.741 1.00 0.00 C ATOM 522 O LEU A 47 5.835 -3.075 -4.208 1.00 0.00 O ATOM 523 CB LEU A 47 7.029 -2.428 -7.191 1.00 0.00 C ATOM 524 CG LEU A 47 6.407 -1.527 -8.251 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.426 -0.458 -8.667 1.00 0.00 C ATOM 526 CD2 LEU A 47 6.019 -2.355 -9.453 1.00 0.00 C ATOM 0 H LEU A 47 8.648 -0.704 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 47 5.976 -1.160 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.077 -2.618 -7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.526 -3.395 -7.172 1.00 0.00 H new ATOM 0 HG LEU A 47 5.518 -1.044 -7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.985 0.189 -9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.703 0.138 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.314 -0.941 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.574 -1.710 -10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.906 -2.839 -9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.297 -3.115 -9.154 1.00 0.00 H new ATOM 538 N GLY A 48 8.018 -3.341 -4.429 1.00 0.00 N ATOM 539 CA GLY A 48 8.039 -4.374 -3.356 1.00 0.00 C ATOM 540 C GLY A 48 7.201 -3.877 -2.185 1.00 0.00 C ATOM 541 O GLY A 48 6.516 -4.641 -1.526 1.00 0.00 O ATOM 0 H GLY A 48 8.918 -3.132 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.642 -5.317 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.063 -4.564 -3.034 1.00 0.00 H new ATOM 545 N ASN A 49 7.264 -2.593 -1.963 1.00 0.00 N ATOM 546 CA ASN A 49 6.487 -2.007 -0.853 1.00 0.00 C ATOM 547 C ASN A 49 5.068 -1.679 -1.315 1.00 0.00 C ATOM 548 O ASN A 49 4.123 -1.789 -0.553 1.00 0.00 O ATOM 549 CB ASN A 49 7.183 -0.711 -0.396 1.00 0.00 C ATOM 550 CG ASN A 49 8.436 -1.065 0.411 1.00 0.00 C ATOM 551 OD1 ASN A 49 9.414 -0.345 0.405 1.00 0.00 O ATOM 552 ND2 ASN A 49 8.448 -2.163 1.117 1.00 0.00 N ATOM 0 H ASN A 49 7.820 -1.932 -2.505 1.00 0.00 H new ATOM 0 HA ASN A 49 6.433 -2.722 -0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.453 -0.105 -1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.502 -0.114 0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.275 -2.412 1.659 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.630 -2.772 1.126 1.00 0.00 H new ATOM 559 N CYS A 50 4.935 -1.289 -2.566 1.00 0.00 N ATOM 560 CA CYS A 50 3.585 -0.959 -3.074 1.00 0.00 C ATOM 561 C CYS A 50 2.815 -2.239 -3.335 1.00 0.00 C ATOM 562 O CYS A 50 1.601 -2.261 -3.310 1.00 0.00 O ATOM 563 CB CYS A 50 3.731 -0.180 -4.392 1.00 0.00 C ATOM 564 SG CYS A 50 2.405 0.972 -4.824 1.00 0.00 S ATOM 0 H CYS A 50 5.697 -1.190 -3.237 1.00 0.00 H new ATOM 0 HA CYS A 50 3.050 -0.358 -2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.665 0.380 -4.351 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.828 -0.903 -5.202 1.00 0.00 H new ATOM 0 HG CYS A 50 2.601 2.106 -4.219 1.00 0.00 H new ATOM 570 N MET A 51 3.547 -3.286 -3.573 1.00 0.00 N ATOM 571 CA MET A 51 2.908 -4.583 -3.837 1.00 0.00 C ATOM 572 C MET A 51 2.410 -5.188 -2.540 1.00 0.00 C ATOM 573 O MET A 51 1.294 -5.626 -2.450 1.00 0.00 O ATOM 574 CB MET A 51 3.956 -5.521 -4.450 1.00 0.00 C ATOM 575 CG MET A 51 3.902 -5.407 -5.973 1.00 0.00 C ATOM 576 SD MET A 51 3.014 -6.710 -6.860 1.00 0.00 S ATOM 577 CE MET A 51 3.668 -6.350 -8.502 1.00 0.00 C ATOM 0 H MET A 51 4.567 -3.291 -3.594 1.00 0.00 H new ATOM 0 HA MET A 51 2.066 -4.446 -4.516 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.951 -5.260 -4.089 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.765 -6.549 -4.143 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.443 -4.451 -6.226 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.925 -5.378 -6.348 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.359 -7.131 -9.196 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.284 -5.389 -8.844 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.757 -6.312 -8.460 1.00 0.00 H new ATOM 587 N ARG A 52 3.257 -5.199 -1.556 1.00 0.00 N ATOM 588 CA ARG A 52 2.841 -5.774 -0.259 1.00 0.00 C ATOM 589 C ARG A 52 1.715 -4.947 0.361 1.00 0.00 C ATOM 590 O ARG A 52 0.936 -5.445 1.150 1.00 0.00 O ATOM 591 CB ARG A 52 4.054 -5.756 0.684 1.00 0.00 C ATOM 592 CG ARG A 52 3.752 -6.611 1.918 1.00 0.00 C ATOM 593 CD ARG A 52 4.279 -5.896 3.165 1.00 0.00 C ATOM 594 NE ARG A 52 4.133 -6.796 4.342 1.00 0.00 N ATOM 595 CZ ARG A 52 4.713 -6.478 5.466 1.00 0.00 C ATOM 596 NH1 ARG A 52 4.292 -5.429 6.117 1.00 0.00 N ATOM 597 NH2 ARG A 52 5.697 -7.217 5.902 1.00 0.00 N ATOM 0 H ARG A 52 4.210 -4.838 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 52 2.480 -6.791 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.935 -6.140 0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.280 -4.733 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.678 -6.778 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.220 -7.591 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.325 -5.623 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.727 -4.970 3.329 1.00 0.00 H new ATOM 0 HE ARG A 52 3.585 -7.653 4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.522 -4.873 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.733 -5.164 6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.001 -8.029 5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.161 -6.982 6.779 1.00 0.00 