USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 565 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 53 HIS : no HD1:sc=-0.000453 X(o=-0.0018,f=0.061) USER MOD Set 1.2: A 54 ASN : amide:sc=-0.00131 X(o=-0.0018,f=0.061) USER MOD Set 2.1: A 30 CYS SG : rot -139:sc= -2.54! USER MOD Set 2.2: A 48 GLN : amide:sc= -2.55 K(o=-5.1,f=-8.7!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 58:sc= 1.17 USER MOD Single : A 13 THR OG1 : rot 150:sc= -1.77! USER MOD Single : A 14 MET CE :methyl 163:sc= -1.41 (180deg=-1.9) USER MOD Single : A 18 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.31) USER MOD Single : A 19 SER OG : rot 51:sc= -0.451! USER MOD Single : A 21 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 41:sc= 1.14 USER MOD Single : A 27 SER OG : rot 170:sc= -1.36 USER MOD Single : A 34 SER OG : rot 72:sc= 1.25 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00257) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -9.75! C(o=-9.7!,f=-16!) USER MOD Single : A 60 CYS SG : rot -79:sc= -2.58! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.307 K(o=0.31,f=-1.3) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.156 USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 -9.006 -10.864 -4.714 1.00 1.00 N ATOM 106 CA SER A 7 -10.328 -11.077 -4.149 1.00 1.00 C ATOM 107 C SER A 7 -10.204 -11.909 -2.871 1.00 1.00 C ATOM 108 O SER A 7 -9.431 -12.878 -2.871 1.00 1.00 O ATOM 109 CB SER A 7 -11.258 -11.771 -5.146 1.00 1.00 C ATOM 110 OG SER A 7 -12.182 -10.861 -5.736 1.00 1.00 O ATOM 0 HA SER A 7 -10.765 -10.106 -3.915 1.00 1.00 H new ATOM 0 HB2 SER A 7 -10.664 -12.243 -5.929 1.00 1.00 H new ATOM 0 HB3 SER A 7 -11.805 -12.566 -4.639 1.00 1.00 H new ATOM 0 HG SER A 7 -12.757 -11.342 -6.368 1.00 1.00 H new ATOM 116 N TYR A 8 -10.954 -11.521 -1.824 1.00 1.00 N ATOM 117 CA TYR A 8 -10.878 -12.266 -0.580 1.00 1.00 C ATOM 118 C TYR A 8 -11.386 -13.691 -0.812 1.00 1.00 C ATOM 119 O TYR A 8 -10.598 -14.628 -0.619 1.00 1.00 O ATOM 120 CB TYR A 8 -11.680 -11.545 0.520 1.00 1.00 C ATOM 121 CG TYR A 8 -10.829 -10.766 1.513 1.00 1.00 C ATOM 122 CD1 TYR A 8 -9.981 -11.454 2.410 1.00 1.00 C ATOM 123 CD2 TYR A 8 -10.875 -9.353 1.541 1.00 1.00 C ATOM 124 CE1 TYR A 8 -9.188 -10.737 3.331 1.00 1.00 C ATOM 125 CE2 TYR A 8 -10.082 -8.635 2.461 1.00 1.00 C ATOM 126 CZ TYR A 8 -9.238 -9.326 3.358 1.00 1.00 C ATOM 127 OH TYR A 8 -8.470 -8.635 4.251 1.00 1.00 O ATOM 0 H TYR A 8 -11.593 -10.726 -1.822 1.00 1.00 H new ATOM 0 HA TYR A 8 -9.843 -12.323 -0.243 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -12.385 -10.860 0.049 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -12.269 -12.282 1.065 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -9.940 -12.533 2.391 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -11.519 -8.822 0.856 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -8.543 -11.268 4.015 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -10.120 -7.556 2.479 1.00 1.00 H new ATOM 0 HH TYR A 8 -7.526 -8.862 4.116 1.00 1.00 H new ATOM 137 N ILE A 9 -12.665 -13.827 -1.205 1.00 1.00 N ATOM 138 CA ILE A 9 -13.262 -15.129 -1.448 1.00 1.00 C ATOM 139 C ILE A 9 -12.419 -15.888 -2.475 1.00 1.00 C ATOM 140 O ILE A 9 -12.165 -17.083 -2.262 1.00 1.00 O ATOM 141 CB ILE A 9 -14.731 -14.979 -1.848 1.00 1.00 C ATOM 142 CG1 ILE A 9 -14.862 -14.262 -3.193 1.00 1.00 C ATOM 143 CG2 ILE A 9 -15.531 -14.282 -0.746 