USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 33:sc= 0.632 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.93) USER MOD Single : A 22 HIS : no HD1:sc= -0.493 K(o=-0.49,f=-1.2) USER MOD Single : A 23 CYS SG : rot 58:sc= 0.0716 USER MOD Single : A 29 SER OG : rot 170:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS :FLIP no HD1:sc= 0.0736 F(o=-1.6!,f=0.074) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 42 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-5.6!) USER MOD Single : A 45 HIS : no HE2:sc= -4.67 X(o=-4.7,f=-4.7) USER MOD Single : A 46 GLN : amide:sc=-0.000181 X(o=-0.00018,f=-0.049) USER MOD Single : A 50 GLN : amide:sc= -0.631 K(o=-0.63,f=-1.9) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -166:sc= 0.819 USER MOD Single : A 58 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0315) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -122:sc= -0.561 (180deg=-1.21) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.114 -28.379 23.404 1.00 0.00 N ATOM 2 CA GLY A 1 -22.755 -27.374 22.576 1.00 0.00 C ATOM 3 C GLY A 1 -22.778 -27.758 21.110 1.00 0.00 C ATOM 4 O GLY A 1 -21.735 -28.040 20.520 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.124 -28.069 24.397 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.627 -29.279 23.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.130 -28.510 23.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.776 -27.219 22.924 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.231 -26.425 22.691 1.00 0.00 H new ATOM 8 N SER A 2 -23.969 -27.771 20.522 1.00 0.00 N ATOM 9 CA SER A 2 -24.124 -28.130 19.117 1.00 0.00 C ATOM 10 C SER A 2 -23.069 -27.435 18.260 1.00 0.00 C ATOM 11 O SER A 2 -22.544 -26.386 18.631 1.00 0.00 O ATOM 12 CB SER A 2 -25.523 -27.757 18.624 1.00 0.00 C ATOM 13 OG SER A 2 -25.794 -26.384 18.848 1.00 0.00 O ATOM 0 H SER A 2 -24.841 -27.537 20.996 1.00 0.00 H new ATOM 0 HA SER A 2 -23.990 -29.208 19.026 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.608 -27.979 17.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.267 -28.366 19.137 1.00 0.00 H new ATOM 0 HG SER A 2 -26.693 -26.171 18.523 1.00 0.00 H new ATOM 19 N SER A 3 -22.764 -28.030 17.111 1.00 0.00 N ATOM 20 CA SER A 3 -21.770 -27.472 16.202 1.00 0.00 C ATOM 21 C SER A 3 -21.963 -28.011 14.788 1.00 0.00 C ATOM 22 O SER A 3 -22.445 -29.127 14.597 1.00 0.00 O ATOM 23 CB SER A 3 -20.358 -27.796 16.695 1.00 0.00 C ATOM 24 OG SER A 3 -19.897 -26.812 17.604 1.00 0.00 O ATOM 0 H SER A 3 -23.191 -28.898 16.788 1.00 0.00 H new ATOM 0 HA SER A 3 -21.901 -26.390 16.181 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.353 -28.773 17.179 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.678 -27.858 15.845 1.00 0.00 H new ATOM 0 HG SER A 3 -20.653 -26.467 18.124 1.00 0.00 H new ATOM 30 N GLY A 4 -21.584 -27.208 13.798 1.00 0.00 N ATOM 31 CA GLY A 4 -21.723 -27.621 12.414 1.00 0.00 C ATOM 32 C GLY A 4 -20.624 -27.065 11.530 1.00 0.00 C ATOM 33 O GLY A 4 -20.634 -25.884 11.183 1.00 0.00 O ATOM 0 H GLY A 4 -21.183 -26.279 13.930 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.713 -28.710 12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.691 -27.292 12.035 1.00 0.00 H new ATOM 37 N SER A 5 -19.672 -27.918 11.165 1.00 0.00 N ATOM 38 CA SER A 5 -18.557 -27.505 10.321 1.00 0.00 C ATOM 39 C SER A 5 -18.456 -28.390 9.083 1.00 0.00 C ATOM 40 O SER A 5 -19.226 -29.336 8.918 1.00 0.00 O ATOM 41 CB SER A 5 -17.246 -27.557 11.108 1.00 0.00 C ATOM 42 OG SER A 5 -17.246 -26.609 12.161 1.00 0.00 O ATOM 0 H SER A 5 -19.651 -28.900 11.441 1.00 0.00 H new ATOM 0 HA SER A 5 -18.738 -26.479 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.102 -28.558 11.515 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.408 -27.362 10.439 1.00 0.00 H new ATOM 0 HG SER A 5 -16.398 -26.663 12.650 1.00 0.00 H new ATOM 48 N SER A 6 -17.499 -28.077 8.216 1.00 0.00 N ATOM 49 CA SER A 6 -17.297 -28.841 6.990 1.00 0.00 C ATOM 50 C SER A 6 -18.567 -28.854 6.144 1.00 0.00 C ATOM 51 O SER A 6 -18.945 -29.885 5.588 1.00 0.00 O ATOM 52 CB SER A 6 -16.876 -30.274 7.321 1.00 0.00 C ATOM 53 OG SER A 6 -16.169 -30.860 6.241 1.00 0.00 O ATOM 0 H SER A 6 -16.851 -27.299 8.340 1.00 0.00 H new ATOM 0 HA SER A 6 -16.504 -28.360 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.250 -30.276 8.213 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.758 -30.872 7.550 1.00 0.00 H new ATOM 0 HG SER A 6 -15.910 -31.775 6.478 1.00 0.00 H new ATOM 59 N GLY A 7 -19.221 -27.700 6.051 1.00 0.00 N ATOM 60 CA GLY A 7 -20.441 -27.600 5.271 1.00 0.00 C ATOM 61 C GLY A 7 -20.183 -27.157 3.844 1.00 0.00 C ATOM 62 O GLY A 7 -19.520 -27.858 3.079 1.00 0.00 O ATOM 0 H GLY A 7 -18.928 -26.833 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.943 -28.567 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.118 -26.893 5.751 1.00 0.00 H new ATOM 66 N THR A 8 -20.708 -25.991 3.484 1.00 0.00 N ATOM 67 CA THR A 8 -20.534 -25.457 2.139 1.00 0.00 C ATOM 68 C THR A 8 -20.210 -23.968 2.177 1.00 0.00 C ATOM 69 O THR A 8 -20.716 -23.234 3.025 1.00 0.00 O ATOM 70 CB THR A 8 -21.794 -25.675 1.280 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.913 -25.007 1.874 1.00 0.00 O ATOM 72 CG2 THR A 8 -22.100 -27.158 1.135 1.00 0.00 C ATOM 0 H THR A 8 -21.258 -25.398 4.105 1.00 0.00 H new ATOM 0 HA THR A 8 -19.700 -25.997 1.690 1.00 0.00 H new ATOM 0 HB THR A 8 -21.608 -25.260 0.289 1.00 0.00 H new ATOM 0 HG1 THR A 8 -23.710 -25.149 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.994 -27.287 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.258 -27.658 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 8 -22.268 -27.593 2.120 1.00 0.00 H new ATOM 80 N SER A 9 -19.363 -23.528 1.251 1.00 0.00 N ATOM 81 CA SER A 9 -18.969 -22.126 1.180 1.00 0.00 C ATOM 82 C SER A 9 -20.095 -21.273 0.604 1.00 0.00 C ATOM 83 O SER A 9 -20.397 -21.348 -0.588 1.00 0.00 O ATOM 84 CB SER A 9 -17.709 -21.971 0.328 1.00 0.00 C ATOM 85 OG SER A 9 -16.594 -22.587 0.949 1.00 0.00 O ATOM 0 H SER A 9 -18.937 -24.122 0.540 1.00 0.00 H new ATOM 0 HA SER A 9 -18.758 -21.782 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.873 -22.415 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.502 -20.913 0.169 1.00 0.00 H new ATOM 0 HG SER A 9 -15.802 -22.475 0.383 1.00 0.00 H new ATOM 91 N ILE A 10 -20.712 -20.463 1.457 1.00 0.00 N ATOM 92 CA ILE A 10 -21.804 -19.595 1.033 1.00 0.00 C ATOM 93 C ILE A 10 -21.273 -18.299 0.430 1.00 0.00 C ATOM 94 O ILE A 10 -21.660 -17.909 -0.673 1.00 0.00 O ATOM 95 CB ILE A 10 -22.742 -19.256 2.206 1.00 0.00 C ATOM 96 CG1 ILE A 10 -23.331 -20.536 2.803 1.00 0.00 C ATOM 97 CG2 ILE A 10 -23.849 -18.320 1.746 1.00 0.00 C ATOM 98 CD1 ILE A 10 -23.877 -20.355 4.202 1.00 0.00 C ATOM 0 H ILE A 10 -20.475 -20.389 2.446 1.00 0.00 H new ATOM 0 HA ILE A 10 -22.366 -20.142 0.276 1.00 0.00 H new ATOM 0 HB ILE A 10 -22.164 -18.750 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -24.129 -20.896 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -22.561 -21.307 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -24.504 -18.090 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -23.411 -17.398 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -24.427 -18.801 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -24.278 -21.303 4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -23.077 -20.025 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -24.670 -19.607 4.189 1.00 0.00 H new ATOM 110 N THR A 11 -20.382 -17.634 1.159 1.00 0.00 N ATOM 111 CA THR A 11 -19.797 -16.382 0.697 1.00 0.00 C ATOM 112 C THR A 11 -19.106 -16.563 -0.650 1.00 0.00 C ATOM 113 O THR A 11 -18.406 -17.547 -0.889 1.00 0.00 O ATOM 114 CB THR A 11 -18.780 -15.828 1.712 1.00 0.00 C ATOM 115 OG1 THR A 11 -17.769 -16.807 1.977 1.00 0.00 O ATOM 116 CG2 THR A 11 -19.470 -15.440 3.012 1.00 0.00 C ATOM 0 H THR A 11 -20.050 -17.942 2.073 1.00 0.00 H new ATOM 0 HA THR A 11 -20.616 -15.671 0.590 1.00 0.00 H new ATOM 0 HB THR A 11 -18.320 -14.938 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.125 -16.446 2.622 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.732 -15.051 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.219 -14.674 2.812 1.00 0.00 H new ATOM 0 HG23 THR A 11 -19.954 -16.317 3.443 1.00 0.00 H new ATOM 124 N PRO A 12 -19.305 -15.591 -1.553 1.00 0.00 N ATOM 125 CA PRO A 12 -18.708 -15.620 -2.892 1.00 0.00 C ATOM 126 C PRO A 12 -17.197 -15.413 -2.857 1.00 0.00 C ATOM 127 O PRO A 12 -16.645 -14.971 -1.850 1.00 0.00 O ATOM 128 CB PRO A 12 -19.391 -14.454 -3.610 1.00 0.00 C ATOM 129 CG PRO A 12 -19.796 -13.522 -2.520 1.00 0.00 C ATOM 130 CD PRO A 12 -20.128 -14.389 -1.337 1.00 0.00 C ATOM 0 HA PRO A 12 -18.852 -16.583 -3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.713 -13.970 -4.313 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -20.255 -14.793 -4.182 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.991 -12.827 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.656 -12.923 -2.818 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.881 -13.897 -0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -21.190 -14.630 -1.301 1.00 0.00 H new ATOM 138 N SER A 13 -16.535 -15.735 -3.963 1.00 0.00 N ATOM 139 CA SER A 13 -15.087 -15.587 -4.058 1.00 0.00 C ATOM 140 C SER A 13 -14.661 -14.170 -3.690 1.00 0.00 C ATOM 141 O SER A 13 -15.493 -13.271 -3.568 1.00 0.00 O ATOM 142 CB SER A 13 -14.611 -15.925 -5.472 1.00 0.00 C ATOM 143 OG SER A 13 -14.684 -17.319 -5.716 1.00 0.00 O ATOM 0 H SER A 13 -16.978 -16.100 -4.806 1.00 0.00 H new ATOM 0 HA SER A 13 -14.628 -16.280 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.222 -15.393 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.585 -15.583 -5.605 1.00 0.00 H new ATOM 0 HG SER A 13 -14.376 -17.508 -6.627 1.00 0.00 H new ATOM 149 N SER A 14 -13.357 -13.978 -3.513 1.00 0.00 N ATOM 150 CA SER A 14 -12.819 -12.671 -3.155 1.00 0.00 C ATOM 151 C SER A 14 -12.260 -11.959 -4.383 1.00 0.00 C ATOM 152 O SER A 14 -11.455 -12.520 -5.126 1.00 0.00 O ATOM 153 CB SER A 14 -11.725 -12.820 -2.095 1.00 0.00 C ATOM 154 OG SER A 14 -11.020 -11.603 -1.915 1.00 0.00 O ATOM 0 H SER A 14 -12.654 -14.711 -3.612 1.00 0.00 H new ATOM 0 HA SER A 14 -13.631 -12.070 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.170 -13.129 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.031 -13.606 -2.392 1.00 0.00 H new ATOM 0 HG SER A 14 -10.328 -11.724 -1.232 1.00 0.00 H new ATOM 160 N GLN A 15 -12.692 -10.719 -4.588 1.00 0.00 N ATOM 161 CA GLN A 15 -12.236 -9.929 -5.726 1.00 0.00 C ATOM 162 C GLN A 15 -11.125 -8.970 -5.312 1.00 0.00 C ATOM 163 O GLN A 15 -11.276 -8.203 -4.361 1.00 0.00 O ATOM 164 CB GLN A 15 -13.403 -9.147 -6.331 1.00 0.00 C ATOM 165 CG GLN A 15 -14.507 -10.032 -6.885 1.00 0.00 C ATOM 166 CD GLN A 15 -14.055 -10.851 -8.078 1.00 0.00 C ATOM 167 OE1 GLN A 15 -13.341 -11.843 -7.930 1.00 0.00 O ATOM 168 NE2 GLN A 15 -14.469 -10.439 -9.270 1.00 0.00 N ATOM 0 H GLN A 15 -13.357 -10.240 -3.981 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.839 -10.613 -6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.823 -8.491 -5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.026 -8.508 -7.130 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.858 -10.703 -6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.354 -9.411 -7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.060 -9.611 -9.347 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.196 -10.950 -10.109 1.00 0.00 H new ATOM 177 N ASP A 16 -10.009 -9.020 -6.032 1.00 0.00 N ATOM 178 CA ASP A 16 -8.872 -8.155 -5.740 1.00 0.00 C ATOM 179 C ASP A 16 -9.185 -6.706 -6.101 1.00 0.00 C ATOM 180 O ASP A 16 -9.395 -6.379 -7.270 1.00 0.00 O ATOM 181 CB ASP A 16 -7.635 -8.628 -6.504 1.00 0.00 C ATOM 182 CG ASP A 16 -7.567 -10.138 -6.618 1.00 0.00 C ATOM 183 OD1 ASP A 16 -7.552 -10.813 -5.566 1.00 0.00 O ATOM 184 OD2 ASP A 16 -7.529 -10.646 -7.758 1.00 0.00 O ATOM 0 H ASP A 16 -9.868 -9.650 -6.822 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.671 -8.209 -4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.639 -8.191 -7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.739 -8.264 -6.001 1.00 0.00 H new ATOM 189 N ILE A 17 -9.215 -5.843 -5.091 1.00 0.00 N ATOM 190 CA ILE A 17 -9.503 -4.430 -5.302 1.00 0.00 C ATOM 191 C ILE A 17 -8.611 -3.551 -4.432 1.00 0.00 C ATOM 192 O ILE A 17 -7.938 -4.039 -3.523 1.00 0.00 O ATOM 193 CB ILE A 17 -10.977 -4.104 -5.000 1.00 0.00 C ATOM 194 CG1 ILE A 17 -11.316 -4.465 -3.553 1.00 0.00 C ATOM 195 CG2 ILE A 17 -11.892 -4.844 -5.965 1.00 0.00 C ATOM 196 CD1 ILE A 17 -12.414 -3.612 -2.958 1.00 0.00 C ATOM 0 H ILE A 17 -9.043 -6.098 -4.118 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.301 -4.221 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.131 -3.033 -5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.616 -5.512 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.419 -4.365 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.931 -4.603 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.664 -4.542 -6.987 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.738 -5.918 -5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.601 -3.924 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.108 -2.566 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.325 -3.730 -3.545 1.00 0.00 H new ATOM 208 N CYS A 18 -8.612 -2.253 -4.715 1.00 0.00 N ATOM 209 CA CYS A 18 -7.804 -1.305 -3.957 1.00 0.00 C ATOM 210 C CYS A 18 -7.869 -1.606 -2.463 1.00 0.00 C ATOM 211 O CYS A 18 -8.809 -2.245 -1.988 1.00 0.00 O ATOM 212 CB CYS A 18 -8.279 0.126 -4.221 1.00 0.00 C ATOM 213 SG CYS A 18 -7.099 1.410 -3.692 1.00 0.00 S ATOM 0 H CYS A 18 -9.163 -1.833 -5.464 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.769 -1.405 -4.285 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.472 0.242 -5.287 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.227 0.284 -3.706 1.00 0.00 H new ATOM 218 N ARG A 19 -6.864 -1.143 -1.727 1.00 0.00 N ATOM 219 CA ARG A 19 -6.806 -1.363 -0.287 1.00 0.00 C ATOM 220 C ARG A 19 -7.033 -0.060 0.472 1.00 0.00 C ATOM 221 O ARG A 19 -7.494 -0.068 1.614 1.00 0.00 O ATOM 222 CB ARG A 19 -5.455 -1.965 0.104 1.00 0.00 C ATOM 223 CG ARG A 19 -4.359 -0.929 0.295 1.00 0.00 C ATOM 224 CD ARG A 19 -3.100 -1.551 0.878 1.00 0.00 C ATOM 225 NE ARG A 19 -2.276 -0.568 1.576 1.00 0.00 N ATOM 226 CZ ARG A 19 -0.974 -0.719 1.789 1.00 0.00 C ATOM 227 NH1 ARG A 19 -0.350 -1.807 1.359 1.00 0.00 N ATOM 228 NH2 ARG A 19 -0.292 0.221 2.432 1.00 0.00 N ATOM 0 H ARG A 19 -6.079 -0.613 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.599 -2.062 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.573 -2.531 1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.145 -2.672 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.126 -0.463 -0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.715 -0.139 0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.376 -2.348 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.518 -2.009 0.078 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.725 0.281 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.870 -2.531 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.650 -1.920 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.768 1.060 2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.708 0.104 2.595 1.00 0.00 H new ATOM 242 N ILE A 20 -6.707 1.057 -0.169 1.00 0.00 N ATOM 243 CA ILE A 20 -6.876 2.368 0.446 1.00 0.00 C ATOM 244 C ILE A 20 -8.297 2.886 0.253 1.00 0.00 C ATOM 245 O ILE A 20 -8.904 3.426 1.179 1.00 0.00 O ATOM 246 CB ILE A 20 -5.885 3.394 -0.134 1.00 0.00 C ATOM 247 CG1 ILE A 20 -4.446 2.910 0.058 1.00 0.00 C ATOM 248 CG2 ILE A 20 -6.084 4.752 0.521 1.00 0.00 C ATOM 249 CD1 ILE A 20 -3.491 3.417 -1.000 1.00 0.00 C ATOM 0 H ILE A 20 -6.324 1.081 -1.114 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.677 2.245 1.511 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.075 3.497 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.092 3.229 1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.434 1.820 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.376 5.466 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.101 5.099 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.918 4.666 1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.490 3.034 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.821 3.076 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.473 4.507 -0.982 1.00 0.00 H new ATOM 261 N CYS A 21 -8.824 2.717 -0.955 1.00 0.00 N ATOM 262 CA CYS A 21 -10.175 3.166 -1.270 1.00 0.00 C ATOM 263 C CYS A 21 -11.144 1.988 -1.313 1.00 0.00 C ATOM 264 O CYS A 21 -12.347 2.151 -1.108 1.00 0.00 O ATOM 265 CB CYS A 21 -10.190 3.902 -2.611 1.00 0.00 C ATOM 266 SG CYS A 21 -10.070 2.807 -4.062 1.00 0.00 S ATOM 0 H CYS A 21 -8.336 2.272 -1.732 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.497 3.849 -0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.109 4.484 -2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.362 4.610 -2.634 1.00 0.00 H new ATOM 271 N HIS A 22 -10.610 0.800 -1.582 1.00 0.00 N ATOM 272 CA HIS A 22 -11.427 -0.406 -1.651 1.00 0.00 