H new ATOM 611 N THR A 53 1.644 -3.695 -0.012 1.00 0.00 N ATOM 612 CA THR A 53 0.577 -2.826 0.548 1.00 0.00 C ATOM 613 C THR A 53 -0.757 -3.011 -0.188 1.00 0.00 C ATOM 614 O THR A 53 -1.809 -2.874 0.408 1.00 0.00 O ATOM 615 CB THR A 53 1.029 -1.363 0.400 1.00 0.00 C ATOM 616 OG1 THR A 53 1.543 -1.003 1.664 1.00 0.00 O ATOM 617 CG2 THR A 53 -0.173 -0.428 0.193 1.00 0.00 C ATOM 0 H THR A 53 2.275 -3.244 -0.675 1.00 0.00 H new ATOM 0 HA THR A 53 0.420 -3.095 1.593 1.00 0.00 H new ATOM 0 HB THR A 53 1.723 -1.278 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.853 -0.074 1.638 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.178 0.599 0.092 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.709 -0.719 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.842 -0.500 1.051 1.00 0.00 H new ATOM 625 N MET A 54 -0.687 -3.319 -1.467 1.00 0.00 N ATOM 626 CA MET A 54 -1.941 -3.515 -2.258 1.00 0.00 C ATOM 627 C MET A 54 -1.958 -4.875 -2.949 1.00 0.00 C ATOM 628 O MET A 54 -2.763 -5.112 -3.827 1.00 0.00 O ATOM 629 CB MET A 54 -1.993 -2.424 -3.341 1.00 0.00 C ATOM 630 CG MET A 54 -2.821 -1.244 -2.833 1.00 0.00 C ATOM 631 SD MET A 54 -4.601 -1.497 -2.656 1.00 0.00 S ATOM 632 CE MET A 54 -4.681 -1.285 -0.862 1.00 0.00 C ATOM 0 H MET A 54 0.180 -3.441 -1.990 1.00 0.00 H new ATOM 0 HA MET A 54 -2.795 -3.460 -1.582 1.00 0.00 H new ATOM 0 HB2 MET A 54 -0.984 -2.094 -3.590 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.432 -2.824 -4.255 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.424 -0.946 -1.862 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.665 -0.405 -3.512 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.724 -1.243 -0.547 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.188 -2.126 -0.374 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.180 -0.358 -0.582 1.00 0.00 H new ATOM 642 N GLY A 55 -1.078 -5.742 -2.534 1.00 0.00 N ATOM 643 CA GLY A 55 -1.027 -7.098 -3.160 1.00 0.00 C ATOM 644 C GLY A 55 -1.633 -8.154 -2.240 1.00 0.00 C ATOM 645 O GLY A 55 -2.434 -8.956 -2.670 1.00 0.00 O ATOM 0 H GLY A 55 -0.396 -5.575 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.566 -7.085 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.007 -7.359 -3.386 1.00 0.00 H new ATOM 649 N TYR A 56 -1.247 -8.127 -0.989 1.00 0.00 N ATOM 650 CA TYR A 56 -1.795 -9.131 -0.037 1.00 0.00 C ATOM 651 C TYR A 56 -1.825 -10.504 -0.688 1.00 0.00 C ATOM 652 O TYR A 56 -2.632 -11.340 -0.345 1.00 0.00 O ATOM 653 CB TYR A 56 -3.236 -8.741 0.333 1.00 0.00 C ATOM 654 CG TYR A 56 -3.241 -7.400 1.072 1.00 0.00 C ATOM 655 CD1 TYR A 56 -2.961 -7.342 2.423 1.00 0.00 C ATOM 656 CD2 TYR A 56 -3.548 -6.235 0.402 1.00 0.00 C ATOM 657 CE1 TYR A 56 -2.989 -6.137 3.093 1.00 0.00 C ATOM 658 CE2 TYR A 56 -3.576 -5.028 1.072 1.00 0.00 C ATOM 659 CZ TYR A 56 -3.297 -4.969 2.421 1.00 0.00 C ATOM 660 OH TYR A 56 -3.331 -3.763 3.090 1.00 0.00 O ATOM 0 H TYR A 56 -0.584 -7.461 -0.593 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.164 -9.158 0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.846 -8.672 -0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.681 -9.513 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.718 -8.248 2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.768 -6.267 -0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.769 -6.106 4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.818 -4.123 0.535 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.564 -3.047 2.462 1.00 0.00 H new ATOM 670 N MET A 57 -0.938 -10.710 -1.622 1.00 0.00 N ATOM 671 CA MET A 57 -0.899 -12.021 -2.311 1.00 0.00 C ATOM 672 C MET A 57 0.474 -12.330 -2.943 1.00 0.00 C ATOM 673 O MET A 57 0.951 -13.444 -2.856 1.00 0.00 O ATOM 674 CB MET A 57 -1.959 -12.013 -3.425 1.00 0.00 C ATOM 675 CG MET A 57 -2.663 -13.370 -3.456 1.00 0.00 C ATOM 676 SD MET A 57 -3.419 -13.951 -1.917 1.00 0.00 S ATOM 677 CE MET A 57 -4.854 -12.850 -1.943 1.00 0.00 C ATOM 0 H MET A 57 -0.245 -10.030 -1.933 1.00 0.00 H new ATOM 0 HA MET A 57 -1.094 -12.791 -1.564 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.683 -11.218 -3.249 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.491 -11.810 -4.388 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.441 -13.329 -4.219 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.939 -14.118 -3.779 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.455 -13.014 -1.048 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.517 -11.814 -1.969 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.456 -13.058 -2.827 1.00 0.00 H new ATOM 687 N PRO A 58 1.097 -11.337 -3.574 1.00 0.00 N ATOM 688 CA PRO A 58 2.397 -11.551 -4.202 1.00 0.00 C ATOM 689 C PRO A 58 3.470 -11.828 -3.160 1.00 0.00 C ATOM 690 O PRO A 58 3.360 -11.410 -2.023 1.00 0.00 O ATOM 691 CB PRO A 58 2.708 -10.230 -4.940 1.00 0.00 C ATOM 692 CG PRO A 58 1.505 -9.270 -4.692 1.00 0.00 C ATOM 693 CD PRO A 58 0.569 -9.967 -3.691 1.00 0.00 C ATOM 0 HA PRO A 58 2.380 -12.411 -4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.634 -9.791 -4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.845 -10.408 -6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.850 -8.315 -4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.982 -9.058 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.571 -9.458 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.461 -9.969 -4.048 1.00 0.00 H new ATOM 701 N THR A 59 4.491 -12.529 -3.564 1.00 0.00 N ATOM 702 CA THR A 59 5.575 -12.841 -2.610 1.00 0.00 C ATOM 703 C THR A 59 6.451 -11.622 -2.376 1.00 0.00 C ATOM 704 O THR A 59 6.040 -10.506 -2.631 1.00 0.00 O ATOM 705 CB THR A 59 6.431 -13.957 -3.211 1.00 0.00 C ATOM 706 OG1 THR A 59 7.312 -13.311 -4.107 1.00 0.00 O ATOM 707 CG2 THR A 59 5.580 -14.876 -4.098 1.00 0.00 C ATOM 0 H THR A 59 4.617 -12.895 -4.508 1.00 0.00 H new ATOM 0 HA THR A 59 5.142 -13.147 -1.658 1.00 0.00 H new ATOM 0 HB THR A 59 6.908 -14.529 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.848 -12.565 -4.542 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.208 -15.663 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.786 -15.324 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.140 -14.294 -4.908 1.00 0.00 H new ATOM 715 N GLU A 60 7.641 -11.863 -1.889 1.00 0.00 N ATOM 716 CA GLU A 60 8.579 -10.745 -1.624 1.00 0.00 C ATOM 717 C GLU A 60 9.865 -10.953 -2.404 1.00 0.00 C ATOM 718 O GLU A 60 10.879 -10.345 -2.120 1.00 0.00 O ATOM 719 CB GLU A 60 8.900 -10.729 -0.122 1.00 0.00 C ATOM 720 CG GLU A 60 7.605 -10.490 0.659 1.00 0.00 C ATOM 721 CD GLU A 60 7.368 -8.985 0.797 1.00 0.00 C ATOM 722 OE1 GLU A 60 7.981 -8.419 1.687 1.00 0.00 O ATOM 723 OE2 GLU A 60 6.586 -8.485 0.005 1.00 0.00 O ATOM 0 H GLU A 60 8.000 -12.791 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 60 8.125 -9.802 -1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.352 -11.675 0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.624 -9.946 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.765 -10.956 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.671 -10.951 1.644 1.00 0.00 H new ATOM 730 N MET A 61 9.794 -11.815 -3.379 1.00 0.00 N ATOM 731 CA MET A 61 10.988 -12.091 -4.201 1.00 0.00 C ATOM 732 C MET A 61 10.588 -12.405 -5.633 1.00 0.00 C ATOM 733 O MET A 61 11.381 -12.280 -6.544 1.00 0.00 O ATOM 734 CB MET A 61 11.715 -13.305 -3.611 1.00 0.00 C ATOM 735 CG MET A 61 10.733 -14.473 -3.488 1.00 0.00 C ATOM 736 SD MET A 61 10.917 -15.567 -2.057 1.00 0.00 S ATOM 737 CE MET A 61 9.597 -14.848 -1.049 1.00 0.00 C ATOM 0 H MET A 61 8.957 -12.337 -3.637 1.00 0.00 H new ATOM 0 HA MET A 61 11.635 -11.214 -4.201 1.00 0.00 H new ATOM 0 HB2 MET A 61 12.554 -13.586 -4.248 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.127 -13.057 -2.633 1.00 0.00 H new ATOM 0 HG2 MET A 61 9.723 -14.064 -3.472 1.00 0.00 H new ATOM 0 HG3 MET A 61 10.817 -15.080 -4.389 1.00 0.00 H new ATOM 0 HE1 MET A 61 9.720 -15.160 -0.012 1.00 0.00 H new ATOM 0 HE2 MET A 61 9.644 -13.761 -1.109 1.00 0.00 H new ATOM 0 HE3 MET A 61 8.630 -15.190 -1.418 1.00 0.00 H new ATOM 747 N GLU A 62 9.361 -12.814 -5.811 1.00 0.00 N ATOM 748 CA GLU A 62 8.899 -13.138 -7.178 1.00 0.00 C ATOM 749 C GLU A 62 8.703 -11.862 -7.979 1.00 0.00 C ATOM 750 O GLU A 62 9.206 -11.729 -9.083 1.00 0.00 O ATOM 751 CB GLU A 62 7.556 -13.880 -7.081 1.00 0.00 C ATOM 752 CG GLU A 62 7.809 -15.333 -6.672 1.00 0.00 C ATOM 753 CD GLU A 62 6.520 -16.139 -6.842 1.00 0.00 C ATOM 754 OE1 GLU A 62 5.672 -15.657 -7.576 1.00 0.00 O ATOM 755 OE2 GLU A 62 6.453 -17.191 -6.229 1.00 0.00 O ATOM 0 H GLU A 62 8.668 -12.935 -5.072 1.00 0.00 H new ATOM 0 HA GLU A 62 9.644 -13.760 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.910 -13.392 -6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.038 -13.845 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.603 -15.762 -7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.145 -15.378 -5.636 1.00 0.00 H new ATOM 762 N LEU A 63 7.973 -10.940 -7.415 1.00 0.00 N ATOM 763 CA LEU A 63 7.741 -9.675 -8.137 1.00 0.00 C ATOM 764 C LEU A 63 9.073 -9.107 -8.584 1.00 0.00 C ATOM 765 O LEU A 63 9.163 -8.417 -9.579 1.00 0.00 O ATOM 766 CB LEU A 63 7.062 -8.678 -7.183 1.00 0.00 C ATOM 767 CG LEU A 63 7.830 -8.644 -5.860 1.00 0.00 C ATOM 768 CD1 LEU A 63 7.940 -7.196 -5.378 1.00 0.00 C ATOM 769 CD2 LEU A 63 7.076 -9.466 -4.815 1.00 0.00 C ATOM 0 H LEU A 63 7.535 -11.013 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 63 7.107 -9.851 -9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.041 -7.684 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.027 -8.971 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 63 8.827 -9.061 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.487 -7.167 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.470 -6.604 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.941 -6.785 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.621 -9.443 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.081 -9.045 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.987 -10.497 -5.158 1.00 0.00 H new ATOM 781 N ILE A 64 10.093 -9.414 -7.826 1.00 0.00 N ATOM 782 CA ILE A 64 11.427 -8.925 -8.161 1.00 0.00 C ATOM 783 C ILE A 64 11.844 -9.435 -9.535 1.00 0.00 C ATOM 784 O ILE A 64 12.199 -8.662 -10.400 1.00 0.00 O ATOM 785 CB ILE A 64 12.379 -9.440 -7.060 1.00 0.00 C ATOM 786 CG1 ILE A 64 13.055 -8.266 -6.403 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.468 -10.367 -7.655 1.00 0.00 C ATOM 788 CD1 ILE A 64 12.030 -7.512 -5.553 1.00 0.00 C ATOM 0 H ILE A 64 10.040 -9.989 -6.985 1.00 0.00 H new ATOM 0 HA ILE A 64 11.453 -7.836 -8.205 1.00 0.00 H new ATOM 0 HB ILE A 64 11.792 -10.004 -6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 64 13.882 -8.608 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.478 -7.604 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.125 -10.715 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.994 -11.223 -8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 64 14.052 -9.816 -8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.511 -6.660 -5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 64 11.218 -7.159 -6.189 1.00 0.00 H new ATOM 0 HD13 ILE A 64 11.629 -8.179 -4.790 1.00 0.00 H new ATOM 800 N GLU A 65 11.793 -10.723 -9.715 1.00 0.00 N ATOM 801 CA GLU A 65 12.184 -11.275 -11.024 1.00 0.00 C ATOM 802 C GLU A 65 11.435 -10.547 -12.118 1.00 0.00 C ATOM 803 O GLU A 65 11.945 -10.351 -13.204 1.00 0.00 O ATOM 804 CB GLU A 65 11.815 -12.766 -11.060 1.00 0.00 C ATOM 805 CG GLU A 65 12.329 -13.381 -12.363 1.00 0.00 C ATOM 806 CD GLU A 65 13.859 -13.431 -12.331 1.00 0.00 C ATOM 807 OE1 GLU A 65 14.371 -13.680 -11.252 1.00 0.00 O ATOM 808 OE2 GLU A 65 14.428 -13.220 -13.389 1.00 0.00 O ATOM 0 H GLU A 65 11.500 -11.406 -9.016 1.00 0.00 H new ATOM 0 HA GLU A 65 13.256 -11.152 -11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.251 -13.281 -10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.734 -12.887 -10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.924 -14.385 -12.489 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.991 -12.791 -13.215 1.00 0.00 H new ATOM 815 N LEU A 66 10.228 -10.155 -11.811 1.00 0.00 N ATOM 816 CA LEU A 66 9.427 -9.433 -12.819 1.00 0.00 C ATOM 817 C LEU A 66 9.900 -7.996 -12.924 1.00 0.00 C ATOM 818 O LEU A 66 10.206 -7.514 -14.001 1.00 0.00 O ATOM 819 CB LEU A 66 7.955 -9.447 -12.380 1.00 0.00 C ATOM 820 CG LEU A 66 7.530 -10.888 -12.096 1.00 0.00 C ATOM 821 CD1 LEU A 66 6.008 -10.943 -11.959 1.00 0.00 C ATOM 822 CD2 LEU A 66 7.964 -11.781 -13.262 1.00 0.00 C ATOM 0 H LEU A 66 9.772 -10.306 -10.911 1.00 0.00 H new ATOM 0 HA LEU A 66 9.539 -9.918 -13.789 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.823 -8.834 -11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.326 -9.016 -13.159 1.00 0.00 H new ATOM 0 HG LEU A 66 7.996 -11.236 -11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.698 -11.968 -11.756 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.693 -10.299 -11.138 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.547 -10.601 -12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.663 -12.810 -13.064 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.491 -11.435 -14.181 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.047 -11.735 -13.372 1.00 0.00 H new ATOM 834 N SER A 67 9.964 -7.331 -11.801 1.00 0.00 N ATOM 835 CA SER A 67 10.416 -5.933 -11.835 1.00 0.00 C ATOM 836 C SER A 67 11.880 -5.886 -12.231 1.00 0.00 C ATOM 837 O SER A 67 12.399 -4.853 -12.601 1.00 0.00 O ATOM 838 CB SER A 67 10.224 -5.309 -10.442 1.00 0.00 C ATOM 839 OG SER A 67 11.296 -5.836 -9.670 1.00 0.00 O ATOM 0 H SER A 67 9.724 -7.699 -10.880 1.00 0.00 H new ATOM 0 HA SER A 67 9.834 -5.370 -12.565 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.262 -4.221 -10.485 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.257 -5.577 -10.016 1.00 0.00 H new ATOM 0 HG SER A 67 11.559 -5.184 -8.988 1.00 0.00 H new ATOM 845 N GLN A 68 12.525 -7.019 -12.141 1.00 0.00 N ATOM 846 CA GLN A 68 13.953 -7.070 -12.511 1.00 0.00 C ATOM 847 C GLN A 68 14.043 -7.188 -14.007 1.00 0.00 C ATOM 848 O GLN A 68 14.819 -6.511 -14.639 1.00 0.00 O ATOM 849 CB GLN A 68 14.603 -8.303 -11.862 1.00 0.00 C ATOM 850 CG GLN A 68 16.093 -8.328 -12.212 1.00 0.00 C ATOM 851 CD GLN A 68 16.290 -9.069 -13.536 1.00 0.00 C ATOM 852 OE1 GLN A 68 16.869 -8.552 -14.469 1.00 0.00 O ATOM 853 NE2 GLN A 68 15.825 -10.282 -13.657 1.00 0.00 N ATOM 0 H GLN A 68 12.120 -7.902 -11.828 1.00 0.00 H new ATOM 0 HA GLN A 68 14.468 -6.172 -12.169 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.472 -8.272 -10.780 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.119 -9.213 -12.216 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.477 -7.311 -12.291 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.656 -8.821 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.338 -10.722 -12.876 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.949 -10.791 -14.532 1.00 0.00 H new ATOM 862 N GLN A 69 13.233 -8.054 -14.564 1.00 0.00 N ATOM 863 CA GLN A 69 13.269 -8.212 -16.022 1.00 0.00 C ATOM 864 C GLN A 69 13.157 -6.842 -16.637 1.00 0.00 C ATOM 865 O GLN A 69 13.742 -6.560 -17.662 1.00 0.00 O ATOM 866 CB GLN A 69 12.069 -9.065 -16.462 1.00 0.00 C ATOM 867 CG GLN A 69 12.355 -10.529 -16.133 1.00 0.00 C ATOM 868 CD GLN A 69 12.756 -11.265 -17.410 1.00 0.00 C ATOM 869 OE1 GLN A 69 13.411 -10.719 -18.275 1.00 0.00 O ATOM 870 NE2 GLN A 69 12.383 -12.503 -17.568 1.00 0.00 N ATOM 0 H GLN A 69 12.564 -8.643 -14.069 1.00 0.00 H new ATOM 0 HA GLN A 69 14.193 -8.698 -16.336 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.164 -8.734 -15.952 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.894 -8.946 -17.531 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.153 -10.598 -15.394 