1.00 1.00 C ATOM 144 CD1 ILE A 9 -16.310 -14.288 -3.689 1.00 1.00 C ATOM 0 H ILE A 9 -13.297 -13.041 -1.358 1.00 1.00 H new ATOM 0 HA ILE A 9 -13.264 -15.724 -0.534 1.00 1.00 H new ATOM 0 HB ILE A 9 -15.155 -15.975 -1.972 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -14.526 -13.230 -3.093 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -14.213 -14.738 -3.928 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -16.572 -14.188 -1.056 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -15.477 -14.870 0.170 1.00 1.00 H new ATOM 0 HG23 ILE A 9 -15.115 -13.291 -0.566 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -16.376 -13.772 -4.647 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -16.634 -15.321 -3.811 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -16.952 -13.789 -2.963 1.00 1.00 H new ATOM 156 N ALA A 10 -12.010 -15.192 -3.551 1.00 1.00 N ATOM 157 CA ALA A 10 -11.204 -15.797 -4.598 1.00 1.00 C ATOM 158 C ALA A 10 -9.943 -16.402 -3.980 1.00 1.00 C ATOM 159 O ALA A 10 -9.413 -17.369 -4.548 1.00 1.00 O ATOM 160 CB ALA A 10 -10.729 -14.715 -5.571 1.00 1.00 C ATOM 0 H ALA A 10 -12.231 -14.209 -3.708 1.00 1.00 H new ATOM 0 HA ALA A 10 -11.806 -16.551 -5.105 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -10.125 -15.171 -6.355 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -11.593 -14.223 -6.018 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -10.131 -13.979 -5.033 1.00 1.00 H new ATOM 166 N LEU A 11 -9.493 -15.831 -2.848 1.00 1.00 N ATOM 167 CA LEU A 11 -8.306 -16.312 -2.162 1.00 1.00 C ATOM 168 C LEU A 11 -8.678 -17.508 -1.284 1.00 1.00 C ATOM 169 O LEU A 11 -8.032 -18.558 -1.413 1.00 1.00 O ATOM 170 CB LEU A 11 -7.632 -15.172 -1.395 1.00 1.00 C ATOM 171 CG LEU A 11 -6.217 -15.452 -0.884 1.00 1.00 C ATOM 172 CD1 LEU A 11 -5.486 -14.149 -0.554 1.00 1.00 C ATOM 173 CD2 LEU A 11 -6.245 -16.411 0.308 1.00 1.00 C ATOM 0 H LEU A 11 -9.943 -15.034 -2.397 1.00 1.00 H new ATOM 0 HA LEU A 11 -7.566 -16.663 -2.882 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -7.596 -14.296 -2.043 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -8.260 -14.913 -0.543 1.00 1.00 H new ATOM 0 HG LEU A 11 -5.657 -15.943 -1.680 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -4.483 -14.376 -0.193 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -5.418 -13.533 -1.450 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -6.035 -13.609 0.217 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -5.227 -16.594 0.652 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -6.828 -15.970 1.117 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -6.700 -17.354 0.006 1.00 1.00 H new ATOM 185 N ILE A 12 -9.695 -17.329 -0.422 1.00 1.00 N ATOM 186 CA ILE A 12 -10.146 -18.386 0.467 1.00 1.00 C ATOM 187 C ILE A 12 -10.334 -19.676 -0.335 1.00 1.00 C ATOM 188 O ILE A 12 -9.854 -20.726 0.116 1.00 1.00 O ATOM 189 CB ILE A 12 -11.399 -17.948 1.228 1.00 1.00 C ATOM 190 CG1 ILE A 12 -11.150 -16.643 1.987 1.00 1.00 C ATOM 191 CG2 ILE A 12 -11.898 -19.062 2.150 1.00 1.00 C ATOM 192 CD1 ILE A 12 -9.740 -16.614 2.580 1.00 1.00 C ATOM 0 H ILE A 12 -10.214 -16.456 -0.331 1.00 1.00 H new ATOM 0 HA ILE A 12 -9.393 -18.590 1.228 1.00 1.00 H new ATOM 0 HB ILE A 12 -12.189 -17.753 0.503 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -11.283 -15.796 1.314 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -11.886 -16.536 