USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 466 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 8 SER OG : rot -137:sc= 1.14 USER MOD Set 1.2: A 11 ASN : amide:sc= 0.837 K(o=2,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0433) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.469 USER MOD Single : A 18 THR OG1 : rot 4:sc= 0.66 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.398 K(o=-0.4,f=-9.6!) USER MOD Single : A 35 GLN : amide:sc= -0.269 K(o=-0.27,f=-3.1!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 129:sc= -0.655 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 149:sc= -1.85! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00889 X(o=-0.0089,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.564 37.691 -8.026 1.00 0.00 N ATOM 2 CA GLY A 1 -7.504 37.370 -6.572 1.00 0.00 C ATOM 3 C GLY A 1 -6.123 36.809 -6.226 1.00 0.00 C ATOM 4 O GLY A 1 -5.540 37.149 -5.216 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.472 38.150 -8.243 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.784 38.333 -8.272 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.479 36.814 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.702 38.266 -5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.277 36.644 -6.317 1.00 0.00 H new ATOM 10 N LYS A 2 -5.596 35.951 -7.055 1.00 0.00 N ATOM 11 CA LYS A 2 -4.255 35.369 -6.770 1.00 0.00 C ATOM 12 C LYS A 2 -3.238 35.904 -7.779 1.00 0.00 C ATOM 13 O LYS A 2 -3.515 36.014 -8.957 1.00 0.00 O ATOM 14 CB LYS A 2 -4.328 33.845 -6.882 1.00 0.00 C ATOM 15 CG LYS A 2 -4.631 33.454 -8.329 1.00 0.00 C ATOM 16 CD LYS A 2 -5.479 32.181 -8.347 1.00 0.00 C ATOM 17 CE LYS A 2 -6.860 32.493 -8.927 1.00 0.00 C ATOM 18 NZ LYS A 2 -7.585 31.219 -9.191 1.00 0.00 N ATOM 0 H LYS A 2 -6.036 35.628 -7.917 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.946 35.648 -5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.385 33.401 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.102 33.458 -6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.160 34.263 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.702 33.292 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.988 31.413 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.579 31.784 -7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.428 33.110 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.758 33.064 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.524 31.429 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.045 30.646 -9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.693 30.691 -8.302 1.00 0.00 H new ATOM 32 N GLU A 3 -2.060 36.235 -7.329 1.00 0.00 N ATOM 33 CA GLU A 3 -1.024 36.759 -8.263 1.00 0.00 C ATOM 34 C GLU A 3 0.061 35.700 -8.466 1.00 0.00 C ATOM 35 O GLU A 3 0.982 35.885 -9.236 1.00 0.00 O ATOM 36 CB GLU A 3 -0.399 38.026 -7.674 1.00 0.00 C ATOM 37 CG GLU A 3 0.680 38.555 -8.621 1.00 0.00 C ATOM 38 CD GLU A 3 0.587 40.080 -8.702 1.00 0.00 C ATOM 39 OE1 GLU A 3 -0.158 40.652 -7.924 1.00 0.00 O ATOM 40 OE2 GLU A 3 1.263 40.651 -9.543 1.00 0.00 O ATOM 0 H GLU A 3 -1.769 36.165 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.485 36.995 -9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -1.166 38.785 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.034 37.810 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.667 38.259 -8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.554 38.119 -9.612 1.00 0.00 H new ATOM 47 N CYS A 4 -0.040 34.588 -7.786 1.00 0.00 N ATOM 48 CA CYS A 4 0.992 33.527 -7.954 1.00 0.00 C ATOM 49 C CYS A 4 0.360 32.292 -8.600 1.00 0.00 C ATOM 50 O CYS A 4 -0.743 31.899 -8.274 1.00 0.00 O ATOM 51 CB CYS A 4 1.579 33.145 -6.592 1.00 0.00 C ATOM 52 SG CYS A 4 2.555 34.520 -5.928 1.00 0.00 S ATOM 0 H CYS A 4 -0.787 34.371 -7.127 1.00 0.00 H new ATOM 0 HA CYS A 4 1.789 33.907 -8.594 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.776 32.891 -5.900 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.206 32.259 -6.693 1.00 0.00 H new ATOM 57 N ASP A 5 1.057 31.680 -9.516 1.00 0.00 N ATOM 58 CA ASP A 5 0.517 30.472 -10.195 1.00 0.00 C ATOM 59 C ASP A 5 1.653 29.469 -10.411 1.00 0.00 C ATOM 60 O ASP A 5 1.772 28.867 -11.458 1.00 0.00 O ATOM 61 CB ASP A 5 -0.072 30.876 -11.548 1.00 0.00 C ATOM 62 CG ASP A 5 -1.278 29.992 -11.867 1.00 0.00 C ATOM 63 OD1 ASP A 5 -1.510 29.049 -11.129 1.00 0.00 O ATOM 64 OD2 ASP A 5 -1.951 30.274 -12.846 1.00 0.00 O ATOM 0 H ASP A 5 1.985 31.968 -9.825 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.260 30.017 -9.581 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.372 31.924 -11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.682 30.776 -12.329 1.00 0.00 H new ATOM 69 N CYS A 6 2.494 29.291 -9.426 1.00 0.00 N ATOM 70 CA CYS A 6 3.628 28.331 -9.580 1.00 0.00 C ATOM 71 C CYS A 6 4.159 27.927 -8.198 1.00 0.00 C ATOM 72 O CYS A 6 4.173 26.762 -7.852 1.00 0.00 O ATOM 73 CB CYS A 6 4.751 28.988 -10.390 1.00 0.00 C ATOM 74 SG CYS A 6 4.837 30.755 -10.002 1.00 0.00 S ATOM 0 H CYS A 6 2.446 29.766 -8.525 1.00 0.00 H new ATOM 0 HA CYS A 6 3.276 27.442 -10.103 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.704 28.510 -10.162 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.572 28.849 -11.456 1.00 0.00 H new ATOM 79 N SER A 7 4.597 28.875 -7.409 1.00 0.00 N ATOM 80 CA SER A 7 5.126 28.544 -6.053 1.00 0.00 C ATOM 81 C SER A 7 6.563 28.030 -6.165 1.00 0.00 C ATOM 82 O SER A 7 7.142 27.566 -5.203 1.00 0.00 O ATOM 83 CB SER A 7 4.249 27.470 -5.407 1.00 0.00 C ATOM 84 OG SER A 7 2.887 27.730 -5.718 1.00 0.00 O ATOM 0 H SER A 7 4.611 29.867 -7.647 1.00 0.00 H new ATOM 0 HA SER A 7 5.114 29.443 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.535 26.483 -5.770 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.394 27.467 -4.327 1.00 0.00 H new ATOM 0 HG SER A 7 2.321 27.043 -5.308 1.00 0.00 H new ATOM 90 N SER A 8 7.148 28.109 -7.330 1.00 0.00 N ATOM 91 CA SER A 8 8.550 27.626 -7.491 1.00 0.00 C ATOM 92 C SER A 8 9.459 28.816 -7.821 1.00 0.00 C ATOM 93 O SER A 8 9.121 29.636 -8.650 1.00 0.00 O ATOM 94 CB SER A 8 8.612 26.607 -8.629 1.00 0.00 C ATOM 95 OG SER A 8 7.450 26.732 -9.437 1.00 0.00 O ATOM 0 H SER A 8 6.718 28.486 -8.175 1.00 0.00 H new ATOM 0 HA SER A 8 8.883 27.155 -6.566 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.506 26.771 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.680 25.597 -8.225 1.00 0.00 H new ATOM 0 HG SER A 8 7.105 25.841 -9.654 1.00 0.00 H new ATOM 101 N PRO A 9 10.589 28.879 -7.160 1.00 0.00 N ATOM 102 CA PRO A 9 11.565 29.962 -7.366 1.00 0.00 C ATOM 103 C PRO A 9 12.379 29.713 -8.638 1.00 0.00 C ATOM 104 O PRO A 9 13.300 30.442 -8.950 1.00 0.00 O ATOM 105 CB PRO A 9 12.457 29.882 -6.125 1.00 0.00 C ATOM 106 CG PRO A 9 12.314 28.442 -5.577 1.00 0.00 C ATOM 107 CD PRO A 9 10.999 27.880 -6.151 1.00 0.00 C ATOM 0 HA PRO A 9 11.100 30.940 -7.489 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.495 30.100 -6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.150 30.614 -5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.162 27.827 -5.878 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.292 28.443 -4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.148 26.898 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.243 27.764 -5.375 1.00 0.00 H new ATOM 115 N GLU A 10 12.047 28.689 -9.374 1.00 0.00 N ATOM 116 