C ATOM 273 C HIS A 22 -12.468 -0.295 -2.761 1.00 0.00 C ATOM 274 O HIS A 22 -13.653 -0.549 -2.542 1.00 0.00 O ATOM 275 CB HIS A 22 -12.118 -0.657 -0.311 1.00 0.00 C ATOM 276 CG HIS A 22 -11.169 -0.979 0.802 1.00 0.00 C ATOM 277 ND1 HIS A 22 -11.172 -0.313 2.010 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.183 -1.902 0.886 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.228 -0.812 2.787 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.613 -1.779 2.129 1.00 0.00 N ATOM 0 H HIS A 22 -9.617 0.647 -1.755 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.771 -1.247 -1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.697 0.226 -0.039 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.824 -1.479 -0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.897 -2.605 0.118 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.998 -0.485 3.790 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.841 -2.342 2.486 1.00 0.00 H new ATOM 288 N CYS A 23 -12.018 0.088 -3.951 1.00 0.00 N ATOM 289 CA CYS A 23 -12.912 0.234 -5.095 1.00 0.00 C ATOM 290 C CYS A 23 -12.357 -0.494 -6.315 1.00 0.00 C ATOM 291 O CYS A 23 -11.151 -0.715 -6.422 1.00 0.00 O ATOM 292 CB CYS A 23 -13.119 1.714 -5.420 1.00 0.00 C ATOM 293 SG CYS A 23 -14.070 2.617 -4.174 1.00 0.00 S ATOM 0 H CYS A 23 -11.041 0.303 -4.149 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.872 -0.212 -4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.145 2.190 -5.534 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.628 1.796 -6.380 1.00 0.00 H new ATOM 0 HG CYS A 23 -13.474 2.525 -3.022 1.00 0.00 H new ATOM 299 N GLU A 24 -13.246 -0.864 -7.232 1.00 0.00 N ATOM 300 CA GLU A 24 -12.844 -1.569 -8.443 1.00 0.00 C ATOM 301 C GLU A 24 -11.677 -0.860 -9.124 1.00 0.00 C ATOM 302 O GLU A 24 -11.581 0.366 -9.097 1.00 0.00 O ATOM 303 CB GLU A 24 -14.024 -1.679 -9.411 1.00 0.00 C ATOM 304 CG GLU A 24 -14.848 -2.942 -9.226 1.00 0.00 C ATOM 305 CD GLU A 24 -15.931 -3.091 -10.276 1.00 0.00 C ATOM 306 OE1 GLU A 24 -16.802 -2.200 -10.362 1.00 0.00 O ATOM 307 OE2 GLU A 24 -15.908 -4.099 -11.013 1.00 0.00 O ATOM 0 H GLU A 24 -14.248 -0.687 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.522 -2.571 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.671 -0.811 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.648 -1.647 -10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.189 -3.810 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.305 -2.931 -8.237 1.00 0.00 H new ATOM 314 N GLY A 25 -10.792 -1.642 -9.734 1.00 0.00 N ATOM 315 CA GLY A 25 -9.643 -1.073 -10.413 1.00 0.00 C ATOM 316 C GLY A 25 -10.034 -0.247 -11.623 1.00 0.00 C ATOM 317 O GLY A 25 -10.745 -0.727 -12.506 1.00 0.00 O ATOM 0 H GLY A 25 -10.850 -2.660 -9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.085 -0.448 -9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.975 -1.876 -10.726 1.00 0.00 H new ATOM 321 N ASP A 26 -9.571 0.997 -11.663 1.00 0.00 N ATOM 322 CA ASP A 26 -9.878 1.891 -12.774 1.00 0.00 C ATOM 323 C ASP A 26 -8.854 1.738 -13.894 1.00 0.00 C ATOM 324 O ASP A 26 -7.745 1.251 -13.672 1.00 0.00 O ATOM 325 CB ASP A 26 -9.913 3.343 -12.293 1.00 0.00 C ATOM 326 CG ASP A 26 -10.633 3.496 -10.967 1.00 0.00 C ATOM 327 OD1 ASP A 26 -9.980 3.332 -9.916 1.00 0.00 O ATOM 328 OD2 ASP A 26 -11.850 3.779 -10.981 1.00 0.00 O ATOM 0 H ASP A 26 -8.982 1.410 -10.940 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.859 1.622 -13.164 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.893 3.715 -12.194 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.406 3.960 -13.044 1.00 0.00 H new ATOM 333 N ASP A 27 -9.233 2.156 -15.096 1.00 0.00 N ATOM 334 CA ASP A 27 -8.347 2.066 -16.251 1.00 0.00 C ATOM 335 C ASP A 27 -7.048 2.825 -16.001 1.00 0.00 C ATOM 336 O ASP A 27 -5.962 2.329 -16.297 1.00 0.00 O ATOM 337 CB ASP A 27 -9.042 2.617 -17.498 1.00 0.00 C ATOM 338 CG ASP A 27 -10.357 1.919 -17.783 1.00 0.00 C ATOM 339 OD1 ASP A 27 -11.397 2.381 -17.270 1.00 0.00 O ATOM 340 OD2 ASP A 27 -10.346 0.909 -18.519 1.00 0.00 O ATOM 0 H ASP A 27 -10.148 2.561 -15.296 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.107 1.015 -16.412 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.221 3.684 -17.369 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.381 2.506 -18.358 1.00 0.00 H new ATOM 345 N GLU A 28 -7.169 4.031 -15.454 1.00 0.00 N ATOM 346 CA GLU A 28 -6.004 4.859 -15.166 1.00 0.00 C ATOM 347 C GLU A 28 -5.463 4.570 -13.769 1.00 0.00 C ATOM 348 O GLU A 28 -4.267 4.713 -13.513 1.00 0.00 O ATOM 349 CB GLU A 28 -6.361 6.342 -15.290 1.00 0.00 C ATOM 350 CG GLU A 28 -7.835 6.634 -15.066 1.00 0.00 C ATOM 351 CD GLU A 28 -8.092 8.079 -14.687 1.00 0.00 C ATOM 352 OE1 GLU A 28 -7.562 8.977 -15.375 1.00 0.00 O ATOM 353 OE2 GLU A 28 -8.824 8.313 -13.703 1.00 0.00 O ATOM 0 H GLU A 28 -8.061 4.456 -15.202 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.230 4.617 -15.894 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.773 6.910 -14.569 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.076 6.694 -16.282 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.391 6.396 -15.973 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.215 5.983 -14.279 1.00 0.00 H new ATOM 360 N SER A 29 -6.352 4.162 -12.869 1.00 0.00 N ATOM 361 CA SER A 29 -5.966 3.857 -11.497 1.00 0.00 C ATOM 362 C SER A 29 -6.228 2.389 -11.172 1.00 0.00 C ATOM 363 O SER A 29 -6.894 2.053 -10.193 1.00 0.00 O ATOM 364 CB SER A 29 -6.730 4.751 -10.519 1.00 0.00 C ATOM 365 OG SER A 29 -6.021 5.953 -10.266 1.00 0.00 O ATOM 0 H SER A 29 -7.345 4.035 -13.066 1.00 0.00 H new ATOM 0 HA SER A 29 -4.898 4.049 -11.395 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.714 4.984 -10.927 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.892 4.216 -9.583 1.00 0.00 H new ATOM 0 HG SER A 29 -6.596 6.574 -9.771 1.00 0.00 H new ATOM 371 N PRO A 30 -5.692 1.493 -12.014 1.00 0.00 N ATOM 372 CA PRO A 30 -5.854 0.047 -11.839 1.00 0.00 C ATOM 373 C PRO A 30 -5.084 -0.480 -10.632 1.00 0.00 C ATOM 374 O PRO A 30 -4.315 0.250 -10.006 1.00 0.00 O ATOM 375 CB PRO A 30 -5.281 -0.534 -13.134 1.00 0.00 C ATOM 376 CG PRO A 30 -4.317 0.495 -13.616 1.00 0.00 C ATOM 377 CD PRO A 30 -4.887 1.823 -13.202 1.00 0.00 C ATOM 0 HA PRO A 30 -6.893 -0.228 -11.656 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.785 -1.488 -12.955 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.066 -0.716 -13.868 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.330 0.341 -13.179 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.198 0.442 -14.698 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.102 2.542 -12.968 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.497 2.262 -13.991 1.00 0.00 H new ATOM 385 N LEU A 31 -5.295 -1.752 -10.311 1.00 0.00 N ATOM 386 CA LEU A 31 -4.620 -2.377 -9.179 1.00 0.00 C ATOM 387 C LEU A 31 -3.219 -2.839 -9.568 1.00 0.00 C ATOM 388 O LEU A 31 -3.049 -3.904 -10.161 1.00 0.00 O ATOM 389 CB LEU A 31 -5.437 -3.565 -8.666 1.00 0.00 C ATOM 390 CG LEU A 31 -6.926 -3.306 -8.437 1.00 0.00 C ATOM 391 CD1 LEU A 31 -7.663 -4.613 -8.186 1.00 0.00 C ATOM 392 CD2 LEU A 31 -7.129 -2.346 -7.274 1.00 0.00 C ATOM 0 H LEU A 31 -5.928 -2.370 -10.818 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.531 -1.635 -8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.336 -4.384 -9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.999 -3.903 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.337 -2.847 -9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.722 -4.409 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.547 -5.268 -9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.249 -5.100 -7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.195 -2.174 -7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.702 -2.776 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.636 -1.399 -7.493 1.00 0.00 H new ATOM 404 N ILE A 32 -2.221 -2.031 -9.228 1.00 0.00 N ATOM 405 CA ILE A 32 -0.835 -2.359 -9.538 1.00 0.00 C ATOM 406 C ILE A 32 -0.046 -2.670 -8.270 1.00 0.00 C ATOM 407 O ILE A 32 -0.430 -2.268 -7.172 1.00 0.00 O ATOM 408 CB ILE A 32 -0.140 -1.210 -10.292 1.00 0.00 C ATOM 409 CG1 ILE A 32 -0.329 0.110 -9.541 1.00 0.00 C ATOM 410 CG2 ILE A 32 -0.683 -1.102 -11.709 1.00 0.00 C ATOM 411 CD1 ILE A 32 0.774 1.113 -9.797 1.00 0.00 C ATOM 0 H ILE A 32 -2.346 -1.145 -8.738 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.855 -3.242 -10.176 1.00 0.00 H new ATOM 0 HB ILE A 32 0.927 -1.425 -10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.284 0.550 -9.830 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.383 -0.094 -8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.182 -0.286 -12.229 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.502 -2.036 -12.240 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.755 -0.907 -11.674 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.575 2.024 -9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.729 0.692 -9.482 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.814 1.346 -10.861 1.00 0.00 H new ATOM 423 N THR A 33 1.062 -3.388 -8.430 1.00 0.00 N ATOM 424 CA THR A 33 1.906 -3.753 -7.299 1.00 0.00 C ATOM 425 C THR A 33 2.913 -2.652 -6.987 1.00 0.00 C ATOM 426 O THR A 33 3.826 -2.374 -7.765 1.00 0.00 O ATOM 427 CB THR A 33 2.664 -5.066 -7.565 1.00 0.00 C ATOM 428 OG1 THR A 33 1.771 -6.048 -8.103 1.00 0.00 O ATOM 429 CG2 THR A 33 3.296 -5.595 -6.286 1.00 0.00 C ATOM 0 H THR A 33 1.395 -3.728 -9.332 1.00 0.00 H new ATOM 0 HA THR A 33 1.246 -3.891 -6.443 1.00 0.00 H new ATOM 0 HB THR A 33 3.456 -4.862 -8.286 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.262 -6.879 -8.271 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.826 -6.523 -6.499 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.998 -4.858 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.518 -5.783 -5.546 1.00 0.00 H new ATOM 437 N PRO A 34 2.746 -2.008 -5.822 1.00 0.00 N ATOM 438 CA PRO A 34 3.632 -0.928 -5.380 1.00 0.00 C ATOM 439 C PRO A 34 5.024 -1.433 -5.014 1.00 0.00 C ATOM 440 O PRO A 34 6.023 -0.751 -5.245 1.00 0.00 O ATOM 441 CB PRO A 34 2.923 -0.371 -4.143 1.00 0.00 C ATOM 442 CG PRO A 34 2.103 -1.505 -3.634 1.00 0.00 C ATOM 443 CD PRO A 34 1.679 -2.287 -4.846 1.00 0.00 C ATOM 0 HA PRO A 34 3.795 -0.188 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.640 -0.033 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.299 0.486 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.680 -2.128 -2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.237 -1.142 -3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.601 -3.352 -4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.705 -1.964 -5.212 1.00 0.00 H new ATOM 451 N CYS A 35 5.082 -2.631 -4.443 1.00 0.00 N ATOM 452 CA CYS A 35 6.351 -3.228 -4.044 1.00 0.00 C ATOM 453 C CYS A 35 6.292 -4.749 -4.147 1.00 0.00 C ATOM 454 O CYS A 35 5.286 -5.315 -4.576 1.00 0.00 O ATOM 455 CB CYS A 35 6.706 -2.816 -2.614 1.00 0.00 C ATOM 456 SG CYS A 35 5.511 -3.380 -1.360 1.00 0.00 S ATOM 0 H CYS A 35 4.264 -3.208 -4.246 1.00 0.00 H new ATOM 0 HA CYS A 35 7.124 -2.865 -4.722 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.691 -3.213 -2.367 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.779 -1.729 -2.568 1.00 0.00 H new ATOM 461 N HIS A 36 7.378 -5.406 -3.751 1.00 0.00 N ATOM 462 CA HIS A 36 7.451 -6.862 -3.798 1.00 0.00 C ATOM 463 C HIS A 36 6.266 -7.488 -3.068 1.00 0.00 C ATOM 464 O HIS A 36 5.633 -8.416 -3.573 1.00 0.00 O ATOM 465 CB HIS A 36 8.761 -7.348 -3.178 1.00 0.00 C ATOM 466 CG HIS A 36 9.962 -6.580 -3.636 1.00 0.00 C ATOM 467 ND1 HIS A 36 10.408 -5.348 -3.295 1.00 0.00 N flip ATOM 468 CD2 HIS A 36 10.862 -7.070 -4.558 1.00 0.00 C flip ATOM 469 CE1 HIS A 36 11.558 -5.119 -4.009 1.00 0.00 C flip ATOM 470 NE2 HIS A 36 11.811 -6.173 -4.763 1.00 0.00 N flip ATOM 0 H HIS A 36 8.219 -4.953 -3.394 1.00 0.00 H new ATOM 0 HA HIS A 36 7.416 -7.170 -4.843 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.688 -7.278 -2.093 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.899 -8.402 -3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.801 -8.036 -5.038 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.158 -4.222 -3.962 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.604 -6.277 -5.396 1.00 0.00 H new ATOM 478 N CYS A 37 5.972 -6.976 -1.878 1.00 0.00 N ATOM 479 CA CYS A 37 4.864 -7.485 -1.078 1.00 0.00 C ATOM 480 C CYS A 37 3.612 -7.659 -1.932 1.00 0.00 C ATOM 481 O CYS A 37 2.849 -6.714 -2.138 1.00 0.00 O ATOM 482 CB CYS A 37 4.572 -6.538 0.087 1.00 0.00 C ATOM 483 SG CYS A 37 5.994 -6.256 1.190 1.00 0.00 S ATOM 0 H CYS A 37 6.486 -6.208 -1.446 1.00 0.00 H new ATOM 0 HA CYS A 37 5.151 -8.459 -0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.240 -5.580 -0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.746 -6.943 0.672 1.00 0.00 H new ATOM 488 N THR A 38 3.404 -8.876 -2.427 1.00 0.00 N ATOM 489 CA THR A 38 2.246 -9.175 -3.259 1.00 0.00 C ATOM 490 C THR A 38 1.275 -10.103 -2.538 1.00 0.00 C ATOM 491 O THR A 38 1.503 -10.485 -1.390 1.00 0.00 O ATOM 492 CB THR A 38 2.664 -9.824 -4.592 1.00 0.00 C ATOM 493 OG1 THR A 38 3.486 -10.970 -4.342 1.00 0.00 O ATOM 494 CG2 THR A 38 3.419 -8.833 -5.464 1.00 0.00 C ATOM 0 H THR A 38 4.023 -9.670 -2.265 1.00 0.00 H new ATOM 0 HA THR A 38 1.752 -8.225 -3.465 1.00 0.00 H new ATOM 0 HB THR A 38 1.761 -10.132 -5.119 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.746 -11.378 -5.194 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.704 -9.315 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.781 -7.976 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.315 -8.498 -4.942 1.00 0.00 H new ATOM 502 N GLY A 39 0.191 -10.464 -3.218 1.00 0.00 N ATOM 503 CA GLY A 39 -0.797 -11.346 -2.625 1.00 0.00 C ATOM 504 C GLY A 39 -1.852 -10.590 -1.841 1.00 0.00 C ATOM 505 O GLY A 39 -3.031 -10.613 -2.193 1.00 0.00 O ATOM 0 H GLY A 39 -0.020 -10.161 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.279 -11.927 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.297 -12.055 -1.965 1.00 0.00 H new ATOM 509 N SER A 40 -1.428 -9.920 -0.775 1.00 0.00 N ATOM 510 CA SER A 40 -2.345 -9.158 0.064 1.00 0.00 C ATOM 511 C SER A 40 -3.047 -8.072 -0.745 1.00 0.00 C ATOM 512 O SER A 40 -2.909 -8.005 -1.967 1.00 0.00 O ATOM 513 CB SER A 40 -1.593 -8.530 1.240 1.00 0.00 C ATOM 514 OG SER A 40 -2.447 -8.358 2.358 1.00 0.00 O ATOM 0 H SER A 40 -0.455 -9.889 -0.472 1.00 0.00 H new ATOM 0 HA SER A 40 -3.100 -9.843 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.750 -9.163 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.183 -7.566 0.940 1.00 0.00 H new ATOM 0 HG SER A 40 -1.943 -7.957 3.096 1.00 0.00 H new ATOM 520 N LEU A 41 -3.799 -7.222 -0.054 1.00 0.00 N ATOM 521 CA LEU A 41 -4.523 -6.137 -0.707 1.00 0.00 C ATOM 522 C LEU A 41 -3.559 -5.082 -1.240 1.00 0.00 C ATOM 523 O LEU A 41 -3.977 -4.089 -1.837 1.00 0.00 O ATOM 524 CB LEU A 41 -5.510 -5.495 0.270 1.00 0.00 C ATOM 525 CG LEU A 41 -6.690 -6.367 0.702 1.00 0.00 C ATOM 526 CD1 LEU A 41 -7.428 -6.906 -0.513 1.00 0.00 C ATOM 527 CD2 LEU A 41 -6.213 -7.508 1.589 1.00 0.00 C ATOM 0 H LEU A 41 -3.923 -7.263 0.958 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.075 -6.557 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.962 -5.192 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.903 -4.587 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.381 -5.751 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.264 -7.524 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.803 -6.074 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.747 -7.507 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.066 -8.118 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.501 -8.123 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.730 -7.101 2.477 1.00 0.00 H new ATOM 539 N HIS A 42 -2.267 -5.304 -1.022 1.00 0.00 N ATOM 540 CA HIS A 42 -1.242 -4.374 -1.483 1.00 0.00 C ATOM 541 C HIS A 42 -1.660 -3.711 -2.792 1.00 0.00 C ATOM 542 O HIS A 42 -1.345 -2.546 -3.038 1.00 0.00 O ATOM 543 CB HIS A 42 0.090 -5.100 -1.668 1.00 0.00 C ATOM 544 CG HIS A 42 1.016 -4.961 -0.499 1.00 0.00 C ATOM 545 ND1 HIS A 42 0.790 -5.571 0.717 1.00 0.00 N ATOM 546 CD2 HIS A 42 2.177 -4.278 -0.366 1.00 0.00 C ATOM 547 CE1 HIS A 42 1.771 -5.267 1.548 1.00 0.00 C ATOM 548 NE2 HIS A 42 2.626 -4.484 0.916 1.00 0.00 N ATOM 0 H HIS A 42 -1.905 -6.120 -0.529 1.00 0.00 H new ATOM 0 HA HIS A 42 -1.122 -3.599 -0.726 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.104 -6.158 -1.843 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.584 -4.714 -2.560 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.660 -3.682 -1.126 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.859 -5.602 2.571 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.481 -4.095 1.315 1.00 0.00 H new ATOM 556 N PHE A 43 -2.371 -4.460 -3.628 1.00 0.00 N ATOM 557 CA PHE A 43 -2.830 -3.945 -4.913 1.00 0.00 C ATOM 558 C PHE A 43 -3.593 -2.636 -4.733 1.00 0.00 C ATOM 559 O PHE A 43 -4.806 -2.634 -4.526 1.00 0.00 O ATOM 560 CB PHE A 43 -3.721 -4.976 -5.610 1.00 0.00 C ATOM 561 CG PHE A 43 -3.387 -6.396 -5.253 1.00 0.00 C ATOM 562 CD1 PHE A 43 -2.114 -6.898 -5.470 1.00 0.00 C ATOM 563 CD2 PHE A 43 -4.347 -7.228 -4.700 1.00 0.00 C ATOM 564 CE1 PHE A 43 -1.805 -8.205 -5.142 1.00 0.00 C ATOM 565 CE2 PHE A 43 -4.043 -8.536 -4.370 1.00 0.00 C ATOM 566 CZ PHE A 43 -2.770 -9.024 -4.591 1.00 0.00 C ATOM 0 H PHE A 43 -2.642 -5.425 -3.439 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.955 -3.752 -5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.761 -4.780 -5.351 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.632 -4.851 -6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.355 -6.261 -5.900 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.344 -6.851 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.809 -8.585 -5.317 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.800 -9.175 -3.940 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.530 -10.045 -4.333 1.00 0.00 H new ATOM 576 N VAL A 44 -2.871 -1.522 -4.814 1.00 0.00 N ATOM 577 CA VAL A 44 -3.479 -0.205 -4.660 1.00 0.00 C ATOM 578 C VAL A 44 -3.556 0.523 -5.997 1.00 0.00 C ATOM 579 O VAL A 44 -3.002 0.067 -6.998 1.00 0.00 O ATOM 580 CB VAL A 44 -2.692 0.663 -3.660 1.00 0.00 C ATOM 581 CG1 VAL A 44 -2.341 -0.141 -2.417 1.00 0.00 C ATOM 582 CG2 VAL A 44 -1.439 1.225 -4.314 1.00 0.00 C ATOM 0 H VAL A 44 -1.866 -1.505 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.487 -0.364 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.321 1.500 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.785 0.488 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.256 -0.490 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.730 -0.998 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.895 1.836 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.803 0.405 -4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.719 1.838 -5.171 1.00 0.00 H new ATOM 592 N HIS A 45 -4.246 1.659 -6.007 1.00 0.00 N ATOM 593 CA HIS A 45 -4.395 2.453 -7.222 1.00 0.00 C ATOM 594 C HIS A 45 -3.216 3.405 -7.397 1.00 0.00 C ATOM 595 O HIS A 45 -2.834 4.112 -6.465 1.00 0.00 O ATOM 596 CB HIS A 45 -5.703 3.244 -7.182 1.00 0.00 C ATOM 597 CG HIS A 45 -6.923 2.392 -7.346 1.00 0.00 C ATOM 598 ND1 HIS A 45 -8.204 2.868 -7.156 1.00 0.00 N ATOM 599 CD2 HIS A 45 -7.054 1.088 -7.685 1.00 0.00 C ATOM 600 CE1 HIS A 45 -9.069 1.893 -7.370 1.00 0.00 C ATOM 601 NE2 HIS A 45 -8.397 0.802 -7.692 1.00 0.00 N ATOM 0 H HIS A 45 -4.711 2.051 -5.188 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.417 1.771 -8.072 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.767 3.777 -6.233 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.687 3.997 -7.970 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.445 3.823 -6.892 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.252 0.401 -7.908 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.143 1.974 -7.295 1.00 0.00 H new ATOM 609 N GLN A 46 -2.643 3.416 -8.597 1.00 0.00 N ATOM 610 CA GLN A 46 -1.507 4.280 -8.892 1.00 0.00 C ATOM 611 C GLN A 46 -1.696 5.660 -8.272 1.00 0.00 C ATOM 612 O GLN A 46 -0.749 6.257 -7.760 1.00 0.00 O ATOM 613 CB GLN A 46 -1.317 4.410 -10.405 1.00 0.00 C ATOM 614 CG GLN A 46 -0.261 5.429 -10.801 1.00 0.00 C ATOM 615 CD GLN A 46 -0.550 6.079 -12.139 1.00 0.00 C ATOM 616 OE1 GLN A 46 -1.578 6.733 -12.316 1.00 0.00 O ATOM 617 NE2 GLN A 46 0.358 5.901 -13.092 1.00 0.00 N ATOM 0 H GLN A 46 -2.947 2.837 -9.379 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.616 3.826 -8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.042 3.437 -10.813 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.268 4.689 -10.859 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.199 6.200 -10.033 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.713 4.941 -10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.196 5.351 -12.902 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.217 6.314 -14.014 1.00 0.00 H new ATOM 626 N ALA A 47 -2.926 6.162 -8.322 1.00 0.00 N ATOM 627 CA ALA A 47 -3.240 7.472 -7.763 1.00 0.00 C ATOM 628 C ALA A 47 -3.327 7.413 -6.242 1.00 0.00 C ATOM 629 O ALA A 47 -2.552 8.064 -5.540 1.00 0.00 O ATOM 630 CB ALA A 47 -4.542 7.997 -8.348 1.00 0.00 C ATOM 0 H ALA A 47 -3.721 5.682 -8.744 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.434 8.156 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.764 8.975 -7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.445 8.086 -9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.352 7.306 -8.112 1.00 0.00 H new ATOM 636 N CYS A 48 -4.274 6.629 -5.738 1.00 0.00 N ATOM 637 CA CYS A 48 -4.463 6.486 -4.299 1.00 0.00 C ATOM 638 C CYS A 48 -3.121 6.437 -3.576 1.00 0.00 C ATOM 639 O CYS A 48 -2.901 7.159 -2.602 1.00 0.00 O ATOM 640 CB CYS A 48 -5.266 5.220 -3.993 1.00 0.00 C ATOM 641 SG CYS A 48 -7.045 5.361 -4.361 1.00 0.00 S ATOM 0 H CYS A 48 -4.923 6.083 -6.305 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.016 7.355 -3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.851 4.392 -4.568 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.142 4.970 -2.939 1.00 0.00 H new ATOM 646 N LEU A 49 -2.226 5.582 -4.059 1.00 0.00 N ATOM 647 CA LEU A 49 -0.904 5.438 -3.459 1.00 0.00 C ATOM 648 C LEU A 49 -0.368 6.788 -2.993 1.00 0.00 C ATOM 649 O LEU A 49 0.178 6.904 -1.896 1.00 0.00 O ATOM 650 CB LEU A 49 0.066 4.809 -4.461 1.00 0.00 C ATOM 651 CG LEU A 49 1.507 4.633 -3.980 1.00 0.00 C ATOM 652 CD1 LEU A 49 1.557 3.715 -2.769 1.00 0.00 C ATOM 653 CD2 LEU A 49 2.381 4.089 -5.100 1.00 0.00 C ATOM 0 H LEU A 49 -2.392 4.978 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.994 4.785 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.322 3.832 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.077 5.424 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 49 1.893 5.609 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.590 3.602 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.965 4.146 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.152 2.739 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.403 3.970 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.996 3.122 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.371 4.784 -5.940 1.00 0.00 H new ATOM 665 N GLN A 50 -0.530 7.805 -3.833 1.00 0.00 N ATOM 666 CA GLN A 50 -0.063 9.147 -3.506 1.00 0.00 C ATOM 667 C GLN A 50 -0.675 9.632 -2.196 1.00 0.00 C ATOM 668 O GLN A 50 0.040 9.933 -1.241 1.00 0.00 O ATOM 669 CB GLN A 50 -0.409 10.120 -4.635 1.00 0.00 C ATOM 670 CG GLN A 50 0.074 9.662 -6.002 1.00 0.00 C ATOM 671 CD GLN A 50 -0.784 10.193 -7.133 1.00 0.00 C ATOM 672 OE1 GLN A 50 -2.009 10.257 -7.020 1.00 0.00 O ATOM 673 NE2 GLN A 50 -0.145 10.578 -8.231 1.00 0.00 N ATOM 0 H GLN A 50 -0.981 7.725 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 50 1.020 9.109 -3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.490 10.256 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.028 11.093 -4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.103 9.989 -6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.078 8.573 -6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.871 10.507 -8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.670 10.945 -9.025 1.00 0.00 H new ATOM 682 N GLN A 51 -2.001 9.706 -2.160 1.00 0.00 N ATOM 683 CA GLN A 51 -2.709 10.155 -0.967 1.00 0.00 C ATOM 684 C GLN A 51 -2.136 9.500 0.285 1.00 0.00 C ATOM 685 O GLN A 51 -1.929 10.160 1.303 1.00 0.00 O ATOM 686 CB GLN A 51 -4.201 9.840 -1.084 1.00 0.00 C ATOM 687 CG GLN A 51 -4.903 10.619 -2.185 1.00 0.00 C ATOM 688 CD GLN A 51 -5.333 12.002 -1.738 1.00 0.00 C ATOM 689 OE1 GLN A 51 -6.170 12.147 -0.847 1.00 0.00 O ATOM 690 NE2 GLN A 51 -4.761 13.029 -2.357 1.00 0.00 N ATOM 0 H GLN A 51 -2.607 9.461 -2.943 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.578 11.234 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.325 8.773 -1.269 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.685 10.056 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.236 10.709 -3.043 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.778 10.061 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.072 12.863 -3.090 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.011 13.984 -2.099 1.00 0.00 H new ATOM 699 N TRP A 52 -1.882 8.199 0.202 1.00 0.00 N ATOM 700 CA TRP A 52 -1.332 7.455 1.330 1.00 0.00 C ATOM 701 C TRP A 52 0.099 7.890 1.624 1.00 0.00 C ATOM 702 O TRP A 52 0.459 8.129 2.777 1.00 0.00 O ATOM 703 CB TRP A 52 -1.373 5.953 1.044 1.00 0.00 C ATOM 704 CG TRP A 52 -0.798 5.122 2.151 1.00 0.00 C ATOM 705 CD1 TRP A 52 -1.477 4.574 3.202 1.00 0.00 C ATOM 706 CD2 TRP A 52 0.573 4.746 2.317 1.00 0.00 C ATOM 707 NE1 TRP A 52 -0.609 3.881 4.012 1.00 0.00 N ATOM 708 CE2 TRP A 52 0.654 3.970 3.490 1.00 0.00 C ATOM 709 CE3 TRP A 52 1.741 4.988 1.588 1.00 0.00 C ATOM 710 CZ2 TRP A 52 1.856 3.437 3.948 1.00 0.00 C ATOM 711 CZ3 TRP A 52 2.933 4.458 2.044 1.00 0.00 C ATOM 712 CH2 TRP A 52 2.983 3.690 3.215 1.00 0.00 C ATOM 0 H TRP A 52 -2.048 7.638 -0.633 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.943 7.668 2.207 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.406 5.651 0.872 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.824 5.750 0.124 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.539 4.671 3.372 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.864 3.381 4.864 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.712 5.579 0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.897 2.845 4.