2.784 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -12.789 -18.725 2.679 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -12.140 -19.944 1.557 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -11.121 -19.312 2.872 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -9.589 -15.676 3.114 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -9.619 -17.448 3.271 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -9.006 -16.697 1.778 1.00 1.00 H new ATOM 204 N THR A 13 -11.016 -19.573 -1.490 1.00 1.00 N ATOM 205 CA THR A 13 -11.263 -20.723 -2.343 1.00 1.00 C ATOM 206 C THR A 13 -9.989 -21.565 -2.438 1.00 1.00 C ATOM 207 O THR A 13 -10.099 -22.798 -2.492 1.00 1.00 O ATOM 208 CB THR A 13 -11.764 -20.226 -3.700 1.00 1.00 C ATOM 209 OG1 THR A 13 -10.810 -19.239 -4.083 1.00 1.00 O ATOM 210 CG2 THR A 13 -13.078 -19.449 -3.590 1.00 1.00 C ATOM 0 H THR A 13 -11.402 -18.698 -1.845 1.00 1.00 H new ATOM 0 HA THR A 13 -12.035 -21.371 -1.929 1.00 1.00 H new ATOM 0 HB THR A 13 -11.898 -21.075 -4.370 1.00 1.00 H new ATOM 0 HG1 THR A 13 -10.744 -19.209 -5.060 1.00 1.00 H new ATOM 0 HG21 THR A 13 -13.390 -19.119 -4.581 1.00 1.00 H new ATOM 0 HG22 THR A 13 -13.847 -20.093 -3.164 1.00 1.00 H new ATOM 0 HG23 THR A 13 -12.935 -18.581 -2.947 1.00 1.00 H new ATOM 218 N MET A 14 -8.823 -20.893 -2.455 1.00 1.00 N ATOM 219 CA MET A 14 -7.543 -21.575 -2.543 1.00 1.00 C ATOM 220 C MET A 14 -7.131 -22.058 -1.151 1.00 1.00 C ATOM 221 O MET A 14 -6.534 -23.140 -1.054 1.00 1.00 O ATOM 222 CB MET A 14 -6.473 -20.630 -3.093 1.00 1.00 C ATOM 223 CG MET A 14 -6.130 -20.976 -4.543 1.00 1.00 C ATOM 224 SD MET A 14 -4.585 -21.930 -4.607 1.00 1.00 S ATOM 225 CE MET A 14 -3.415 -20.675 -4.009 1.00 1.00 C ATOM 0 H MET A 14 -8.754 -19.876 -2.408 1.00 1.00 H new ATOM 0 HA MET A 14 -7.640 -22.426 -3.217 1.00 1.00 H new ATOM 0 HB2 MET A 14 -6.827 -19.601 -3.035 1.00 1.00 H new ATOM 0 HB3 MET A 14 -5.575 -20.694 -2.478 1.00 1.00 H new ATOM 0 HG2 MET A 14 -6.941 -21.551 -4.990 1.00 1.00 H new ATOM 0 HG3 MET A 14 -6.027 -20.063 -5.129 1.00 1.00 H new ATOM 0 HE1 MET A 14 -2.489 -21.159 -3.699 1.00 1.00 H new ATOM 0 HE2 MET A 14 -3.203 -19.965 -4.808 1.00 1.00 H new ATOM 0 HE3 MET A 14 -3.850 -20.147 -3.160 1.00 1.00 H new ATOM 235 N ALA A 15 -7.453 -21.260 -0.117 1.00 1.00 N ATOM 236 CA ALA A 15 -7.118 -21.604 1.255 1.00 1.00 C ATOM 237 C ALA A 15 -7.867 -22.877 1.654 1.00 1.00 C ATOM 238 O ALA A 15 -7.247 -23.758 2.267 1.00 1.00 O ATOM 239 CB ALA A 15 -7.611 -20.503 2.196 1.00 1.00 C ATOM 0 H ALA A 15 -7.946 -20.373 -0.218 1.00 1.00 H new ATOM 0 HA ALA A 15 -6.038 -21.733 1.325 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -7.359 -20.763 3.224 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -7.134 -19.559 1.933 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -8.692 -20.401 2.102 1.00 1.00 H new ATOM 245 N ILE A 16 -9.164 -22.947 1.304 1.00 1.00 N ATOM 246 CA ILE A 16 -9.986 -24.102 1.623 1.00 1.00 C ATOM 247 C ILE A 16 -9.373 -25.351 0.987 1.00 1.00 C ATOM 248 O ILE A 16 -9.277 -26.377 1.676 1.00 1.00 O ATOM 249 CB ILE A 16 -11.440 -23.854 1.215 1.00 1.00 C ATOM 250 CG1 ILE A 16 -12.321 -25.055 1.567 1.00 1.00 C ATOM 251 CG2 ILE A 16 -11.538 -23.485 -0.266 1.00 1.00 C ATOM 252 CD1 ILE A 16 -12.197 -25.409 3.051 1.00 1.00 C ATOM 0 H ILE A 16 -9.656 -22.209 0.799 1.00 1.00 H new ATOM 0 HA ILE A 16 -10.005 -24.270 2.700 1.00 1.00 H new ATOM 