CA GLU A 10 12.801 28.394 -10.625 1.00 0.00 C ATOM 117 C GLU A 10 11.813 28.048 -11.740 1.00 0.00 C ATOM 118 O GLU A 10 11.858 26.978 -12.313 1.00 0.00 O ATOM 119 CB GLU A 10 13.743 27.212 -10.387 1.00 0.00 C ATOM 120 CG GLU A 10 12.930 25.989 -9.956 1.00 0.00 C ATOM 121 CD GLU A 10 13.256 24.807 -10.871 1.00 0.00 C ATOM 122 OE1 GLU A 10 13.115 24.958 -12.073 1.00 0.00 O ATOM 123 OE2 GLU A 10 13.639 23.771 -10.354 1.00 0.00 O ATOM 0 H GLU A 10 11.286 28.043 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 10 13.386 29.267 -10.915 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.301 26.989 -11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.474 27.465 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.158 25.734 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.864 26.214 -10.001 1.00 0.00 H new ATOM 130 N ASN A 11 10.917 28.945 -12.049 1.00 0.00 N ATOM 131 CA ASN A 11 9.924 28.666 -13.124 1.00 0.00 C ATOM 132 C ASN A 11 10.045 29.731 -14.223 1.00 0.00 C ATOM 133 O ASN A 11 9.987 30.912 -13.942 1.00 0.00 O ATOM 134 CB ASN A 11 8.513 28.710 -12.530 1.00 0.00 C ATOM 135 CG ASN A 11 7.609 27.733 -13.282 1.00 0.00 C ATOM 136 OD1 ASN A 11 7.066 28.062 -14.317 1.00 0.00 O ATOM 137 ND2 ASN A 11 7.423 26.534 -12.800 1.00 0.00 N ATOM 0 H ASN A 11 10.830 29.858 -11.604 1.00 0.00 H new ATOM 0 HA ASN A 11 10.114 27.681 -13.550 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.545 28.451 -11.472 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.110 29.720 -12.599 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.822 25.874 -13.293 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.879 26.257 -11.931 1.00 0.00 H new ATOM 144 N PRO A 12 10.202 29.286 -15.448 1.00 0.00 N ATOM 145 CA PRO A 12 10.327 30.188 -16.606 1.00 0.00 C ATOM 146 C PRO A 12 8.949 30.726 -17.008 1.00 0.00 C ATOM 147 O PRO A 12 8.751 31.918 -17.136 1.00 0.00 O ATOM 148 CB PRO A 12 10.907 29.289 -17.702 1.00 0.00 C ATOM 149 CG PRO A 12 10.557 27.836 -17.304 1.00 0.00 C ATOM 150 CD PRO A 12 10.274 27.849 -15.791 1.00 0.00 C ATOM 0 HA PRO A 12 10.950 31.061 -16.409 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.482 29.539 -18.674 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.986 29.421 -17.782 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.687 27.482 -17.858 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.380 27.161 -17.538 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.341 27.336 -15.556 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.064 27.346 -15.234 1.00 0.00 H new ATOM 158 N CYS A 13 7.995 29.856 -17.203 1.00 0.00 N ATOM 159 CA CYS A 13 6.633 30.320 -17.591 1.00 0.00 C ATOM 160 C CYS A 13 6.122 31.309 -16.543 1.00 0.00 C ATOM 161 O CYS A 13 5.763 32.428 -16.853 1.00 0.00 O ATOM 162 CB CYS A 13 5.687 29.120 -17.670 1.00 0.00 C ATOM 163 SG CYS A 13 5.570 28.559 -19.387 1.00 0.00 S ATOM 0 H CYS A 13 8.100 28.846 -17.110 1.00 0.00 H new ATOM 0 HA CYS A 13 6.675 30.809 -18.564 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.053 28.312 -17.036 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.700 29.396 -17.298 1.00 0.00 H new ATOM 168 N CYS A 14 6.094 30.907 -15.301 1.00 0.00 N ATOM 169 CA CYS A 14 5.616 31.827 -14.231 1.00 0.00 C ATOM 170 C CYS A 14 6.741 32.809 -13.888 1.00 0.00 C ATOM 171 O CYS A 14 7.757 32.439 -13.333 1.00 0.00 O ATOM 172 CB CYS A 14 5.181 30.988 -13.004 1.00 0.00 C ATOM 173 SG CYS A 14 5.989 31.531 -11.468 1.00 0.00 S ATOM 0 H CYS A 14 6.381 29.982 -14.982 1.00 0.00 H new ATOM 0 HA CYS A 14 4.753 32.405 -14.563 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.100 31.057 -12.886 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.416 29.939 -13.183 1.00 0.00 H new ATOM 178 N ASP A 15 6.565 34.060 -14.208 1.00 0.00 N ATOM 179 CA ASP A 15 7.622 35.055 -13.889 1.00 0.00 C ATOM 180 C ASP A 15 7.804 35.098 -12.374 1.00 0.00 C ATOM 181 O ASP A 15 6.902 35.461 -11.645 1.00 0.00 O ATOM 182 CB ASP A 15 7.197 36.435 -14.396 1.00 0.00 C ATOM 183 CG ASP A 15 7.976 36.773 -15.666 1.00 0.00 C ATOM 184 OD1 ASP A 15 7.721 36.144 -16.681 1.00 0.00 O ATOM 185 OD2 ASP A 15 8.818 37.655 -15.605 1.00 0.00 O ATOM 0 H ASP A 15 5.739 34.434 -14.674 1.00 0.00 H new ATOM 0 HA ASP A 15 8.559 34.774 -14.370 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.126 36.445 -14.600 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.383 37.189 -13.631 1.00 0.00 H new ATOM 190 N ALA A 16 8.957 34.715 -11.892 1.00 0.00 N ATOM 191 CA ALA A 16 9.190 34.721 -10.420 1.00 0.00 C ATOM 192 C ALA A 16 8.889 36.111 -9.855 1.00 0.00 C ATOM 193 O ALA A 16 8.494 36.252 -8.715 1.00 0.00 O ATOM 194 CB ALA A 16 10.648 34.355 -10.132 1.00 0.00 C ATOM 0 H ALA A 16 9.747 34.399 -12.455 1.00 0.00 H new ATOM 0 HA ALA A 16 8.532 33.991 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.818 34.359 -9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.859 33.362 -10.529 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.306 35.083 -10.607 1.00 0.00 H new ATOM 200 N ALA A 17 9.069 37.138 -10.640 1.00 0.00 N ATOM 201 CA ALA A 17 8.786 38.512 -10.138 1.00 0.00 C ATOM 202 C ALA A 17 7.307 38.619 -9.763 1.00 0.00 C ATOM 203 O ALA A 17 6.941 39.300 -8.826 1.00 0.00 O ATOM 204 CB ALA A 17 9.114 39.534 -11.229 1.00 0.00 C ATOM 0 H ALA A 17 9.399 37.085 -11.604 1.00 0.00 H new ATOM 0 HA ALA A 17 9.400 38.713 -9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.907 40.539 -10.861 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.168 39.456 -11.496 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.501 39.336 -12.109 1.00 0.00 H new ATOM 210 N THR A 18 6.453 37.950 -10.489 1.00 0.00 N ATOM 211 CA THR A 18 4.997 38.010 -10.176 1.00 0.00 C ATOM 212 C THR A 18 4.454 36.590 -10.000 1.00 0.00 C ATOM 213 O THR A 18 3.258 36.371 -10.017 1.00 0.00 O ATOM 214 CB THR A 18 4.256 38.701 -11.324 1.00 0.00 C ATOM 215 OG1 THR A 18 2.866 38.419 -11.227 1.00 0.00 O ATOM 216 CG2 THR A 18 4.791 38.186 -12.661 1.00 0.00 C ATOM 0 H THR A 18 6.701 37.364 -11.286 1.00 0.00 H new ATOM 0 HA THR A 18 4.846 38.573 -9.255 1.00 0.00 H new ATOM 0 HB THR A 18 4.413 39.778 -11.263 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.694 37.898 -10.415 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.263 38.678 -13.478 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.857 38.403 -12.734 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.635 37.109 -12.725 1.00 0.00 H new ATOM 224 N CYS A 19 5.326 35.625 -9.837 1.00 0.00 N ATOM 225 CA CYS A 19 4.882 34.209 -9.658 1.00 0.00 C ATOM 226 C CYS A 19 3.686 33.925 -10.567 1.00 0.00 C ATOM 227 O CYS A 19 2.810 33.159 -10.228 1.00 0.00 O ATOM 228 CB CYS A 19 4.503 33.942 -8.189 1.00 0.00 C ATOM 229 SG CYS A 19 3.507 35.305 -7.529 1.00 0.00 S ATOM 0 H CYS A 19 6.337 35.761 -9.820 1.00 0.00 H new ATOM 0 HA CYS A 19 5.705 33.547 -9.927 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.945 33.008 -8.116 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.406 33.822 -7.591 1.00 0.00 H new ATOM 234 N LYS A 20 3.636 34.537 -11.717 1.00 0.00 N ATOM 235 CA LYS A 20 2.480 34.295 -12.631 1.00 0.00 C ATOM 236 C LYS A 20 2.978 33.984 -14.045 1.00 0.00 C ATOM 237 O LYS A 20 3.958 34.537 -14.505 1.00 0.00 O ATOM 238 CB LYS A 20 1.593 35.542 -12.663 1.00 0.00 C ATOM 239 CG LYS A 20 0.141 35.148 -12.385 1.00 0.00 C ATOM 240 CD LYS A 20 -0.485 34.571 -13.656 1.00 0.00 C ATOM 241 CE LYS A 20 -1.510 35.557 -14.216 1.00 0.00 C ATOM 242 NZ LYS A 20 -2.766 35.474 -13.419 1.00 0.00 N ATOM 0 H LYS A 20 4.339 35.190 -12.064 1.00 0.00 H new ATOM 0 HA LYS A 20 1.907 33.443 -12.265 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.934 36.262 -11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.668 36.029 -13.635 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.100 34.413 -11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.425 36.017 -12.051 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.289 34.375 -14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.965 33.617 -13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.111 36.571 -14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.715 35.330 -15.