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.472 -10.994 -15.694 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.833 -12.966 -16.845 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.641 -13.009 -18.415 1.00 0.00 H new ATOM 879 N ILE A 70 12.389 -6.001 -15.985 1.00 0.00 N ATOM 880 CA ILE A 70 12.209 -4.637 -16.486 1.00 0.00 C ATOM 881 C ILE A 70 13.552 -4.057 -16.926 1.00 0.00 C ATOM 882 O ILE A 70 13.624 -3.253 -17.833 1.00 0.00 O ATOM 883 CB ILE A 70 11.643 -3.817 -15.316 1.00 0.00 C ATOM 884 CG1 ILE A 70 10.581 -2.863 -15.799 1.00 0.00 C ATOM 885 CG2 ILE A 70 12.777 -3.000 -14.651 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.698 -2.518 -14.613 1.00 0.00 C ATOM 0 H ILE A 70 11.885 -6.219 -15.126 1.00 0.00 H new ATOM 0 HA ILE A 70 11.540 -4.618 -17.347 1.00 0.00 H new ATOM 0 HB ILE A 70 11.206 -4.509 -14.596 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.035 -1.963 -16.213 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.992 -3.318 -16.595 1.00 0.00 H new ATOM 0 HG21 ILE A 70 12.370 -2.421 -13.822 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.544 -3.679 -14.277 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.217 -2.324 -15.385 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.917 -1.827 -14.930 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.242 -3.428 -14.222 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.301 -2.051 -13.834 1.00 0.00 H new ATOM 898 N ASN A 71 14.589 -4.484 -16.259 1.00 0.00 N ATOM 899 CA ASN A 71 15.941 -3.989 -16.598 1.00 0.00 C ATOM 900 C ASN A 71 16.260 -4.245 -18.067 1.00 0.00 C ATOM 901 O ASN A 71 17.245 -3.758 -18.586 1.00 0.00 O ATOM 902 CB ASN A 71 16.953 -4.748 -15.722 1.00 0.00 C ATOM 903 CG ASN A 71 18.366 -4.514 -16.249 1.00 0.00 C ATOM 904 OD1 ASN A 71 18.824 -3.393 -16.355 1.00 0.00 O ATOM 905 ND2 ASN A 71 19.091 -5.543 -16.590 1.00 0.00 N ATOM 0 H ASN A 71 14.552 -5.156 -15.493 1.00 0.00 H new ATOM 0 HA ASN A 71 15.992 -2.915 -16.420 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.879 -4.410 -14.688 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.725 -5.814 -15.726 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.038 -5.405 -16.944 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.711 -6.486 -16.503 1.00 0.00 H new ATOM 912 N MET A 72 15.417 -5.006 -18.712 1.00 0.00 N ATOM 913 CA MET A 72 15.655 -5.304 -20.146 1.00 0.00 C ATOM 914 C MET A 72 15.958 -4.026 -20.921 1.00 0.00 C ATOM 915 O MET A 72 16.775 -4.021 -21.821 1.00 0.00 O ATOM 916 CB MET A 72 14.382 -5.942 -20.724 1.00 0.00 C ATOM 917 CG MET A 72 13.331 -4.854 -20.946 1.00 0.00 C ATOM 918 SD MET A 72 11.655 -5.390 -21.358 1.00 0.00 S ATOM 919 CE MET A 72 10.886 -3.753 -21.346 1.00 0.00 C ATOM 0 H MET A 72 14.581 -5.429 -18.308 1.00 0.00 H new ATOM 0 HA MET A 72 16.508 -5.977 -20.235 1.00 0.00 H new ATOM 0 HB2 MET A 72 14.607 -6.444 -21.665 1.00 0.00 H new ATOM 0 HB3 MET A 72 13.999 -6.701 -20.042 1.00 0.00 H new ATOM 0 HG2 MET A 72 13.278 -4.247 -20.042 1.00 0.00 H new ATOM 0 HG3 MET A 72 13.683 -4.204 -21.747 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.826 -3.847 -21.581 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.001 -3.304 -20.359 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.367 -3.119 -22.091 1.00 0.00 H new ATOM 929 N ASN A 73 15.291 -2.961 -20.560 1.00 0.00 N ATOM 930 CA ASN A 73 15.528 -1.677 -21.267 1.00 0.00 C ATOM 931 C ASN A 73 15.253 -0.491 -20.348 1.00 0.00 C ATOM 932 O ASN A 73 16.029 0.443 -20.287 1.00 0.00 O ATOM 933 CB ASN A 73 14.575 -1.605 -22.469 1.00 0.00 C ATOM 934 CG ASN A 73 15.179 -2.381 -23.644 1.00 0.00 C ATOM 935 OD1 ASN A 73 14.741 -3.464 -23.976 1.00 0.00 O ATOM 936 ND2 ASN A 73 16.183 -1.864 -24.298 1.00 0.00 N ATOM 0 H ASN A 73 14.599 -2.928 -19.812 1.00 0.00 H new ATOM 0 HA ASN A 73 16.569 -1.633 -21.588 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.604 -2.023 -22.203 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.407 -0.566 -22.753 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.595 -2.369 -25.083 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.556 -0.955 -24.025 1.00 0.00 H new ATOM 943 N LEU A 74 14.152 -0.548 -19.652 1.00 0.00 N ATOM 944 CA LEU A 74 13.813 0.567 -18.735 1.00 0.00 C ATOM 945 C LEU A 74 14.949 0.809 -17.753 1.00 0.00 C ATOM 946 O LEU A 74 15.495 1.892 -17.687 1.00 0.00 O ATOM 947 CB LEU A 74 12.541 0.186 -17.960 1.00 0.00 C ATOM 948 CG LEU A 74 11.354 0.164 -18.929 1.00 0.00 C ATOM 949 CD1 LEU A 74 10.258 -0.745 -18.369 1.00 0.00 C ATOM 950 CD2 LEU A 74 10.801 1.584 -19.082 1.00 0.00 C ATOM 0 H LEU A 74 13.479 -1.314 -19.680 1.00 0.00 H new ATOM 0 HA LEU A 74 13.652 1.478 -19.311 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.663 -0.791 -17.493 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.360 0.902 -17.159 1.00 0.00 H new ATOM 0 HG LEU A 74 11.681 -0.211 -19.899 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.413 -0.762 -19.057 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.649 -1.755 -18.250 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.930 -0.366 -17.401 1.00 0.00 H new ATOM 0 HD21 LEU A 74 9.956 1.573 -19.771 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.473 1.953 -18.110 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.580 