0 HB ILE A 16 -11.814 -23.003 1.784 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -13.361 -24.830 1.329 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -12.033 -25.913 0.959 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -12.582 -23.314 -0.530 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -10.963 -22.578 -0.454 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -11.139 -24.299 -0.871 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -12.833 -26.266 3.275 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -11.161 -25.656 3.281 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -12.509 -24.557 3.656 1.00 1.00 H new ATOM 264 N LEU A 17 -8.978 -25.242 -0.294 1.00 1.00 N ATOM 265 CA LEU A 17 -8.381 -26.354 -1.013 1.00 1.00 C ATOM 266 C LEU A 17 -7.277 -26.976 -0.156 1.00 1.00 C ATOM 267 O LEU A 17 -7.096 -28.201 -0.226 1.00 1.00 O ATOM 268 CB LEU A 17 -7.906 -25.904 -2.397 1.00 1.00 C ATOM 269 CG LEU A 17 -8.806 -26.288 -3.573 1.00 1.00 C ATOM 270 CD1 LEU A 17 -9.730 -25.130 -3.956 1.00 1.00 C ATOM 271 CD2 LEU A 17 -7.977 -26.777 -4.761 1.00 1.00 C ATOM 0 H LEU A 17 -9.067 -24.387 -0.844 1.00 1.00 H new ATOM 0 HA LEU A 17 -9.122 -27.133 -1.193 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -7.798 -24.819 -2.387 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -6.915 -26.322 -2.572 1.00 1.00 H new ATOM 0 HG LEU A 17 -9.441 -27.117 -3.261 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.359 -25.429 -4.794 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -10.359 -24.870 -3.105 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -9.131 -24.266 -4.242 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -8.641 -27.043 -5.583 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -7.300 -25.985 -5.083 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -7.397 -27.651 -4.465 1.00 1.00 H new ATOM 283 N GLN A 18 -6.573 -26.135 0.622 1.00 1.00 N ATOM 284 CA GLN A 18 -5.498 -26.600 1.483 1.00 1.00 C ATOM 285 C GLN A 18 -5.971 -27.828 2.264 1.00 1.00 C ATOM 286 O GLN A 18 -5.141 -28.707 2.540 1.00 1.00 O ATOM 287 CB GLN A 18 -5.021 -25.498 2.431 1.00 1.00 C ATOM 288 CG GLN A 18 -4.236 -24.425 1.673 1.00 1.00 C ATOM 289 CD GLN A 18 -2.929 -24.992 1.115 1.00 1.00 C ATOM 290 OE1 GLN A 18 -2.808 -25.303 -0.059 1.00 1.00 O ATOM 291 NE2 GLN A 18 -1.961 -25.109 2.019 1.00 1.00 N ATOM 0 H GLN A 18 -6.738 -25.129 0.664 1.00 1.00 H new ATOM 0 HA GLN A 18 -4.646 -26.875 0.861 1.00 1.00 H new ATOM 0 HB2 GLN A 18 -5.879 -25.044 2.927 1.00 1.00 H new ATOM 0 HB3 GLN A 18 -4.394 -25.930 3.211 1.00 1.00 H new ATOM 0 HG2 GLN A 18 -4.844 -24.033 0.858 1.00 1.00 H new ATOM 0 HG3 GLN A 18 -4.019 -23.590 2.339 1.00 1.00 H new ATOM 0 HE21 GLN A 18 -2.129 -24.830 2.986 1.00 1.00 H new ATOM 0 HE22 GLN A 18 -1.050 -25.478 1.746 1.00 1.00 H new ATOM 300 N SER A 19 -7.273 -27.864 2.599 1.00 1.00 N ATOM 301 CA SER A 19 -7.847 -28.974 3.340 1.00 1.00 C ATOM 302 C SER A 19 -8.852 -29.710 2.451 1.00 1.00 C ATOM 303 O SER A 19 -10.045 -29.379 2.511 1.00 1.00 O ATOM 304 CB SER A 19 -8.526 -28.497 4.626 1.00 1.00 C ATOM 305 OG SER A 19 -9.630 -27.637 4.359 1.00 1.00 O ATOM 0 H SER A 19 -7.940 -27.129 2.362 1.00 1.00 H new ATOM 0 HA SER A 19 -7.043 -29.652 3.626 1.00 1.00 H new ATOM 0 HB2 SER A 19 -8.869 -29.360 5.197 1.00 1.00 H new ATOM 0 HB3 SER A 19 -7.799 -27.972 5.247 1.00 1.00 H new ATOM 0 HG SER A 19 -10.228 -28.064 