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.464 36.145 -13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.148 34.508 -13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.564 35.711 -12.427 1.00 0.00 H new ATOM 256 N LEU A 21 2.305 33.102 -14.738 1.00 0.00 N ATOM 257 CA LEU A 21 2.731 32.754 -16.124 1.00 0.00 C ATOM 258 C LEU A 21 2.511 33.958 -17.041 1.00 0.00 C ATOM 259 O LEU A 21 1.405 34.438 -17.204 1.00 0.00 O ATOM 260 CB LEU A 21 1.916 31.556 -16.622 1.00 0.00 C ATOM 261 CG LEU A 21 1.686 30.579 -15.470 1.00 0.00 C ATOM 262 CD1 LEU A 21 0.197 30.541 -15.119 1.00 0.00 C ATOM 263 CD2 LEU A 21 2.147 29.182 -15.888 1.00 0.00 C ATOM 0 H LEU A 21 1.478 32.608 -14.402 1.00 0.00 H new ATOM 0 HA LEU A 21 3.789 32.491 -16.129 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.960 31.894 -17.022 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.443 31.057 -17.435 1.00 0.00 H new ATOM 0 HG LEU A 21 2.255 30.905 -14.599 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.035 29.844 -14.297 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.132 31.536 -14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.374 30.216 -15.989 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.983 28.484 -15.067 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.579 28.857 -16.759 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.208 29.208 -16.136 1.00 0.00 H new ATOM 275 N ARG A 22 3.563 34.459 -17.632 1.00 0.00 N ATOM 276 CA ARG A 22 3.433 35.643 -18.528 1.00 0.00 C ATOM 277 C ARG A 22 2.882 35.225 -19.898 1.00 0.00 C ATOM 278 O ARG A 22 1.928 35.804 -20.378 1.00 0.00 O ATOM 279 CB ARG A 22 4.806 36.294 -18.713 1.00 0.00 C ATOM 280 CG ARG A 22 4.685 37.807 -18.516 1.00 0.00 C ATOM 281 CD ARG A 22 5.032 38.165 -17.068 1.00 0.00 C ATOM 282 NE ARG A 22 4.848 39.629 -16.860 1.00 0.00 N ATOM 283 CZ ARG A 22 3.664 40.161 -16.981 1.00 0.00 C ATOM 284 NH1 ARG A 22 2.674 39.724 -16.251 1.00 0.00 N ATOM 285 NH2 ARG A 22 3.468 41.130 -17.833 1.00 0.00 N ATOM 0 H ARG A 22 4.511 34.097 -17.532 1.00 0.00 H new ATOM 0 HA ARG A 22 2.742 36.352 -18.072 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.516 35.879 -17.998 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.192 36.076 -19.709 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.354 38.328 -19.201 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.672 38.135 -18.750 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.395 37.607 -16.382 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.062 37.882 -16.849 1.00 0.00 H new ATOM 0 HE ARG A 22 5.649 40.215 -16.623 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.827 38.966 -15.586 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.748 40.140 -16.346 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.241 41.471 -18.404 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.542 41.546 -17.928 1.00 0.00 H new ATOM 299 N PRO A 23 3.506 34.241 -20.495 1.00 0.00 N ATOM 300 CA PRO A 23 3.102 33.740 -21.821 1.00 0.00 C ATOM 301 C PRO A 23 1.843 32.874 -21.717 1.00 0.00 C ATOM 302 O PRO A 23 1.369 32.577 -20.639 1.00 0.00 O ATOM 303 CB PRO A 23 4.312 32.920 -22.281 1.00 0.00 C ATOM 304 CG PRO A 23 5.093 32.538 -21.002 1.00 0.00 C ATOM 305 CD PRO A 23 4.664 33.534 -19.908 1.00 0.00 C ATOM 0 HA PRO A 23 2.849 34.537 -22.520 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.994 32.029 -22.822 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.938 33.499 -22.960 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.869 31.514 -20.703 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.168 32.592 -21.174 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.391 33.020 -18.986 1.00 0.00 H new ATOM 0 HD3 PRO A 23 5.469 34.226 -19.661 1.00 0.00 H new ATOM 313 N GLY A 24 1.293 32.479 -22.836 1.00 0.00 N ATOM 314 CA GLY A 24 0.058 31.643 -22.814 1.00 0.00 C ATOM 315 C GLY A 24 0.338 30.321 -22.099 1.00 0.00 C ATOM 316 O GLY A 24 0.460 29.282 -22.717 1.00 0.00 O ATOM 0 H GLY A 24 1.648 32.701 -23.766 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.745 32.178 -22.307 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.280 31.451 -23.832 1.00 0.00 H new ATOM 320 N ALA A 25 0.438 30.350 -20.799 1.00 0.00 N ATOM 321 CA ALA A 25 0.707 29.097 -20.043 1.00 0.00 C ATOM 322 C ALA A 25 -0.488 28.790 -19.139 1.00 0.00 C ATOM 323 O ALA A 25 -1.319 29.639 -18.884 1.00 0.00 O ATOM 324 CB ALA A 25 1.965 29.281 -19.195 1.00 0.00 C ATOM 0 H ALA A 25 0.345 31.190 -20.227 1.00 0.00 H new ATOM 0 HA ALA A 25 0.858 28.269 -20.736 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.166 28.365 -18.639 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.812 29.505 -19.844 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.816 30.104 -18.496 1.00 0.00 H new ATOM 330 N GLN A 26 -0.587 27.582 -18.658 1.00 0.00 N ATOM 331 CA GLN A 26 -1.735 27.221 -17.779 1.00 0.00 C ATOM 332 C GLN A 26 -1.282 27.203 -16.319 1.00 0.00 C ATOM 333 O GLN A 26 -1.859 27.857 -15.472 1.00 0.00 O ATOM 334 CB GLN A 26 -2.251 25.835 -18.165 1.00 0.00 C ATOM 335 CG GLN A 26 -3.212 25.955 -19.349 1.00 0.00 C ATOM 336 CD GLN A 26 -3.594 24.559 -19.840 1.00 0.00 C ATOM 337 OE1 GLN A 26 -2.894 23.599 -19.582 1.00 0.00 O ATOM 338 NE2 GLN A 26 -4.683 24.401 -20.540 1.00 0.00 N ATOM 0 H GLN A 26 0.077 26.829 -18.835 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.529 27.958 -17.902 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.416 25.185 -18.426 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.759 25.376 -17.317 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.105 26.504 -19.052 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.744 26.520 -20.155 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.271 25.206 -20.757 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.947 23.473 -20.870 1.00 0.00 H new ATOM 347 N CYS A 27 -0.258 26.454 -16.014 1.00 0.00 N ATOM 348 CA CYS A 27 0.221 26.391 -14.604 1.00 0.00 C ATOM 349 C CYS A 27 1.743 26.259 -14.576 1.00 0.00 C ATOM 350 O CYS A 27 2.336 25.577 -15.388 1.00 0.00 O ATOM 351 CB CYS A 27 -0.402 25.180 -13.895 1.00 0.00 C ATOM 352 SG CYS A 27 -0.664 23.829 -15.077 1.00 0.00 S ATOM 0 H CYS A 27 0.266 25.884 -16.678 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.075 27.307 -14.092 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.251 24.846 -13.089 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.351 25.464 -13.440 1.00 0.00 H new ATOM 357 N GLY A 28 2.381 26.903 -13.639 1.00 0.00 N ATOM 358 CA GLY A 28 3.864 26.807 -13.544 1.00 0.00 C ATOM 359 C GLY A 28 4.232 25.615 -12.662 1.00 0.00 C ATOM 360 O GLY A 28 5.291 25.033 -12.795 1.00 0.00 O ATOM 0 H GLY A 28 1.939 27.493 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.298 26.688 -14.537 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.274 27.726 -13.125 1.00 0.00 H new ATOM 364 N GLU A 29 3.363 25.245 -11.764 1.00 0.00 N ATOM 365 CA GLU A 29 3.660 24.091 -10.875 1.00 0.00 C ATOM 366 C GLU A 29 2.383 23.281 -10.644 1.00 0.00 C ATOM 367 O GLU A 29 1.289 23.745 -10.895 1.00 0.00 O ATOM 368 CB GLU A 29 4.189 24.608 -9.538 1.00 0.00 C ATOM 369 CG GLU A 29 5.128 23.570 -8.927 1.00 0.00 C ATOM 370 CD GLU A 29 6.377 23.433 -9.800 1.00 0.00 C ATOM 371 OE1 GLU A 29 6.319 22.700 -10.773 1.00 0.00 O ATOM 372 OE2 GLU A 29 7.370 24.066 -9.480 1.00 0.00 O ATOM 0 H GLU A 29 2.460 25.693 -11.608 1.00 0.00 H new ATOM 0 HA GLU A 29 4.411 23.453 -11.342 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.717 25.551 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.360 24.808 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.409 23.868 -7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.621 22.609 -8.846 1.00 0.00 H new ATOM 379 N GLY A 30 2.512 22.073 -10.168 1.00 0.00 N ATOM 380 CA GLY A 30 1.304 21.235 -9.921 1.00 0.00 C ATOM 381 C GLY A 30 1.681 19.756 -10.033 1.00 0.00 C ATOM 382 O GLY A 30 2.687 19.406 -10.615 1.00 0.00 O ATOM 0 H GLY A 30 3.402 21.630 -9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.898 21.445 -8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.525 21.479 -10.643 1.00 0.00 H new ATOM 386 N LEU A 31 0.882 18.884 -9.480 1.00 0.00 N ATOM 387 CA LEU A 31 1.201 17.432 -9.562 1.00 0.00 C ATOM 388 C LEU A 31 1.023 16.956 -11.003 1.00 0.00 C ATOM 389 O LEU A 31 1.398 15.854 -11.354 1.00 0.00 O ATOM 390 CB LEU A 31 0.260 16.646 -8.646 1.00 0.00 C ATOM 391 CG LEU A 31 0.847 16.591 -7.235 1.00 0.00 C ATOM 392 CD1 LEU A 31 -0.065 15.753 -6.337 1.00 0.00 C ATOM 393 CD2 LEU A 31 2.238 15.955 -7.284 1.00 0.00 C ATOM 0 H LEU A 31 0.025 19.114 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 31 2.231 17.268 -9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.722 17.119 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.119 15.636 -9.032 1.00 0.00 H new ATOM 0 HG LEU A 31 0.924 17.602 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.352 15.713 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.056 16.206 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.142 14.743 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.656 15.916 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.162 14.944 -7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.888 16.551 -7.924 1.00 0.00 H new ATOM 405 N CYS A 32 0.452 17.776 -11.844 1.00 0.00 N ATOM 406 CA CYS A 32 0.252 17.364 -13.261 1.00 0.00 C ATOM 407 C CYS A 32 0.255 18.597 -14.164 1.00 0.00 C ATOM 408 O CYS A 32 -0.764 19.000 -14.689 1.00 0.00 O ATOM 409 CB CYS A 32 -1.079 16.629 -13.396 1.00 0.00 C ATOM 410 SG CYS A 32 -0.769 14.847 -13.422 1.00 0.00 S ATOM 0 H CYS A 32 0.117 18.711 -11.611 1.00 0.00 H new ATOM 0 HA CYS A 32 1.063 16.700 -13.561 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.736 16.885 -12.565 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.587 16.936 -14.310 1.00 0.00 H new ATOM 415 N CYS A 33 1.398 19.191 -14.352 1.00 0.00 N ATOM 416 CA CYS A 33 1.488 20.393 -15.224 1.00 0.00 C ATOM 417 C CYS A 33 2.855 20.393 -15.914 1.00 0.00 C ATOM 418 O CYS A 33 3.841 20.836 -15.358 1.00 0.00 O ATOM 419 CB CYS A 33 1.332 21.657 -14.372 1.00 0.00 C ATOM 420 SG CYS A 33 1.187 23.104 -15.449 1.00 0.00 S ATOM 0 H CYS A 33 2.280 18.893 -13.936 1.00 0.00 H new ATOM 0 HA CYS A 33 0.697 20.375 -15.973 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.449 21.573 -13.738 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.190 21.769 -13.710 1.00 0.00 H new ATOM 425 N GLU A 34 2.924 19.889 -17.116 1.00 0.00 N ATOM 426 CA GLU A 34 4.225 19.847 -17.835 1.00 0.00 C ATOM 427 C GLU A 34 4.179 20.812 -19.017 1.00 0.00 C ATOM 428 O GLU A 34 3.177 20.936 -19.693 1.00 0.00 O ATOM 429 CB GLU A 34 4.482 18.425 -18.343 1.00 0.00 C ATOM 430 CG GLU A 34 5.630 18.438 -19.354 1.00 0.00 C ATOM 431 CD GLU A 34 6.518 17.212 -19.135 1.00 0.00 C ATOM 432 OE1 GLU A 34 6.186 16.410 -18.279 1.00 0.00 O ATOM 433 OE2 GLU A 34 7.516 17.095 -19.829 1.00 0.00 O ATOM 0 H GLU A 34 2.132 19.504 -17.631 1.00 0.00 H new ATOM 0 HA GLU A 34 5.027 20.139 -17.157 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.728 17.769 -17.508 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.580 18.026 -18.807 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.234 18.436 -20.370 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.217 19.350 -19.242 1.00 0.00 H new ATOM 440 N GLN A 35 5.254 21.499 -19.271 1.00 0.00 N ATOM 441 CA GLN A 35 5.270 22.455 -20.408 1.00 0.00 C ATOM 442 C GLN A 35 4.300 23.600 -20.116 1.00 0.00 C ATOM 443 O GLN A 35 3.710 24.171 -21.012 1.00 0.00 O ATOM 444 CB GLN A 35 4.846 21.735 -21.689 1.00 0.00 C ATOM 445 CG GLN A 35 6.072 21.505 -22.576 1.00 0.00 C ATOM 446 CD GLN A 35 5.860 20.250 -23.424 1.00 0.00 C ATOM 447 OE1 GLN A 35 4.978 19.460 -23.149 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.636 20.029 -24.450 1.00 0.00 N ATOM 0 H GLN A 35 6.123 21.440 -18.740 1.00 0.00 H new ATOM 0 HA GLN A 35 6.276 22.853 -20.538 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.377 20.782 -21.445 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.104 22.328 -22.223 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.235 22.369 -23.220 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.964 21.394 -21.960 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.376 20.691 -24.682 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.502 19.194 -25.020 1.00 0.00 H new ATOM 457 N CYS A 36 4.130 23.940 -18.868 1.00 0.00 N ATOM 458 CA CYS A 36 3.200 25.047 -18.514 1.00 0.00 C ATOM 459 C CYS A 36 1.764 24.635 -18.844 1.00 0.00 C ATOM 460 O CYS A 36 0.854 25.439 -18.807 1.00 0.00 O ATOM 461 CB CYS A 36 3.566 26.297 -19.314 1.00 0.00 C ATOM 462 SG CYS A 36 5.354 26.556 -19.240 1.00 0.00 S ATOM 0 H CYS A 36 4.597 23.497 -18.077 1.00 0.00 H new ATOM 0 HA CYS A 36 3.281 25.260 -17.448 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.246 26.186 -20.350 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.045 27.165 -18.911 1.00 0.00 H new ATOM 467 N LYS A 37 1.553 23.389 -19.166 1.00 0.00 N ATOM 468 CA LYS A 37 0.175 22.931 -19.497 1.00 0.00 C ATOM 469 C LYS A 37 -0.215 21.778 -18.570 1.00 0.00 C ATOM 470 O LYS A 37 0.626 21.141 -17.968 1.00 0.00 O ATOM 471 CB LYS A 37 0.126 22.464 -20.954 1.00 0.00 C ATOM 472 CG LYS A 37 -0.167 23.664 -21.857 1.00 0.00 C ATOM 473 CD LYS A 37 -0.658 23.177 -23.222 1.00 0.00 C ATOM 474 CE LYS A 37 -0.763 24.367 -24.178 1.00 0.00 C ATOM 475 NZ LYS A 37 -1.423 23.936 -25.443 1.00 0.00 N ATOM 0 H LYS A 37 2.274 22.669 -19.214 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.525 23.755 -19.361 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.075 22.006 -21.234 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.644 21.703 -21.079 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.920 24.303 -21.396 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.732 24.268 -21.978 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.030 22.433 -23.624 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.629 22.692 -23.120 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.335 25.170 -23.713 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.230 24.764 -24.