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.841 4.639 1.488 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.930 3.290 3.545 1.00 0.00 H new ATOM 723 N ILE A 53 0.909 7.991 0.576 1.00 0.00 N ATOM 724 CA ILE A 53 2.301 8.399 0.724 1.00 0.00 C ATOM 725 C ILE A 53 2.410 9.711 1.494 1.00 0.00 C ATOM 726 O ILE A 53 3.163 9.815 2.462 1.00 0.00 O ATOM 727 CB ILE A 53 2.988 8.561 -0.644 1.00 0.00 C ATOM 728 CG1 ILE A 53 3.316 7.190 -1.240 1.00 0.00 C ATOM 729 CG2 ILE A 53 4.250 9.401 -0.508 1.00 0.00 C ATOM 730 CD1 ILE A 53 3.750 7.249 -2.688 1.00 0.00 C ATOM 0 H ILE A 53 0.626 7.796 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 53 2.804 7.610 1.283 1.00 0.00 H new ATOM 0 HB ILE A 53 2.304 9.076 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.107 6.726 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.439 6.548 -1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.724 9.506 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.991 10.387 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.940 8.912 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.966 6.242 -3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.952 7.683 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.645 7.865 -2.775 1.00 0.00 H new ATOM 742 N LYS A 54 1.652 10.712 1.057 1.00 0.00 N ATOM 743 CA LYS A 54 1.660 12.018 1.706 1.00 0.00 C ATOM 744 C LYS A 54 1.080 11.929 3.114 1.00 0.00 C ATOM 745 O LYS A 54 1.622 12.507 4.056 1.00 0.00 O ATOM 746 CB LYS A 54 0.863 13.027 0.876 1.00 0.00 C ATOM 747 CG LYS A 54 1.345 13.152 -0.558 1.00 0.00 C ATOM 748 CD LYS A 54 0.839 14.429 -1.207 1.00 0.00 C ATOM 749 CE LYS A 54 1.793 14.923 -2.284 1.00 0.00 C ATOM 750 NZ LYS A 54 1.442 16.293 -2.750 1.00 0.00 N ATOM 0 H LYS A 54 1.024 10.643 0.256 1.00 0.00 H new ATOM 0 HA LYS A 54 2.694 12.354 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.187 12.733 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.919 14.004 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.435 13.139 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.005 12.291 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.144 14.252 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.716 15.201 -0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.811 14.921 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.773 14.236 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.115 16.593 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.480 16.290 -3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.486 16.954 -1.948 1.00 0.00 H new ATOM 764 N SER A 55 -0.023 11.201 3.250 1.00 0.00 N ATOM 765 CA SER A 55 -0.678 11.040 4.543 1.00 0.00 C ATOM 766 C SER A 55 0.287 10.455 5.571 1.00 0.00 C ATOM 767 O SER A 55 0.580 11.081 6.589 1.00 0.00 O ATOM 768 CB SER A 55 -1.905 10.136 4.408 1.00 0.00 C ATOM 769 OG SER A 55 -2.695 10.169 5.584 1.00 0.00 O ATOM 0 H SER A 55 -0.482 10.713 2.481 1.00 0.00 H new ATOM 0 HA SER A 55 -0.996 12.024 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.504 10.455 3.555 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.587 9.113 4.209 1.00 0.00 H new ATOM 0 HG SER A 55 -3.474 9.585 5.472 1.00 0.00 H new ATOM 775 N SER A 56 0.778 9.251 5.295 1.00 0.00 N ATOM 776 CA SER A 56 1.706 8.579 6.196 1.00 0.00 C ATOM 777 C SER A 56 3.133 9.073 5.973 1.00 0.00 C ATOM 778 O SER A 56 4.095 8.441 6.409 1.00 0.00 O ATOM 779 CB SER A 56 1.641 7.064 5.993 1.00 0.00 C ATOM 780 OG SER A 56 1.667 6.733 4.615 1.00 0.00 O ATOM 0 H SER A 56 0.548 8.721 4.454 1.00 0.00 H new ATOM 0 HA SER A 56 1.414 8.814 7.220 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.481 6.589 6.500 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.731 6.672 6.448 1.00 0.00 H new ATOM 0 HG SER A 56 1.399 5.798 4.498 1.00 0.00 H new ATOM 786 N ASP A 57 3.260 10.206 5.292 1.00 0.00 N ATOM 787 CA ASP A 57 4.568 10.787 5.011 1.00 0.00 C ATOM 788 C ASP A 57 5.597 9.697 4.731 1.00 0.00 C ATOM 789 O ASP A 57 6.743 9.781 5.175 1.00 0.00 O ATOM 790 CB ASP A 57 5.028 11.652 6.186 1.00 0.00 C ATOM 791 CG ASP A 57 6.057 12.686 5.774 1.00 0.00 C ATOM 792 OD1 ASP A 57 7.159 12.288 5.342 1.00 0.00 O ATOM 793 OD2 ASP A 57 5.761 13.895 5.885 1.00 0.00 O ATOM 0 H ASP A 57 2.473 10.741 4.924 1.00 0.00 H new ATOM 0 HA ASP A 57 4.478 11.413 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.165 12.156 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.450 11.012 6.961 1.00 0.00 H new ATOM 798 N THR A 58 5.182 8.672 3.993 1.00 0.00 N ATOM 799 CA THR A 58 6.067 7.565 3.656 1.00 0.00 C ATOM 800 C THR A 58 6.004 7.244 2.167 1.00 0.00 C ATOM 801 O THR A 58 4.924 7.054 1.608 1.00 0.00 O ATOM 802 CB THR A 58 5.712 6.298 4.457 1.00 0.00 C ATOM 803 OG1 THR A 58 5.818 6.560 5.861 1.00 0.00 O ATOM 804 CG2 THR A 58 6.629 5.144 4.080 1.00 0.00 C ATOM 0 H THR A 58 4.238 8.586 3.617 1.00 0.00 H new ATOM 0 HA THR A 58 7.078 7.879 3.915 1.00 0.00 H new ATOM 0 HB THR A 58 4.686 6.019 4.217 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.057 7.106 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.359 4.261 4.659 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.523 4.928 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.663 5.416 4.294 1.00 0.00 H new ATOM 812 N ARG A 59 7.169 7.186 1.529 1.00 0.00 N ATOM 813 CA ARG A 59 7.245 6.889 0.104 1.00 0.00 C ATOM 814 C ARG A 59 7.580 5.418 -0.128 1.00 0.00 C ATOM 815 O ARG A 59 7.160 4.825 -1.122 1.00 0.00 O ATOM 816 CB ARG A 59 8.297 7.774 -0.567 1.00 0.00 C ATOM 817 CG ARG A 59 7.896 9.238 -0.652 1.00 0.00 C ATOM 818 CD ARG A 59 7.727 9.850 0.730 1.00 0.00 C ATOM 819 NE ARG A 59 7.874 11.303 0.707 1.00 0.00 N ATOM 820 CZ ARG A 59 9.046 11.924 0.778 1.00 0.00 C ATOM 821 NH1 ARG A 59 10.167 11.223 0.875 1.00 0.00 N ATOM 822 NH2 ARG A 59 9.098 13.250 0.750 1.00 0.00 N ATOM 0 H ARG A 59 8.072 7.341 1.977 1.00 0.00 H new ATOM 0 HA ARG A 59 6.270 7.096 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.233 7.694 -0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.487 7.399 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.653 9.792 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.963 9.329 -1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.744 9.591 1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.465 9.422 1.409 1.00 0.00 H new ATOM 0 HE ARG A 59 7.031 11.872 0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.131 10.204 0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.065 11.703 0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.238 13.793 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.998 13.726 0.805 1.00 0.00 H new ATOM 836 N CYS A 60 8.339 4.837 0.795 1.00 0.00 N ATOM 837 CA CYS A 60 8.732 3.437 0.691 1.00 0.00 C ATOM 838 C CYS A 60 7.780 2.545 1.481 1.00 0.00 C ATOM 839 O CYS A 60 6.854 3.030 2.132 1.00 0.00 O ATOM 840 CB CYS A 60 10.164 3.248 1.195 1.00 0.00 C ATOM 841 SG CYS A 60 11.342 4.452 0.538 1.00 0.00 S ATOM 0 H CYS A 60 8.694 5.314 1.624 1.00 0.00 H new ATOM 0 HA CYS A 60 8.684 3.149 -0.359 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.166 3.310 2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.501 2.245 0.932 1.00 0.00 H new ATOM 0 HG CYS A 60 12.524 4.212 1.023 1.00 0.00 H new ATOM 847 N CYS A 61 8.013 1.238 1.419 1.00 0.00 N ATOM 848 CA CYS A 61 7.176 0.277 2.127 1.00 0.00 C ATOM 849 C CYS A 61 7.398 0.368 3.634 1.00 0.00 C ATOM 850 O CYS A 61 8.341 1.011 4.094 1.00 0.00 O ATOM 851 CB CYS A 61 7.473 -1.144 1.642 1.00 0.00 C ATOM 852 SG CYS A 61 6.206 -2.368 2.107 1.00 0.00 S ATOM 0 H CYS A 61 8.775 0.820 0.885 1.00 0.00 H new ATOM 0 HA CYS A 61 6.134 0.516 1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.571 -1.133 0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.435 -1.461 2.046 1.00 0.00 H new ATOM 857 N GLU A 62 6.522 -0.280 