3.711 1.00 1.00 H new ATOM 311 N PRO A 20 -8.358 -30.677 1.658 1.00 1.00 N ATOM 312 CA PRO A 20 -9.176 -31.470 0.756 1.00 1.00 C ATOM 313 C PRO A 20 -9.992 -32.510 1.526 1.00 1.00 C ATOM 314 O PRO A 20 -10.445 -33.483 0.905 1.00 1.00 O ATOM 315 CB PRO A 20 -8.193 -32.092 -0.222 1.00 1.00 C ATOM 316 CG PRO A 20 -6.830 -32.002 0.443 1.00 1.00 C ATOM 317 CD PRO A 20 -6.945 -31.040 1.614 1.00 1.00 C ATOM 0 HA PRO A 20 -9.919 -30.873 0.228 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -8.456 -33.128 -0.434 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -8.199 -31.560 -1.173 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -6.507 -32.985 0.787 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -6.081 -31.651 -0.267 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -6.628 -31.510 2.545 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -6.315 -30.162 1.469 1.00 1.00 H new ATOM 325 N GLN A 21 -10.161 -32.289 2.842 1.00 1.00 N ATOM 326 CA GLN A 21 -10.915 -33.201 3.686 1.00 1.00 C ATOM 327 C GLN A 21 -11.965 -32.412 4.471 1.00 1.00 C ATOM 328 O GLN A 21 -13.101 -32.300 3.988 1.00 1.00 O ATOM 329 CB GLN A 21 -9.998 -33.982 4.629 1.00 1.00 C ATOM 330 CG GLN A 21 -9.856 -35.437 4.176 1.00 1.00 C ATOM 331 CD GLN A 21 -10.909 -36.324 4.843 1.00 1.00 C ATOM 332 OE1 GLN A 21 -11.700 -35.884 5.662 1.00 1.00 O ATOM 333 NE2 GLN A 21 -10.875 -37.593 4.450 1.00 1.00 N ATOM 0 H GLN A 21 -9.780 -31.481 3.335 1.00 1.00 H new ATOM 0 HA GLN A 21 -11.415 -33.933 3.051 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -9.016 -33.510 4.661 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -10.400 -33.950 5.642 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -9.959 -35.496 3.092 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -8.859 -35.802 4.422 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -10.187 -37.895 3.760 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -11.537 -38.265 4.838 1.00 1.00 H new ATOM 342 N LYS A 22 -11.571 -31.889 5.646 1.00 1.00 N ATOM 343 CA LYS A 22 -12.472 -31.119 6.487 1.00 1.00 C ATOM 344 C LYS A 22 -11.719 -30.640 7.729 1.00 1.00 C ATOM 345 O LYS A 22 -12.298 -30.685 8.824 1.00 1.00 O ATOM 346 CB LYS A 22 -13.731 -31.929 6.805 1.00 1.00 C ATOM 347 CG LYS A 22 -14.793 -31.052 7.470 1.00 1.00 C ATOM 348 CD LYS A 22 -15.630 -31.861 8.463 1.00 1.00 C ATOM 349 CE LYS A 22 -16.993 -32.221 7.867 1.00 1.00 C ATOM 350 NZ LYS A 22 -17.070 -33.664 7.590 1.00 1.00 N ATOM 0 H LYS A 22 -10.630 -31.992 6.025 1.00 1.00 H new ATOM 0 HA LYS A 22 -12.818 -30.229 5.961 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -14.132 -32.360 5.888 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -13.477 -32.760 7.463 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -14.312 -30.221 7.987 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -15.443 -30.621 6.708 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -15.097 -32.772 8.736 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -15.770 -31.287 9.379 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -17.786 -31.935 8.558 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -17.154 -31.659 6.