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.493 24.746 -26.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.861 23.183 -25.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.376 23.577 -25.232 1.00 0.00 H new ATOM 489 N PHE A 38 -1.486 21.507 -18.448 1.00 0.00 N ATOM 490 CA PHE A 38 -1.924 20.399 -17.556 1.00 0.00 C ATOM 491 C PHE A 38 -1.469 19.064 -18.145 1.00 0.00 C ATOM 492 O PHE A 38 -1.421 18.889 -19.346 1.00 0.00 O ATOM 493 CB PHE A 38 -3.451 20.410 -17.438 1.00 0.00 C ATOM 494 CG PHE A 38 -3.914 21.785 -17.017 1.00 0.00 C ATOM 495 CD1 PHE A 38 -3.297 22.430 -15.939 1.00 0.00 C ATOM 496 CD2 PHE A 38 -4.962 22.413 -17.702 1.00 0.00 C ATOM 497 CE1 PHE A 38 -3.726 23.704 -15.547 1.00 0.00 C ATOM 498 CE2 PHE A 38 -5.390 23.687 -17.309 1.00 0.00 C ATOM 499 CZ PHE A 38 -4.773 24.332 -16.232 1.00 0.00 C ATOM 0 H PHE A 38 -2.237 22.004 -18.926 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.483 20.532 -16.568 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.902 20.139 -18.393 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.775 19.667 -16.710 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.490 21.945 -15.410 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.440 21.915 -18.533 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.249 24.202 -14.716 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.197 24.172 -17.838 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.104 25.314 -15.929 1.00 0.00 H new ATOM 509 N SER A 39 -1.130 18.121 -17.309 1.00 0.00 N ATOM 510 CA SER A 39 -0.675 16.800 -17.821 1.00 0.00 C ATOM 511 C SER A 39 -1.796 16.166 -18.657 1.00 0.00 C ATOM 512 O SER A 39 -2.231 16.728 -19.643 1.00 0.00 O ATOM 513 CB SER A 39 -0.318 15.898 -16.636 1.00 0.00 C ATOM 514 OG SER A 39 0.207 14.670 -17.123 1.00 0.00 O ATOM 0 H SER A 39 -1.149 18.210 -16.293 1.00 0.00 H new ATOM 0 HA SER A 39 0.206 16.925 -18.450 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.413 16.391 -15.996 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.202 15.713 -16.026 1.00 0.00 H new ATOM 0 HG SER A 39 1.059 14.479 -16.678 1.00 0.00 H new ATOM 520 N ARG A 40 -2.273 15.006 -18.285 1.00 0.00 N ATOM 521 CA ARG A 40 -3.361 14.367 -19.075 1.00 0.00 C ATOM 522 C ARG A 40 -4.442 13.852 -18.123 1.00 0.00 C ATOM 523 O ARG A 40 -4.194 13.619 -16.956 1.00 0.00 O ATOM 524 CB ARG A 40 -2.792 13.196 -19.878 1.00 0.00 C ATOM 525 CG ARG A 40 -2.537 13.642 -21.319 1.00 0.00 C ATOM 526 CD ARG A 40 -2.232 12.420 -22.186 1.00 0.00 C ATOM 527 NE ARG A 40 -1.200 12.776 -23.201 1.00 0.00 N ATOM 528 CZ ARG A 40 -1.477 13.638 -24.144 1.00 0.00 C ATOM 529 NH1 ARG A 40 -2.687 14.108 -24.268 1.00 0.00 N ATOM 530 NH2 ARG A 40 -0.538 14.030 -24.962 1.00 0.00 N ATOM 0 H ARG A 40 -1.956 14.478 -17.472 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.792 15.099 -19.758 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.864 12.847 -19.425 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.489 12.358 -19.863 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.409 14.168 -21.708 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.702 14.342 -21.352 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.877 11.599 -21.564 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.140 12.076 -22.681 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.276 12.346 -23.160 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.421 13.803 -23.628 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.900 14.780 -25.005 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.409 13.664 -24.864 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.751 14.702 -25.699 1.00 0.00 H new ATOM 544 N ALA A 41 -5.639 13.671 -18.609 1.00 0.00 N ATOM 545 CA ALA A 41 -6.729 13.169 -17.729 1.00 0.00 C ATOM 546 C ALA A 41 -6.402 11.741 -17.290 1.00 0.00 C ATOM 547 O ALA A 41 -6.057 10.898 -18.094 1.00 0.00 O ATOM 548 CB ALA A 41 -8.052 13.183 -18.496 1.00 0.00 C ATOM 0 H ALA A 41 -5.908 13.849 -19.577 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.817 13.809 -16.851 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.850 12.815 -17.851 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.280 14.202 -18.810 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.970 12.542 -19.374 1.00 0.00 H new ATOM 554 N GLY A 42 -6.501 11.463 -16.019 1.00 0.00 N ATOM 555 CA GLY A 42 -6.187 10.091 -15.530 1.00 0.00 C ATOM 556 C GLY A 42 -4.673 9.952 -15.364 1.00 0.00 C ATOM 557 O GLY A 42 -4.134 8.862 -15.356 1.00 0.00 O ATOM 0 H GLY A 42 -6.786 12.126 -15.298 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.688 9.907 -14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.558 9.347 -16.235 1.00 0.00 H new ATOM 561 N LYS A 43 -3.982 11.051 -15.230 1.00 0.00 N ATOM 562 CA LYS A 43 -2.502 10.988 -15.063 1.00 0.00 C ATOM 563 C LYS A 43 -2.175 10.634 -13.612 1.00 0.00 C ATOM 564 O LYS A 43 -2.686 11.229 -12.692 1.00 0.00 O ATOM 565 CB LYS A 43 -1.893 12.347 -15.408 1.00 0.00 C ATOM 566 CG LYS A 43 -0.418 12.360 -15.009 1.00 0.00 C ATOM 567 CD LYS A 43 0.320 11.247 -15.758 1.00 0.00 C ATOM 568 CE LYS A 43 1.743 11.116 -15.210 1.00 0.00 C ATOM 569 NZ LYS A 43 2.345 9.842 -15.695 1.00 0.00 N ATOM 0 H LYS A 43 -4.379 11.991 -15.229 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.089 10.228 -15.727 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.994 12.542 -16.476 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.429 13.140 -14.887 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.025 13.328 -15.244 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.319 12.217 -13.933 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.213 10.303 -15.644 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.349 11.470 -16.825 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.348 11.963 -15.533 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.728 11.132 -14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.312 9.751 -15.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.771 9.039 -15.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.372 9.845 -16.735 1.00 0.00 H new ATOM 583 N ILE A 44 -1.331 9.669 -13.394 1.00 0.00 N ATOM 584 CA ILE A 44 -0.995 9.286 -11.995 1.00 0.00 C ATOM 585 C ILE A 44 -0.398 10.487 -11.256 1.00 0.00 C ATOM 586 O ILE A 44 0.509 11.139 -11.733 1.00 0.00 O ATOM 587 CB ILE A 44 0.022 8.149 -12.018 1.00 0.00 C ATOM 588 CG1 ILE A 44 -0.673 6.851 -12.434 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.640 7.974 -10.628 1.00 0.00 C ATOM 590 CD1 ILE A 44 -1.701 6.459 -11.372 1.00 0.00 C ATOM 0 H ILE A 44 -0.860 9.129 -14.120 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.900 8.963 -11.481 1.00 0.00 H new ATOM 0 HB ILE A 44 0.810 8.388 -12.733 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.163 6.982 -13.399 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.062 6.055 -12.555 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.365 7.161 -10.652 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.140 8.897 -10.333 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.144 7.740 -9.908 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.196 5.534 -11.669 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.198 6.311 -10.416 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.442 