4.395 1.00 0.00 N ATOM 858 CA GLU A 62 6.623 -0.272 5.850 1.00 0.00 C ATOM 859 C GLU A 62 7.430 -1.467 6.347 1.00 0.00 C ATOM 860 O GLU A 62 8.000 -1.436 7.439 1.00 0.00 O ATOM 861 CB GLU A 62 5.228 -0.287 6.480 1.00 0.00 C ATOM 862 CG GLU A 62 5.246 -0.340 7.998 1.00 0.00 C ATOM 863 CD GLU A 62 5.993 0.827 8.614 1.00 0.00 C ATOM 864 OE1 GLU A 62 7.207 0.959 8.350 1.00 0.00 O ATOM 865 OE2 GLU A 62 5.365 1.607 9.359 1.00 0.00 O ATOM 0 H GLU A 62 5.735 -0.816 4.029 1.00 0.00 H new ATOM 0 HA GLU A 62 7.139 0.641 6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.686 0.604 6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.677 -1.148 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.221 -0.347 8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.709 -1.273 8.320 1.00 0.00 H new ATOM 872 N LEU A 63 7.474 -2.521 5.539 1.00 0.00 N ATOM 873 CA LEU A 63 8.211 -3.728 5.895 1.00 0.00 C ATOM 874 C LEU A 63 9.480 -3.859 5.058 1.00 0.00 C ATOM 875 O LEU A 63 10.592 -3.823 5.586 1.00 0.00 O ATOM 876 CB LEU A 63 7.330 -4.963 5.703 1.00 0.00 C ATOM 877 CG LEU A 63 6.002 -4.965 6.461 1.00 0.00 C ATOM 878 CD1 LEU A 63 5.090 -6.065 5.939 1.00 0.00 C ATOM 879 CD2 LEU A 63 6.241 -5.131 7.955 1.00 0.00 C ATOM 0 H LEU A 63 7.008 -2.564 4.633 1.00 0.00 H new ATOM 0 HA LEU A 63 8.496 -3.653 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.118 -5.072 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.900 -5.842 6.006 1.00 0.00 H new ATOM 0 HG LEU A 63 5.510 -4.006 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.150 -6.051 6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.892 -5.901 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.574 -7.033 6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.285 -5.130 8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.755 -6.075 8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.855 -4.307 8.319 1.00 0.00 H new ATOM 891 N CYS A 64 9.305 -4.010 3.749 1.00 0.00 N ATOM 892 CA CYS A 64 10.435 -4.144 2.837 1.00 0.00 C ATOM 893 C CYS A 64 11.077 -2.787 2.563 1.00 0.00 C ATOM 894 O CYS A 64 12.092 -2.697 1.872 1.00 0.00 O ATOM 895 CB CYS A 64 9.982 -4.781 1.522 1.00 0.00 C ATOM 896 SG CYS A 64 8.974 -3.684 0.473 1.00 0.00 S ATOM 0 H CYS A 64 8.392 -4.043 3.296 1.00 0.00 H new ATOM 0 HA CYS A 64 11.177 -4.788 3.309 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.862 -5.095 0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.408 -5.681 1.745 1.00 0.00 H new ATOM 901 N LYS A 65 10.479 -1.735 3.110 1.00 0.00 N ATOM 902 CA LYS A 65 10.993 -0.382 2.928 1.00 0.00 C ATOM 903 C LYS A 65 11.436 -0.159 1.486 1.00 0.00 C ATOM 904 O LYS A 65 12.560 0.275 1.232 1.00 0.00 O ATOM 905 CB LYS A 65 12.164 -0.127 3.879 1.00 0.00 C ATOM 906 CG LYS A 65 11.747 0.031 5.330 1.00 0.00 C ATOM 907 CD LYS A 65 11.408 -1.309 5.962 1.00 0.00 C ATOM 908 CE LYS A 65 11.652 -1.296 7.463 1.00 0.00 C ATOM 909 NZ LYS A 65 13.103 -1.374 7.790 1.00 0.00 N ATOM 0 H LYS A 65 9.637 -1.793 3.683 1.00 0.00 H new ATOM 0 HA LYS A 65 10.190 0.319 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.871 -0.953 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.690 0.773 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.552 0.506 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.883 0.692 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.364 -1.552 5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.010 -2.092 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.232 -0.386 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.130 -2.135 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.221 -1.516 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.532 -2.171 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.571 -0.489 7.507 1.00 0.00 H new ATOM 923 N TYR A 66 10.546 -0.456 0.545 1.00 0.00 N ATOM 924 CA TYR A 66 10.847 -0.288 -0.872 1.00 0.00 C ATOM 925 C TYR A 66 10.109 0.917 -1.446 1.00 0.00 C ATOM 926 O TYR A 66 8.902 1.067 -1.257 1.00 0.00 O ATOM 927 CB TYR A 66 10.467 -1.550 -1.648 1.00 0.00 C ATOM 928 CG TYR A 66 10.568 -1.391 -3.148 1.00 0.00 C ATOM 929 CD1 TYR A 66 11.762 -1.639 -3.814 1.00 0.00 C ATOM 930 CD2 TYR A 66 9.469 -0.992 -3.900 1.00 0.00 C ATOM 931 CE1 TYR A 66 11.859 -1.495 -5.185 1.00 0.00 C ATOM 932 CE2 TYR A 66 9.557 -0.847 -5.270 1.00 0.00 C ATOM 933 CZ TYR A 66 10.753 -1.099 -5.908 1.00 0.00 C ATOM 934 OH TYR A 66 10.844 -0.954 -7.274 1.00 0.00 O ATOM 0 H TYR A 66 9.611 -0.814 0.738 1.00 0.00 H new ATOM 0 HA TYR A 66 11.919 -0.116 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.114 -2.369 -1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.447 -1.833 -1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 66 12.629 -1.950 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.531 -0.792 -3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 66 12.795 -1.691 -5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.693 -0.538 -5.839 1.00 0.00 H new ATOM 0 HH TYR A 66 9.977 -0.671 -7.631 1.00 0.00 H new ATOM 944 N GLU A 67 10.844 1.774 -2.149 1.00 0.00 N ATOM 945 CA GLU A 67 10.259 2.966 -2.751 1.00 0.00 C ATOM 946 C GLU A 67 9.163 2.592 -3.745 1.00 0.00 C ATOM 947 O GLU A 67 9.384 1.799 -4.660 1.00 0.00 O ATOM 948 CB GLU A 67 11.339 3.792 -3.453 1.00 0.00 C ATOM 949 CG GLU A 67 11.076 5.288 -3.424 1.00 0.00 C ATOM 950 CD GLU A 67 12.324 6.105 -3.696 1.00 0.00 C ATOM 951 OE1 GLU A 67 13.291 5.988 -2.914 1.00 0.00 O ATOM 952 OE2 GLU A 67 12.334 6.862 -4.689 1.00 0.00 O ATOM 0 H GLU A 67 11.844 1.665 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 67 9.815 3.563 -1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.301 3.592 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.418 3.465 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.316 5.534 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.671 5.563 -2.450 1.00 0.00 H new ATOM 959 N PHE A 68 7.981 3.169 -3.558 1.00 0.00 N ATOM 960 CA PHE A 68 6.849 2.896 -4.436 1.00 0.00 C ATOM 961 C PHE A 68 6.970 3.682 -5.739 1.00 0.00 C ATOM 962 O PHE A 68 7.871 4.507 -5.897 1.00 0.00 O ATOM 963 CB PHE A 68 5.536 3.248 -3.735 1.00 0.00 C ATOM 964 CG PHE A 68 5.274 2.426 -2.506 1.00 0.00 C ATOM 965 CD1 PHE A 68 5.517 1.062 -2.503 1.00 0.00 C ATOM 966 CD2 PHE A 68 4.784 3.018 -1.352 1.00 0.00 C ATOM 967 CE1 PHE A 68 5.277 0.303 -1.373 1.00 0.00 C ATOM 968 CE2 PHE A 68 4.543 2.264 -0.219 1.00 0.00 C ATOM 969 CZ PHE A 68 4.788 0.905 -0.230 1.00 0.00 C ATOM 0 H PHE A 68 7.782 3.829 -2.806 1.00 0.00 H new ATOM 0 HA PHE A 68 6.852 1.832 -4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.551 4.303 -3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.712 3.113 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.899 0.586 -3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.588 4.080 -1.338 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.472 -0.759 -1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.163 2.737 0.674 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.598 0.314 0.654 1.00 0.00 H new ATOM 979 N ILE A 69 6.057 3.419 -6.668 1.00 0.00 N ATOM 980 CA ILE A 69 6.061 4.101 -7.956 1.00 0.00 C ATOM 981 C ILE A 69 5.133 5.311 -7.940 1.00 0.00 C ATOM 982 O ILE A 69 3.986 5.220 -7.503 1.00 0.00 O ATOM 983 CB ILE A 69 5.634 3.156 -9.095 1.00 0.00 C ATOM 984 CG1 ILE A 69 6.641 2.014 -9.244 1.00 0.00 C ATOM 985 CG2 ILE A 69 5.501 3.926 -10.400 1.00 0.00 C ATOM 986 CD1 ILE A 69 6.307 0.801 -8.405 1.00 0.00 C ATOM 0 H ILE A 69 5.306 2.739 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 69 7.084 4.433 -8.134 1.00 0.00 H new ATOM 0 HB ILE A 69 4.662 2.728 -8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.690 1.718 -10.292 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.632 2.375 -8.968 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.199 3.245 -11.195 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.750 4.707 -10.286 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.459 4.379 -10.655 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.063 0.032 -8.561 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.286 1.082 -7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.331 0.414 -8.697 1.00 0.00 H new ATOM 998 N MET A 70 5.637 6.443 -8.420 1.00 0.00 N ATOM 999 CA MET A 70 4.852 7.671 -8.463 1.00 0.00 C ATOM 1000 C MET A 70 5.195 8.493 -9.702 1.00 0.00 C ATOM 1001 O MET A 70 6.286 8.367 -10.257 1.00 0.00 O ATOM 1002 CB MET A 70 5.095 8.502 -7.202 1.00 0.00 C ATOM 1003 CG MET A 70 4.463 9.884 -7.254 1.00 0.00 C ATOM 1004 SD MET A 70 4.956 10.925 -5.866 1.00 0.00 S ATOM 1005 CE MET A 70 4.196 10.050 -4.500 1.00 0.00 C ATOM 0 H MET A 70 