2.238 -19.474 1.00 0.00 H new ATOM 962 N GLY A 75 15.282 -0.208 -17.006 1.00 0.00 N ATOM 963 CA GLY A 75 16.392 -0.063 -16.012 1.00 0.00 C ATOM 964 C GLY A 75 15.858 0.192 -14.596 1.00 0.00 C ATOM 965 O GLY A 75 16.379 1.024 -13.882 1.00 0.00 O ATOM 0 H GLY A 75 14.840 -1.127 -17.037 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.002 -0.966 -16.013 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.041 0.760 -16.310 1.00 0.00 H new ATOM 969 N GLY A 76 14.832 -0.524 -14.213 1.00 0.00 N ATOM 970 CA GLY A 76 14.276 -0.317 -12.844 1.00 0.00 C ATOM 971 C GLY A 76 13.425 0.950 -12.785 1.00 0.00 C ATOM 972 O GLY A 76 13.431 1.658 -11.796 1.00 0.00 O ATOM 0 H GLY A 76 14.362 -1.231 -14.778 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.672 -1.179 -12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.091 -0.246 -12.124 1.00 0.00 H new ATOM 976 N HIS A 77 12.714 1.209 -13.842 1.00 0.00 N ATOM 977 CA HIS A 77 11.854 2.418 -13.874 1.00 0.00 C ATOM 978 C HIS A 77 10.559 2.102 -14.584 1.00 0.00 C ATOM 979 O HIS A 77 10.532 1.963 -15.790 1.00 0.00 O ATOM 980 CB HIS A 77 12.578 3.526 -14.643 1.00 0.00 C ATOM 981 CG HIS A 77 13.677 4.123 -13.759 1.00 0.00 C ATOM 982 ND1 HIS A 77 14.897 4.096 -14.021 1.00 0.00 N ATOM 983 CD2 HIS A 77 13.576 4.782 -12.548 1.00 0.00 C ATOM 984 CE1 HIS A 77 15.581 4.662 -13.116 1.00 0.00 C ATOM 985 NE2 HIS A 77 14.823 5.134 -12.127 1.00 0.00 N ATOM 0 H HIS A 77 12.691 0.636 -14.685 1.00 0.00 H new ATOM 0 HA HIS A 77 11.645 2.740 -12.854 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.011 3.125 -15.559 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.871 4.302 -14.937 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.656 4.985 -12.020 1.00 0.00 H new ATOM 0 HE1 HIS A 77 16.657 4.752 -13.144 1.00 0.00 H new ATOM 0 HE2 HIS A 77 15.102 5.628 -11.279 1.00 0.00 H new ATOM 993 N VAL A 78 9.507 1.996 -13.821 1.00 0.00 N ATOM 994 CA VAL A 78 8.188 1.685 -14.421 1.00 0.00 C ATOM 995 C VAL A 78 7.247 2.872 -14.369 1.00 0.00 C ATOM 996 O VAL A 78 7.214 3.618 -13.407 1.00 0.00 O ATOM 997 CB VAL A 78 7.559 0.493 -13.633 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.472 0.118 -12.481 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.176 0.873 -13.065 1.00 0.00 C ATOM 0 H VAL A 78 9.508 2.112 -12.808 1.00 0.00 H new ATOM 0 HA VAL A 78 8.337 1.430 -15.470 1.00 0.00 H new ATOM 0 HB VAL A 78 7.440 -0.346 -14.318 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.037 -0.714 -11.928 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.447 -0.175 -12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.589 0.974 -11.816 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.761 0.025 -12.521 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.281 1.722 -12.389 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.508 1.142 -13.883 1.00 0.00 H new ATOM 1009 N ASP A 79 6.517 3.022 -15.422 1.00 0.00 N ATOM 1010 CA ASP A 79 5.552 4.126 -15.510 1.00 0.00 C ATOM 1011 C ASP A 79 4.196 3.558 -15.181 1.00 0.00 C ATOM 1012 O ASP A 79 4.032 2.356 -15.200 1.00 0.00 O ATOM 1013 CB ASP A 79 5.545 4.666 -16.949 1.00 0.00 C ATOM 1014 CG ASP A 79 6.200 3.640 -17.874 1.00 0.00 C ATOM 1015 OD1 ASP A 79 5.833 2.484 -17.747 1.00 0.00 O ATOM 1016 OD2 ASP A 79 7.033 4.070 -18.655 1.00 0.00 O ATOM 0 H ASP A 79 6.550 2.414 -16.240 1.00 0.00 H new ATOM 0 HA ASP A 79 5.810 4.934 -14.826 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.523 4.863 -17.271 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.083 5.613 -16.998 1.00 0.00 H new ATOM 1021 N PHE A 80 3.251 4.387 -14.857 1.00 0.00 N ATOM 1022 CA PHE A 80 1.921 3.828 -14.531 1.00 0.00 C ATOM 1023 C PHE A 80 1.518 2.750 -15.537 1.00 0.00 C ATOM 1024 O PHE A 80 0.619 1.970 -15.289 1.00 0.00 O ATOM 1025 CB PHE A 80 0.871 4.935 -14.548 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.376 4.390 -13.865 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.321 3.988 -12.543 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.554 4.232 -14.568 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.421 3.431 -11.937 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.657 3.674 -13.958 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.591 3.274 -12.643 1.00 0.00 C ATOM 0 H PHE A 80 3.338 5.402 -14.805 1.00 0.00 H new ATOM 0 HA PHE A 80 1.980 3.383 -13.538 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.238 5.820 -14.028 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.647 5.236 -15.571 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.594 4.113 -11.983 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.611 4.547 -15.600 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.367 3.116 -10.905 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.575 3.550 -14.513 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.456 2.838 -12.166 1.00 0.00 H new ATOM 1041 N ASP A 81 2.195 2.723 -16.656 1.00 0.00 N ATOM 1042 CA ASP A 81 1.865 1.704 -17.679 1.00 0.00 C ATOM 1043 C ASP A 81 2.424 0.351 -17.267 1.00 0.00 C ATOM 1044 O ASP A 81 1.698 -0.619 -17.186 1.00 0.00 O ATOM 1045 CB ASP A 81 2.508 2.122 -19.013 1.00 0.00 C ATOM 1046 CG ASP A 81 1.819 3.383 -19.536 1.00 0.00 C ATOM 1047 OD1 ASP A 81 1.982 4.399 -18.882 1.00 0.00 O ATOM 1048 OD2 ASP A 81 