7.252 -11.273 1.00 0.00 H new ATOM 602 N CYS A 45 -0.900 10.774 -10.088 1.00 0.00 N ATOM 603 CA CYS A 45 -0.370 11.922 -9.300 1.00 0.00 C ATOM 604 C CYS A 45 0.212 11.405 -7.981 1.00 0.00 C ATOM 605 O CYS A 45 1.185 11.926 -7.474 1.00 0.00 O ATOM 606 CB CYS A 45 -1.504 12.906 -9.003 1.00 0.00 C ATOM 607 SG CYS A 45 -3.005 11.986 -8.590 1.00 0.00 S ATOM 0 H CYS A 45 -1.660 10.260 -9.642 1.00 0.00 H new ATOM 0 HA CYS A 45 0.408 12.427 -9.872 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.226 13.560 -8.176 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.682 13.545 -9.868 1.00 0.00 H new ATOM 612 N ARG A 46 -0.380 10.384 -7.419 1.00 0.00 N ATOM 613 CA ARG A 46 0.134 9.836 -6.132 1.00 0.00 C ATOM 614 C ARG A 46 -0.056 8.319 -6.107 1.00 0.00 C ATOM 615 O ARG A 46 -1.077 7.802 -6.514 1.00 0.00 O ATOM 616 CB ARG A 46 -0.640 10.462 -4.970 1.00 0.00 C ATOM 617 CG ARG A 46 0.086 11.718 -4.490 1.00 0.00 C ATOM 618 CD ARG A 46 -0.675 12.326 -3.311 1.00 0.00 C ATOM 619 NE ARG A 46 0.104 13.469 -2.755 1.00 0.00 N ATOM 620 CZ ARG A 46 -0.083 13.845 -1.519 1.00 0.00 C ATOM 621 NH1 ARG A 46 -1.291 14.080 -1.083 1.00 0.00 N ATOM 622 NH2 ARG A 46 0.939 13.986 -0.719 1.00 0.00 N ATOM 0 H ARG A 46 -1.198 9.906 -7.797 1.00 0.00 H new ATOM 0 HA ARG A 46 1.194 10.070 -6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.652 10.713 -5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.730 9.747 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.105 11.471 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.159 12.442 -5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.659 12.666 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.836 11.572 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 46 0.783 13.957 -3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.089 13.970 -1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.436 14.374 -0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.883 13.802 -1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.794 14.280 0.247 1.00 0.00 H new ATOM 636 N ILE A 47 0.924 7.607 -5.628 1.00 0.00 N ATOM 637 CA ILE A 47 0.812 6.125 -5.567 1.00 0.00 C ATOM 638 C ILE A 47 1.476 5.635 -4.263 1.00 0.00 C ATOM 639 O ILE A 47 2.688 5.582 -4.170 1.00 0.00 O ATOM 640 CB ILE A 47 1.488 5.529 -6.821 1.00 0.00 C ATOM 641 CG1 ILE A 47 0.414 4.900 -7.712 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.518 4.460 -6.453 1.00 0.00 C ATOM 643 CD1 ILE A 47 -0.221 3.712 -6.987 1.00 0.00 C ATOM 0 H ILE A 47 1.801 7.990 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.229 5.802 -5.558 1.00 0.00 H new ATOM 0 HB ILE A 47 2.006 6.333 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.348 5.639 -7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.854 4.572 -8.653 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.972 4.064 -7.361 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.291 4.901 -5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.026 3.652 -5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.986 3.265 -7.622 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.545 2.970 -6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.676 4.054 -6.057 1.00 0.00 H new ATOM 655 N PRO A 48 0.662 5.308 -3.291 1.00 0.00 N ATOM 656 CA PRO A 48 1.136 4.836 -1.979 1.00 0.00 C ATOM 657 C PRO A 48 1.420 3.333 -2.036 1.00 0.00 C ATOM 658 O PRO A 48 2.513 2.907 -2.356 1.00 0.00 O ATOM 659 CB PRO A 48 -0.047 5.129 -1.052 1.00 0.00 C ATOM 660 CG PRO A 48 -1.305 5.198 -1.957 1.00 0.00 C ATOM 661 CD PRO A 48 -0.806 5.385 -3.403 1.00 0.00 C ATOM 0 HA PRO A 48 2.059 5.314 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.153 4.348 -0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.100 6.068 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.896 4.286 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.949 6.026 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.196 4.610 -4.063 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.125 6.343 -3.814 1.00 0.00 H new ATOM 669 N ARG A 49 0.437 2.526 -1.737 1.00 0.00 N ATOM 670 CA ARG A 49 0.636 1.053 -1.784 1.00 0.00 C ATOM 671 C ARG A 49 -0.219 0.484 -2.916 1.00 0.00 C ATOM 672 O ARG A 49 -1.071 1.161 -3.456 1.00 0.00 O ATOM 673 CB ARG A 49 0.200 0.436 -0.453 1.00 0.00 C ATOM 674 CG ARG A 49 1.433 -0.015 0.332 1.00 0.00 C ATOM 675 CD ARG A 49 2.044 -1.248 -0.335 1.00 0.00 C ATOM 676 NE ARG A 49 2.497 -2.206 0.713 1.00 0.00 N ATOM 677 CZ ARG A 49 3.497 -3.009 0.473 1.00 0.00 C ATOM 678 NH1 ARG A 49 3.649 -3.523 -0.717 1.00 0.00 N ATOM 679 NH2 ARG A 49 4.345 -3.298 1.423 1.00 0.00 N ATOM 0 H ARG A 49 -0.498 2.827 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 49 1.687 0.822 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.367 1.163 0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.460 -0.413 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.166 0.791 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.157 -0.245 1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.310 -1.724 -0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.885 -0.956 -0.964 1.00 0.00 H new ATOM 0 HE ARG A 49 2.026 -2.234 1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.986 -3.297 -1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.431 -4.151 -0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.226 -2.896 2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.127 -3.926 1.235 1.00 0.00 H new ATOM 693 N LEU A 50 -0.006 -0.747 -3.286 1.00 0.00 N ATOM 694 CA LEU A 50 -0.822 -1.325 -4.388 1.00 0.00 C ATOM 695 C LEU A 50 -2.059 -2.000 -3.819 1.00 0.00 C ATOM 696 O LEU A 50 -2.899 -2.491 -4.546 1.00 0.00 O ATOM 697 CB LEU A 50 0.005 -2.328 -5.175 1.00 0.00 C ATOM 698 CG LEU A 50 1.135 -1.598 -5.905 1.00 0.00 C ATOM 699 CD1 LEU A 50 0.653 -0.246 -6.448 1.00 0.00 C ATOM 700 CD2 LEU A 50 2.299 -1.370 -4.940 1.00 0.00 C ATOM 0 H LEU A 50 0.690 -1.372 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.134 -0.523 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.418 -3.081 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.626 -2.853 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 50 1.459 -2.214 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.474 0.253 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.169 -0.406 -7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.311 0.377 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.105 -0.850 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.961 -0.767 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.663 -2.331 -4.575 1.00 0.00 H new ATOM 712 N ASP A 51 -2.211 -1.981 -2.529 1.00 0.00 N ATOM 713 CA ASP A 51 -3.432 -2.569 -1.935 1.00 0.00 C ATOM 714 C ASP A 51 -4.516 -1.487 -1.968 1.00 0.00 C ATOM 715 O ASP A 51 -5.532 -1.587 -1.310 1.00 0.00 O ATOM 716 CB ASP A 51 -3.160 -2.987 -0.488 1.00 0.00 C ATOM 717 CG ASP A 51 -4.267 -3.931 -0.013 1.00 0.00 C ATOM 718 OD1 ASP A 51 -4.178 -5.111 -0.308 1.00 0.00 O ATOM 719 OD2 ASP A 51 -5.185 -3.457 0.635 1.00 0.00 O ATOM 0 H ASP A 51 -1.545 -1.586 -1.865 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.746 -3.453 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.191 -3.481 -0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.117 -2.107 0.154 1.00 0.00 H new ATOM 724 N MET A 52 -4.290 -0.444 -2.733 1.00 0.00 N ATOM 725 CA MET A 52 -5.284 0.661 -2.818 1.00 0.00 C