6.585 6.535 -8.785 1.00 0.00 H new ATOM 0 HA MET A 70 3.798 7.397 -8.511 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.701 7.963 -6.340 1.00 0.00 H new ATOM 0 HB3 MET A 70 6.169 8.608 -7.048 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.743 10.373 -8.187 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.378 9.783 -7.260 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.514 10.718 -3.975 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.642 9.192 -4.881 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.969 9.707 -3.812 1.00 0.00 H new ATOM 1015 N GLU A 71 4.257 9.333 -10.129 1.00 0.00 N ATOM 1016 CA GLU A 71 4.462 10.173 -11.302 1.00 0.00 C ATOM 1017 C GLU A 71 3.866 11.561 -11.088 1.00 0.00 C ATOM 1018 O GLU A 71 2.745 11.700 -10.597 1.00 0.00 O ATOM 1019 CB GLU A 71 3.838 9.523 -12.538 1.00 0.00 C ATOM 1020 CG GLU A 71 2.350 9.248 -12.395 1.00 0.00 C ATOM 1021 CD GLU A 71 1.513 10.509 -12.481 1.00 0.00 C ATOM 1022 OE1 GLU A 71 1.647 11.244 -13.481 1.00 0.00 O ATOM 1023 OE2 GLU A 71 0.722 10.760 -11.548 1.00 0.00 O ATOM 0 H GLU A 71 3.349 9.449 -9.680 1.00 0.00 H new ATOM 0 HA GLU A 71 5.536 10.278 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.998 10.172 -13.399 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.354 8.585 -12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.036 8.554 -13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.165 8.758 -11.439 1.00 0.00 H new ATOM 1030 N THR A 72 4.624 12.589 -11.460 1.00 0.00 N ATOM 1031 CA THR A 72 4.173 13.966 -11.308 1.00 0.00 C ATOM 1032 C THR A 72 5.068 14.927 -12.082 1.00 0.00 C ATOM 1033 O THR A 72 6.258 14.670 -12.268 1.00 0.00 O ATOM 1034 CB THR A 72 4.146 14.388 -9.827 1.00 0.00 C ATOM 1035 OG1 THR A 72 3.558 15.687 -9.698 1.00 0.00 O ATOM 1036 CG2 THR A 72 5.551 14.401 -9.243 1.00 0.00 C ATOM 0 H THR A 72 5.553 12.493 -11.869 1.00 0.00 H new ATOM 0 HA THR A 72 3.161 14.013 -11.710 1.00 0.00 H new ATOM 0 HB THR A 72 3.547 13.663 -9.276 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.543 15.947 -8.753 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.507 14.702 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.985 13.404 -9.316 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.169 15.107 -9.798 1.00 0.00 H new ATOM 1044 N LYS A 73 4.489 16.035 -12.532 1.00 0.00 N ATOM 1045 CA LYS A 73 5.235 17.036 -13.285 1.00 0.00 C ATOM 1046 C LYS A 73 4.631 18.424 -13.091 1.00 0.00 C ATOM 1047 O LYS A 73 3.411 18.591 -13.120 1.00 0.00 O ATOM 1048 CB LYS A 73 5.250 16.679 -14.773 1.00 0.00 C ATOM 1049 CG LYS A 73 6.194 17.538 -15.596 1.00 0.00 C ATOM 1050 CD LYS A 73 6.105 17.205 -17.075 1.00 0.00 C ATOM 1051 CE LYS A 73 7.278 17.788 -17.850 1.00 0.00 C ATOM 1052 NZ LYS A 73 7.431 17.150 -19.186 1.00 0.00 N ATOM 0 H LYS A 73 3.505 16.262 -12.388 1.00 0.00 H new ATOM 0 HA LYS A 73 6.258 17.048 -12.910 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.535 15.633 -14.884 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.241 16.779 -15.172 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.955 18.591 -15.444 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.217 17.390 -15.250 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.084 16.123 -17.205 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.171 17.593 -17.481 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.134 18.861 -17.974 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.195 17.654 -17.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.240 17.574 -19.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.594 16.130 -19.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.566 17.300 -19.743 1.00 0.00 H new ATOM 1066 N LEU A 74 5.492 19.416 -12.894 1.00 0.00 N ATOM 1067 CA LEU A 74 5.044 20.790 -12.697 1.00 0.00 C ATOM 1068 C LEU A 74 5.221 21.609 -13.971 1.00 0.00 C ATOM 1069 O LEU A 74 6.247 21.514 -14.645 1.00 0.00 O ATOM 1070 CB LEU A 74 5.818 21.440 -11.548 1.00 0.00 C ATOM 1071 CG LEU A 74 5.288 21.163 -10.141 1.00 0.00 C ATOM 1072 CD1 LEU A 74 3.871 21.693 -9.990 1.00 0.00 C ATOM 1073 CD2 LEU A 74 5.337 19.673 -9.836 1.00 0.00 C ATOM 0 H LEU A 74 6.504 19.295 -12.866 1.00 0.00 H new ATOM 0 HA LEU A 74 3.983 20.767 -12.446 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.853 21.103 -11.597 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.826 22.518 -11.706 1.00 0.00 H new ATOM 0 HG LEU A 74 5.926 21.681 -9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.511 21.487 -8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.864 22.769 -10.164 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.220 21.204 -10.715 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.956 19.495 -8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.723 19.134 -10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.367 19.322 -9.901 1.00 0.00 H new ATOM 1085 N SER A 75 4.215 22.415 -14.295 1.00 0.00 N ATOM 1086 CA SER A 75 4.258 23.250 -15.490 1.00 0.00 C ATOM 1087 C SER A 75 3.298 24.428 -15.365 1.00 0.00 C ATOM 1088 O SER A 75 2.220 24.306 -14.784 1.00 0.00 O ATOM 1089 CB SER A 75 3.910 22.423 -16.729 1.00 0.00 C ATOM 1090 OG SER A 75 2.630 21.829 -16.602 1.00 0.00 O ATOM 0 H SER A 75 3.360 22.508 -13.747 1.00 0.00 H new ATOM 0 HA SER A 75 5.271 23.639 -15.594 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.933 23.060 -17.613 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.662 21.647 -16.875 1.00 0.00 H new ATOM 0 HG SER A 75 2.430 21.307 -17.407 1.00 0.00 H new ATOM 1096 N GLY A 76 3.697 25.571 -15.914 1.00 0.00 N ATOM 1097 CA GLY A 76 2.861 26.756 -15.854 1.00 0.00 C ATOM 1098 C GLY A 76 3.390 27.789 -14.878 1.00 0.00 C ATOM 1099 O GLY A 76 3.922 27.458 -13.819 1.00 0.00 O ATOM 0 H GLY A 76 4.585 25.698 -16.400 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.793 27.200 -16.847 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.850 26.470 -15.563 1.00 0.00 H new ATOM 1103 N PRO A 77 3.246 29.074 -15.236 1.00 0.00 N ATOM 1104 CA PRO A 77 3.708 30.185 -14.398 1.00 0.00 C ATOM 1105 C PRO A 77 2.873 30.342 -13.132 1.00 0.00 C ATOM 1106 O PRO A 77 3.295 30.993 -12.176 1.00 0.00 O ATOM 1107 CB PRO A 77 3.539 31.406 -15.305 1.00 0.00 C ATOM 1108 CG PRO A 77 2.467 31.020 -16.265 1.00 0.00 C ATOM 1109 CD PRO A 77 2.621 29.541 -16.485 1.00 0.00 C ATOM 0 HA PRO A 77 4.729 30.035 -14.048 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.257 32.289 -14.731 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.467 31.645 -15.824 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.481 31.254 -15.864 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.568 31.567 -17.203 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.659 29.058 -16.658 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.246 29.327 -17.352 1.00 0.00 H new ATOM 1117 N SER A 78 1.688 29.740 -13.131 1.00 0.00 N ATOM 1118 CA SER A 78 0.793 29.816 -11.983 1.00 0.00 C ATOM 1119 C SER A 78 0.540 28.430 -11.398 1.00 0.00 C ATOM 1120 O SER A 78 0.320 27.465 -12.131 1.00 0.00 O ATOM 1121 CB SER A 78 -0.534 30.462 -12.386 1.00 0.00 C ATOM 1122 OG SER A 78 -1.228 30.952 -11.252 1.00 0.00 O ATOM 0 H SER A 78 1.326 29.194 -13.913 1.00 0.00 H new ATOM 0 HA SER A 78 1.272 30.431 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.347 31.279 -13.083 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.153 29.733 -12.908 1.00 0.00 H new ATOM 0 HG SER A 78 -2.072 31.361 -11.537 1.00 0.00 H new ATOM 1128 N SER A 79 0.573 28.338 -10.073 1.00 0.00 N ATOM 1129 CA SER A 79 0.352 27.070 -9.388 1.00 0.00 C ATOM 1130 C SER A 79 -1.138 26.751 -9.303 1.00 0.00 C ATOM 1131 O SER A 79 -1.579 25.678 -9.710 1.00 0.00 O ATOM 1132 CB SER A 79 0.957 27.111 -7.984 1.00 0.00 C ATOM 1133 OG SER A 79 2.373 27.117 -8.039 1.00 0.00 O ATOM 0 H SER A 79 0.751 29.127 -9.452 1.00 0.00 H new ATOM 0 HA SER A 79 0.842 26.285 -9.964 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.607 28.000 -7.459 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.616 26.248 -7.412 1.00 0.00 H new ATOM 0 HG SER A 79 2.736 27.145 -7.129 1.00 0.00 H new ATOM 1139 N GLY A 80 -1.909 27.694 -8.769 1.00 0.00 N ATOM 1140 CA GLY A 80 -3.340 27.496 -8.639 1.00 0.00 C ATOM 1141 C GLY A 80 -3.841 27.787 -7.238 1.00 0.00 C ATOM 1142 O GLY A 80 -3.662 28.906 -6.758 1.00 0.00 O ATOM 0 H GLY A 80 -1.567 28.591 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.859 28.141 -9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.587 26.468 -8.904 1.00 0.00 H new TER 1146 GLY A 80 HETATM 1147 ZN ZN A 201 -7.943 3.282 -4.878 1.00 0.00 ZN HETATM 1148 ZN ZN A 401 6.674 -4.107 0.572 1.00 0.00 ZN