1.169 3.259 -20.561 1.00 0.00 O ATOM 0 H ASP A 81 2.954 3.359 -16.898 1.00 0.00 H new ATOM 0 HA ASP A 81 0.782 1.629 -17.781 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.573 2.307 -18.874 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.417 1.316 -19.741 1.00 0.00 H new ATOM 1053 N ASP A 82 3.708 0.304 -17.010 1.00 0.00 N ATOM 1054 CA ASP A 82 4.305 -0.980 -16.603 1.00 0.00 C ATOM 1055 C ASP A 82 3.727 -1.391 -15.264 1.00 0.00 C ATOM 1056 O ASP A 82 3.410 -2.537 -15.042 1.00 0.00 O ATOM 1057 CB ASP A 82 5.823 -0.788 -16.464 1.00 0.00 C ATOM 1058 CG ASP A 82 6.443 -0.635 -17.855 1.00 0.00 C ATOM 1059 OD1 ASP A 82 5.980 0.247 -18.560 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.345 -1.408 -18.136 1.00 0.00 O ATOM 0 H ASP A 82 4.351 1.094 -17.066 1.00 0.00 H new ATOM 0 HA ASP A 82 4.091 -1.750 -17.344 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.036 0.094 -15.859 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.263 -1.642 -15.949 1.00 0.00 H new ATOM 1065 N PHE A 83 3.586 -0.426 -14.400 1.00 0.00 N ATOM 1066 CA PHE A 83 3.029 -0.703 -13.060 1.00 0.00 C ATOM 1067 C PHE A 83 1.703 -1.421 -13.191 1.00 0.00 C ATOM 1068 O PHE A 83 1.425 -2.357 -12.468 1.00 0.00 O ATOM 1069 CB PHE A 83 2.819 0.653 -12.390 1.00 0.00 C ATOM 1070 CG PHE A 83 2.127 0.520 -11.031 1.00 0.00 C ATOM 1071 CD1 PHE A 83 2.834 0.109 -9.913 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.825 0.972 -10.870 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.255 0.168 -8.661 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.253 1.025 -9.618 1.00 0.00 C ATOM 1075 CZ PHE A 83 0.966 0.629 -8.517 1.00 0.00 C ATOM 0 H PHE A 83 3.836 0.548 -14.572 1.00 0.00 H new ATOM 0 HA PHE A 83 3.698 -1.335 -12.477 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.782 1.146 -12.260 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.220 1.290 -13.041 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.843 -0.260 -10.021 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.256 1.285 -11.733 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.814 -0.148 -7.793 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.761 1.380 -9.504 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.517 0.679 -7.536 1.00 0.00 H new ATOM 1085 N VAL A 84 0.900 -0.970 -14.117 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.407 -1.619 -14.309 1.00 0.00 C ATOM 1087 C VAL A 84 -0.186 -3.032 -14.838 1.00 0.00 C ATOM 1088 O VAL A 84 -0.761 -3.987 -14.346 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.213 -0.790 -15.332 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.043 -1.718 -16.222 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -2.155 0.154 -14.581 1.00 0.00 C ATOM 0 H VAL A 84 1.099 -0.186 -14.739 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.954 -1.674 -13.368 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.523 -0.218 -15.953 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.608 -1.124 -16.940 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.380 -2.399 -16.756 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.733 -2.293 -15.605 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.728 0.743 -15.298 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.838 -0.429 -13.963 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.572 0.822 -13.947 1.00 0.00 H new ATOM 1101 N GLU A 85 0.657 -3.138 -15.834 1.00 0.00 N ATOM 1102 CA GLU A 85 0.936 -4.470 -16.409 1.00 0.00 C ATOM 1103 C GLU A 85 1.618 -5.342 -15.368 1.00 0.00 C ATOM 1104 O GLU A 85 1.259 -6.486 -15.181 1.00 0.00 O ATOM 1105 CB GLU A 85 1.875 -4.294 -17.614 1.00 0.00 C ATOM 1106 CG GLU A 85 1.165 -3.461 -18.682 1.00 0.00 C ATOM 1107 CD GLU A 85 0.815 -4.354 -19.873 1.00 0.00 C ATOM 1108 OE1 GLU A 85 -0.018 -5.223 -19.671 1.00 0.00 O ATOM 1109 OE2 GLU A 85 1.399 -4.119 -20.917 1.00 0.00 O ATOM 0 H GLU A 85 1.157 -2.360 -16.265 1.00 0.00 H new ATOM 0 HA GLU A 85 0.005 -4.943 -16.720 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.797 -3.802 -17.304 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.154 -5.267 -18.019 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.260 -3.015 -18.269 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.806 -2.640 -19.005 1.00 0.00 H new ATOM 1116 N LEU A 86 2.594 -4.778 -14.699 1.00 0.00 N ATOM 1117 CA LEU A 86 3.310 -5.557 -13.663 1.00 0.00 C ATOM 1118 C LEU A 86 2.307 -5.990 -12.603 1.00 0.00 C ATOM 1119 O LEU A 86 2.522 -6.931 -11.870 1.00 0.00 O ATOM 1120 CB LEU A 86 4.383 -4.635 -13.024 1.00 0.00 C ATOM 1121 CG LEU A 86 5.548 -5.460 -12.441 1.00 0.00 C ATOM 1122 CD1 LEU A 86 5.064 -6.206 -11.191 1.00 0.00 C ATOM 1123 CD2 LEU A 86 6.072 -6.452 -13.495 1.00 0.00 C ATOM 0 H LEU A 86 2.918 -3.820 -14.830 1.00 0.00 H new ATOM 0 HA LEU A 86 3.786 -6.438 -14.094 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.764 -3.941 -13.774 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.928 -4.035 -12.236 1.00 0.00 H new ATOM 0 HG LEU A 86 6.365 -4.794 -12.164 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.885 -6.791 -10.776 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.719 -5.486 -10.449 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.244 -6.872 -11.459 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.895 -7.030 -13.074 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.269 -7.127 -13.791 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.424 -5.903 -14.368 1.00 0.00 H new ATOM 1135 N MET A 87 1.214 -5.280 -12.558 1.00 0.00 N ATOM 1136 CA MET A 87 0.156 -5.599 -11.572 1.00 0.00 C ATOM 1137 C MET A 87 -0.907 -6.476 -12.224 1.00 0.00 C ATOM 1138 O MET A 87 -1.786 -6.978 -11.570 1.00 0.00 O ATOM 1139 CB MET A 87 -0.491 -4.286 -11.105 1.00 0.00 C ATOM 1140 CG MET A 87 0.461 -3.575 -10.136 1.00 0.00 C ATOM 1141 SD MET A 87 0.286 -3.943 -8.371 1.00 0.00 S ATOM 1142 CE MET A 87 1.443 -2.690 -7.761 1.00 0.00 C ATOM 0 H MET A 87 1.011 -4.488 -13.168 1.00 0.00 H new ATOM 0 HA MET A 87 0.590 -6.130 -10.725 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.703 -3.646 -11.961 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.443 -4.489 -10.615 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.482 -3.816 -10.430 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.336 -2.500 -10.270 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.017 -3.099 -6.929 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.122 -2.401 -8.563 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.887 -1.815 -7.423 1.00 0.00 H new ATOM 1152 N GLY A 88 -0.784 -6.634 -13.523 1.00 0.00 N ATOM 1153 CA GLY A 88 -1.761 -7.472 -14.299 1.00 0.00 C ATOM 1154 C GLY A 88 -2.375 -8.606 -13.455 1.00 0.00 C ATOM 1155 O GLY A 88 -3.577 -8.681 -13.304 1.00 0.00 O ATOM 0 H GLY A 88 -0.043 -6.215 -14.084 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.559 -6.834 -14.678 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.257 -7.901 -15.165 1.00 0.00 H new ATOM 1159 N PRO A 89 -1.533 -9.473 -12.929 1.00 0.00 N ATOM 1160 CA PRO A 89 -1.991 -10.591 -12.110 1.00 0.00 C ATOM 1161 C PRO A 89 -3.117 -10.209 -11.137 1.00 0.00 C ATOM 1162 O PRO A 89 -3.781 -11.076 -10.604 1.00 0.00 O ATOM 1163 CB PRO A 89 -0.733 -11.038 -11.346 1.00 0.00 C ATOM 1164 CG PRO A 89 0.492 -10.405 -12.082 1.00 0.00 C ATOM 1165 CD PRO A 89 -0.069 -9.398 -13.102 1.00 0.00 C ATOM 0 HA PRO A 89 -2.424 -11.377 -12.728 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.773 -10.707 -10.308 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.656 -12.125 -11.331 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.154 -9.908 -11.373 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.081 -11.174 -12.582 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.302 -8.391 -12.911 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.224 -9.658 -14.119 1.00 0.00 H new ATOM 1173 N LYS A 90 -3.319 -8.930 -10.920 1.00 0.00 N ATOM 1174 CA LYS A 90 -4.408 -8.520 -9.980 1.00 0.00 C ATOM 1175 C LYS A 90 -5.699 -8.247 -10.744 1.00 0.00 C ATOM 1176 O LYS A 90 -6.742 -8.054 -10.151 1.00 0.00 O ATOM 1177 CB LYS A 90 -3.991 -7.233 -9.246 1.00 0.00 C ATOM 1178 CG LYS A 90 -3.418 -7.602 -7.878 1.00 0.00 C ATOM 1179 CD LYS A 90 -4.558 -7.664 -6.860 1.00 0.00 C ATOM 1180 CE LYS A 90 -3.978 -7.952 -5.475 1.00 0.00 C ATOM 1181 NZ LYS A 90 -2.904 -8.982 -5.564 1.00 0.00 N ATOM 0 H LYS A 90 -2.789 -8.168 -11.343 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.574 -9.329 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.249 -6.690 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.850 -6.572 -9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.908 -8.564 -7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.677 -6.865 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.105 -6.721 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.269 -8.442 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.576 -7.035 -5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.768 -8.298 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.709 -9.363 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.213 -9.752 -6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.039 -8.550 -5.947 1.00 0.00 H new ATOM 1195 N LEU A 91 -5.604 -8.235 -12.054 1.00 0.00 N ATOM 1196 CA LEU A 91 -6.815 -7.976 -12.882 1.00 0.00 C ATOM 1197 C LEU A 91 -6.853 -8.901 -14.092 1.00 0.00 C ATOM 1198 O LEU A 91 -7.799 -8.936 -14.856 1.00 0.00 O ATOM 1199 CB LEU A 91 -6.765 -6.521 -13.375 1.00 0.00 C ATOM 1200 CG LEU A 91 -5.403 -6.250 -14.022 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -5.306 -7.020 -15.342 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -5.270 -4.752 -14.304 1.00 0.00 C ATOM 0 H LEU A 91 -4.743 -8.393 -12.578 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.703 -8.155 -12.277 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.564 -6.341 -14.094 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.927 -5.837 -12.542 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.608 -6.572 -13.350 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.338 -6.829 -15.804 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.412 -8.088 -15.149 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.100 -6.692 -16.013 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.302 -4.553 -14.765 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.065 -4.437 -14.980 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.348 -4.197 -13.369 1.00 0.00 H new TER 1214 LEU A 91 HETATM 1215 MG MG A 601 8.487 11.422 -7.000 1.00 0.00 MG