ATOM 726 C MET A 52 -5.279 1.222 -4.243 1.00 0.00 C ATOM 727 O MET A 52 -4.424 0.877 -5.033 1.00 0.00 O ATOM 728 CB MET A 52 -4.888 1.761 -1.830 1.00 0.00 C ATOM 729 CG MET A 52 -5.695 1.609 -0.539 1.00 0.00 C ATOM 730 SD MET A 52 -4.563 1.523 0.871 1.00 0.00 S ATOM 731 CE MET A 52 -5.294 2.869 1.833 1.00 0.00 C ATOM 0 H MET A 52 -3.454 -0.315 -3.303 1.00 0.00 H new ATOM 0 HA MET A 52 -6.281 0.294 -2.574 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.822 1.701 -1.613 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.069 2.741 -2.270 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.376 2.452 -0.422 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.307 0.708 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.741 2.993 2.764 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.249 3.794 1.258 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.334 2.632 2.058 1.00 0.00 H new ATOM 741 N PRO A 53 -6.231 2.072 -4.530 1.00 0.00 N ATOM 742 CA PRO A 53 -6.351 2.696 -5.860 1.00 0.00 C ATOM 743 C PRO A 53 -5.289 3.786 -6.035 1.00 0.00 C ATOM 744 O PRO A 53 -4.884 4.431 -5.088 1.00 0.00 O ATOM 745 CB PRO A 53 -7.764 3.286 -5.855 1.00 0.00 C ATOM 746 CG PRO A 53 -8.160 3.456 -4.370 1.00 0.00 C ATOM 747 CD PRO A 53 -7.269 2.492 -3.565 1.00 0.00 C ATOM 0 HA PRO A 53 -6.197 1.997 -6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.787 4.244 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.462 2.626 -6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.010 4.485 -4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.215 3.225 -4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -6.831 2.985 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.837 1.639 -3.194 1.00 0.00 H new ATOM 755 N ASP A 54 -4.829 3.987 -7.240 1.00 0.00 N ATOM 756 CA ASP A 54 -3.786 5.025 -7.478 1.00 0.00 C ATOM 757 C ASP A 54 -4.452 6.366 -7.796 1.00 0.00 C ATOM 758 O ASP A 54 -5.377 6.441 -8.579 1.00 0.00 O ATOM 759 CB ASP A 54 -2.911 4.603 -8.660 1.00 0.00 C ATOM 760 CG ASP A 54 -2.536 3.127 -8.516 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.870 2.548 -7.495 1.00 0.00 O ATOM 762 OD2 ASP A 54 -1.921 2.601 -9.428 1.00 0.00 O ATOM 0 H ASP A 54 -5.131 3.477 -8.070 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.172 5.130 -6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.445 4.764 -9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.010 5.216 -8.697 1.00 0.00 H new ATOM 767 N ASP A 55 -3.981 7.427 -7.198 1.00 0.00 N ATOM 768 CA ASP A 55 -4.580 8.762 -7.473 1.00 0.00 C ATOM 769 C ASP A 55 -4.180 9.203 -8.882 1.00 0.00 C ATOM 770 O ASP A 55 -3.127 8.850 -9.375 1.00 0.00 O ATOM 771 CB ASP A 55 -4.061 9.775 -6.449 1.00 0.00 C ATOM 772 CG ASP A 55 -4.756 9.544 -5.105 1.00 0.00 C ATOM 773 OD1 ASP A 55 -5.972 9.625 -5.068 1.00 0.00 O ATOM 774 OD2 ASP A 55 -4.058 9.290 -4.136 1.00 0.00 O ATOM 0 H ASP A 55 -3.208 7.426 -6.532 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.666 8.704 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.982 9.672 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.249 10.790 -6.798 1.00 0.00 H new ATOM 779 N ARG A 56 -5.010 9.964 -9.542 1.00 0.00 N ATOM 780 CA ARG A 56 -4.665 10.408 -10.921 1.00 0.00 C ATOM 781 C ARG A 56 -5.050 11.879 -11.109 1.00 0.00 C ATOM 782 O ARG A 56 -5.717 12.470 -10.283 1.00 0.00 O ATOM 783 CB ARG A 56 -5.427 9.553 -11.934 1.00 0.00 C ATOM 784 CG ARG A 56 -5.254 8.073 -11.585 1.00 0.00 C ATOM 785 CD ARG A 56 -5.274 7.240 -12.867 1.00 0.00 C ATOM 786 NE ARG A 56 -6.512 6.412 -12.902 1.00 0.00 N ATOM 787 CZ ARG A 56 -6.432 5.114 -12.816 1.00 0.00 C ATOM 788 NH1 ARG A 56 -5.448 4.480 -13.395 1.00 0.00 N ATOM 789 NH2 ARG A 56 -7.336 4.445 -12.152 1.00 0.00 N ATOM 0 H ARG A 56 -5.907 10.296 -9.188 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.592 10.296 -11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.484 9.818 -11.927 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.056 9.746 -12.941 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.314 7.921 -11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.052 7.750 -10.917 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.236 7.893 -13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.394 6.599 -12.911 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.423 6.861 -12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.742 5.001 -13.915 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.386 3.464 -13.327 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.106 4.938 -11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.272 3.429 -12.086 1.00 0.00 H new ATOM 803 N CYS A 57 -4.629 12.468 -12.194 1.00 0.00 N ATOM 804 CA CYS A 57 -4.958 13.897 -12.456 1.00 0.00 C ATOM 805 C CYS A 57 -6.168 13.975 -13.388 1.00 0.00 C ATOM 806 O CYS A 57 -6.429 13.071 -14.158 1.00 0.00 O ATOM 807 CB CYS A 57 -3.759 14.574 -13.120 1.00 0.00 C ATOM 808 SG CYS A 57 -2.241 14.070 -12.278 1.00 0.00 S ATOM 0 H CYS A 57 -4.067 12.017 -12.916 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.189 14.400 -11.517 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.711 14.301 -14.174 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.869 15.658 -13.076 1.00 0.00 H new ATOM 813 N THR A 58 -6.910 15.047 -13.324 1.00 0.00 N ATOM 814 CA THR A 58 -8.106 15.183 -14.202 1.00 0.00 C ATOM 815 C THR A 58 -7.677 15.627 -15.602 1.00 0.00 C ATOM 816 O THR A 58 -8.452 15.592 -16.537 1.00 0.00 O ATOM 817 CB THR A 58 -9.057 16.225 -13.607 1.00 0.00 C ATOM 818 OG1 THR A 58 -8.325 17.397 -13.275 1.00 0.00 O ATOM 819 CG2 THR A 58 -9.714 15.658 -12.348 1.00 0.00 C ATOM 0 H THR A 58 -6.739 15.836 -12.700 1.00 0.00 H new ATOM 0 HA THR A 58 -8.612 14.220 -14.271 1.00 0.00 H new ATOM 0 HB THR A 58 -9.828 16.472 -14.336 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.903 18.183 -13.374 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.391 16.400 -11.925 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.275 14.759 -12.604 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.945 15.410 -11.617 1.00 0.00 H new ATOM 827 N GLY A 59 -6.452 16.048 -15.756 1.00 0.00 N ATOM 828 CA GLY A 59 -5.986 16.496 -17.098 1.00 0.00 C ATOM 829 C GLY A 59 -6.264 17.993 -17.252 1.00 0.00 C ATOM 830 O GLY A 59 -5.500 18.720 -17.855 1.00 0.00 O ATOM 0 H GLY A 59 -5.755 16.101 -15.013 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.920 16.298 -17.211 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.499 15.936 -17.880 1.00 0.00 H new ATOM 834 N GLN A 60 -7.353 18.461 -16.705 1.00 0.00 N ATOM 835 CA GLN A 60 -7.682 19.909 -16.812 1.00 0.00 C ATOM 836 C GLN A 60 -7.155 20.641 -15.577 1.00 0.00 C ATOM 837 O GLN A 60 -7.096 21.854 -15.540 1.00 0.00 O ATOM 838 CB GLN A 60 -9.201 20.083 -16.897 1.00 0.00 C ATOM 839 CG GLN A 60 -9.756 19.206 -18.020 1.00 0.00 C ATOM 840 CD GLN A 60 -11.034 18.513 -17.540 1.00 0.00 C ATOM 841 OE1 GLN A 60 -10.987 17.645 -16.692 1.00 0.00 O ATOM 842 NE2 GLN A 60 -12.183 18.864 -18.051 1.00 0.00 N ATOM 0 H GLN A 60 -8.030 17.900 -16.187 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.218 20.322 -17.708 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.662 19.811 -15.948 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.448 21.128 -17.083 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.967 19.813 -18.900 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.015 18.463 -18.316 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.223 19.593 -18.763 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.041 18.409 -17.738 1.00 0.00 H new ATOM 851 N SER A 61 -6.773 19.915 -14.559 1.00 0.00 N ATOM 852 CA SER A 61 -6.255 20.577 -13.327 1.00 0.00 C ATOM 853 C SER A 61 -4.750 20.331 -13.204 1.00 0.00 C ATOM 854 O SER A 61 -4.227 19.355 -13.703 1.00 0.00 O ATOM 855 CB SER A 61 -6.967 20.003 -12.102 1.00 0.00 C ATOM 856 OG SER A 61 -7.982 20.904 -11.683 1.00 0.00 O ATOM 0 H SER A 61 -6.797 18.896 -14.528 1.00 0.00 H new ATOM 0 HA SER A 61 -6.442 21.649 -13.388 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.402 19.033 -12.342 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.253 19.841 -11.295 1.00 0.00 H new ATOM 0 HG SER A 61 -8.441 20.538 -10.899 1.00 0.00 H new ATOM 862 N ALA A 62 -4.048 21.211 -12.538 1.00 0.00 N ATOM 863 CA ALA A 62 -2.577 21.029 -12.378 1.00 0.00 C ATOM 864 C ALA A 62 -2.305 20.158 -11.151 1.00 0.00 C ATOM 865 O ALA A 62 -1.455 19.289 -11.169 1.00 0.00 O ATOM 866 CB ALA A 62 -1.911 22.396 -12.193 1.00 0.00 C ATOM 0 H ALA A 62 -4.431 22.048 -12.098 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.170 20.545 -13.266 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.835 22.264 -12.076 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.107 23.018 -13.067 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.316 22.881 -11.305 1.00 0.00 H new ATOM 872 N ASP A 63 -3.025 20.378 -10.084 1.00 0.00 N ATOM 873 CA ASP A 63 -2.812 19.558 -8.858 1.00 0.00 C ATOM 874 C ASP A 63 -3.629 18.270 -8.968 1.00 0.00 C ATOM 875 O ASP A 63 -4.349 18.065 -9.925 1.00 0.00 O ATOM 876 CB ASP A 63 -3.262 20.347 -7.627 1.00 0.00 C ATOM 877 CG ASP A 63 -2.801 21.800 -7.756 1.00 0.00 C ATOM 878 OD1 ASP A 63 -1.603 22.015 -7.835 1.00 0.00 O ATOM 879 OD2 ASP A 63 -3.654 22.673 -7.774 1.00 0.00 O ATOM 0 H ASP A 63 -3.751 21.090 -10.009 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.754 19.314 -8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.347 20.306 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.846 19.901 -6.724 1.00 0.00 H new ATOM 884 N CYS A 64 -3.525 17.400 -8.002 1.00 0.00 N ATOM 885 CA CYS A 64 -4.301 16.129 -8.069 1.00 0.00 C ATOM 886 C CYS A 64 -5.312 16.075 -6.932 1.00 0.00 C ATOM 887 O CYS A 64 -5.024 15.588 -5.857 1.00 0.00 O ATOM 888 CB CYS A 64 -3.352 14.934 -7.974 1.00 0.00 C ATOM 889 SG CYS A 64 -4.319 13.404 -8.004 1.00 0.00 S ATOM 0 H CYS A 64 -2.940 17.512 -7.174 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.832 16.089 -9.020 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.645 14.948 -8.804 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.767 14.991 -7.056 1.00 0.00 H new ATOM 894 N PRO A 65 -6.482 16.571 -7.226 1.00 0.00 N ATOM 895 CA PRO A 65 -7.598 16.595 -6.276 1.00 0.00 C ATOM 896 C PRO A 65 -8.267 15.218 -6.207 1.00 0.00 C ATOM 897 O PRO A 65 -9.429 15.067 -6.525 1.00 0.00 O ATOM 898 CB PRO A 65 -8.549 17.624 -6.881 1.00 0.00 C ATOM 899 CG PRO A 65 -8.214 17.721 -8.383 1.00 0.00 C ATOM 900 CD PRO A 65 -6.796 17.165 -8.545 1.00 0.00 C ATOM 0 HA PRO A 65 -7.294 16.840 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.586 17.322 -6.736 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.428 18.593 -6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.926 17.149 -8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.268 18.754 -8.727 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.750 16.419 -9.338 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.088 17.952 -8.806 1.00 0.00 H new ATOM 908 N ARG A 66 -7.542 14.211 -5.799 1.00 0.00 N ATOM 909 CA ARG A 66 -8.144 12.849 -5.718 1.00 0.00 C ATOM 910 C ARG A 66 -8.084 12.343 -4.276 1.00 0.00 C ATOM 911 O ARG A 66 -8.574 11.276 -3.963 1.00 0.00 O ATOM 912 CB ARG A 66 -7.366 11.892 -6.626 1.00 0.00 C ATOM 913 CG ARG A 66 -8.310 10.811 -7.157 1.00 0.00 C ATOM 914 CD ARG A 66 -8.572 11.046 -8.645 1.00 0.00 C ATOM 915 NE ARG A 66 -9.679 10.158 -9.099 1.00 0.00 N ATOM 916 CZ ARG A 66 -10.910 10.590 -9.082 1.00 0.00 C ATOM 917 NH1 ARG A 66 -11.239 11.653 -9.764 1.00 0.00 N ATOM 918 NH2 ARG A 66 -11.813 9.960 -8.382 1.00 0.00 N ATOM 0 H ARG A 66 -6.563 14.272 -5.519 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.184 12.895 -6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.922 12.442 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.546 11.434 -6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.872 9.825 -7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.249 10.830 -6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.834 12.090 -8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.669 10.843 -9.221 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.475 9.213 -9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.534 12.147 -10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.202 11.990 -9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.557 9.130 -7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.775 10.298 -8.369 1.00 0.00 H new ATOM 932 N TYR A 67 -7.490 13.097 -3.393 1.00 0.00 N ATOM 933 CA TYR A 67 -7.403 12.653 -1.974 1.00 0.00 C ATOM 934 C TYR A 67 -7.243 13.875 -1.069 1.00 0.00 C ATOM 935 O TYR A 67 -6.148 14.242 -0.690 1.00 0.00 O ATOM 936 CB TYR A 67 -6.198 11.725 -1.801 1.00 0.00 C ATOM 937 CG TYR A 67 -6.666 10.375 -1.311 1.00 0.00 C ATOM 938 CD1 TYR A 67 -7.234 9.462 -2.208 1.00 0.00 C ATOM 939 CD2 TYR A 67 -6.531 10.037 0.041 1.00 0.00 C ATOM 940 CE1 TYR A 67 -7.667 8.211 -1.753 1.00 0.00 C ATOM 941 CE2 TYR A 67 -6.965 8.786 0.496 1.00 0.00 C ATOM 942 CZ TYR A 67 -7.533 7.874 -0.401 1.00 0.00 C ATOM 943 OH TYR A 67 -7.960 6.641 0.048 1.00 0.00 O ATOM 0 H TYR A 67 -7.061 14.001 -3.593 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.313 12.117 -1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.670 11.617 -2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.493 12.157 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.338 9.723 -3.251 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.092 10.741 0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.104 7.506 -2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.862 8.525 1.539 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.793 6.568 1.011 1.00 0.00 H new ATOM 953 N HIS A 68 -8.328 14.510 -0.718 1.00 0.00 N ATOM 954 CA HIS A 68 -8.241 15.710 0.161 1.00 0.00 C ATOM 955 C HIS A 68 -8.333 15.276 1.625 1.00 0.00 C ATOM 956 O HIS A 68 -7.859 16.015 2.473 1.00 0.00 O ATOM 957 CB HIS A 68 -9.394 16.662 -0.163 1.00 0.00 C ATOM 958 CG HIS A 68 -8.847 17.927 -0.767 1.00 0.00 C ATOM 959 ND1 HIS A 68 -9.127 19.178 -0.241 1.00 0.00 N ATOM 960 CD2 HIS A 68 -8.038 18.149 -1.854 1.00 0.00 C ATOM 961 CE1 HIS A 68 -8.496 20.089 -1.005 1.00 0.00 C ATOM 962 NE2 HIS A 68 -7.817 19.515 -2.002 1.00 0.00 N ATOM 963 OXT HIS A 68 -8.876 14.213 1.874 1.00 0.00 O ATOM 0 H HIS A 68 -9.272 14.249 -1.003 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.292 16.218 -0.008 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -10.088 16.186 -0.856 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.955 16.892 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.635 17.380 -2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.534 21.155 -0.833 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -7.257 19.978 -2.718 1.00 0.00 H new TER 971 HIS A 68