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -18.001 -33.891 7.186 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -16.326 -33.928 6.913 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -16.938 -34.195 8.475 1.00 1.00 H new ATOM 364 N LYS A 23 -10.463 -30.197 7.538 1.00 1.00 N ATOM 365 CA LYS A 23 -9.642 -29.715 8.636 1.00 1.00 C ATOM 366 C LYS A 23 -8.847 -28.492 8.173 1.00 1.00 C ATOM 367 O LYS A 23 -7.851 -28.673 7.457 1.00 1.00 O ATOM 368 CB LYS A 23 -8.769 -30.844 9.187 1.00 1.00 C ATOM 369 CG LYS A 23 -7.912 -30.353 10.356 1.00 1.00 C ATOM 370 CD LYS A 23 -8.140 -31.213 11.601 1.00 1.00 C ATOM 371 CE LYS A 23 -7.211 -32.429 11.604 1.00 1.00 C ATOM 372 NZ LYS A 23 -7.984 -33.668 11.794 1.00 1.00 N ATOM 0 H LYS A 23 -10.004 -30.168 6.627 1.00 1.00 H new ATOM 0 HA LYS A 23 -10.268 -29.393 9.468 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -9.400 -31.670 9.516 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -8.125 -31.230 8.396 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -6.859 -30.382 10.077 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -8.154 -29.314 10.578 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -7.967 -30.616 12.497 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -9.178 -31.544 11.634 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -6.662 -32.477 10.664 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -6.473 -32.328 12.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -7.338 -34.483 11.794 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -8.489 -33.626 12.702 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -8.671 -33.770 11.020 1.00 1.00 H new ATOM 386 N LEU A 24 -9.294 -27.292 8.584 1.00 1.00 N ATOM 387 CA LEU A 24 -8.629 -26.055 8.215 1.00 1.00 C ATOM 388 C LEU A 24 -7.873 -25.506 9.426 1.00 1.00 C ATOM 389 O LEU A 24 -8.461 -25.456 10.516 1.00 1.00 O ATOM 390 CB LEU A 24 -9.631 -25.066 7.616 1.00 1.00 C ATOM 391 CG LEU A 24 -9.677 -24.999 6.088 1.00 1.00 C ATOM 392 CD1 LEU A 24 -10.815 -24.094 5.612 1.00 1.00 C ATOM 393 CD2 LEU A 24 -8.325 -24.566 5.518 1.00 1.00 C ATOM 0 H LEU A 24 -10.117 -27.165 9.173 1.00 1.00 H new ATOM 0 HA LEU A 24 -7.891 -26.238 7.434 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -10.626 -25.323 7.979 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -9.401 -24.071 7.997 1.00 1.00 H new ATOM 0 HG LEU A 24 -9.882 -26.000 5.709 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -10.825 -24.064 4.522 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -11.766 -24.485 5.973 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -10.666 -23.087 6.001 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -8.385 -24.526 4.430 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -8.067 -23.580 5.903 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -7.559 -25.283 5.813 1.00 1.00 H new ATOM 405 N THR A 25 -6.604 -25.111 9.216 1.00 1.00 N ATOM 406 CA THR A 25 -5.779 -24.572 10.283 1.00 1.00 C ATOM 407 C THR A 25 -5.339 -23.153 9.914 1.00 1.00 C ATOM 408 O THR A 25 -4.319 -23.013 9.223 1.00 1.00 O ATOM 409 CB THR A 25 -4.608 -25.527 10.526 1.00 1.00 C ATOM 410 OG1 THR A 25 -3.958 -25.608 9.260 1.00 1.00 O ATOM 411 CG2 THR A 25 -5.069 -26.960 10.800 1.00 1.00 C ATOM 0 H THR A 25 -6.138 -25.160 8.310 1.00 1.00 H new ATOM 0 HA THR A 25 -6.334 -24.494 11.218 1.00 1.00 H new ATOM 0 HB THR A 25 -4.016 -25.169 11.368 1.00 1.00 H new ATOM 0 HG1 THR A 25 -3.922 -24.717 8.853 1.00 1.00 H new ATOM 0 HG21 THR A 25 -4.200 -27.596 10.966 1.00 1.00 H new ATOM 0 HG22 THR A 25 -5.704 -26.975 11.686 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.632 -27.331 9.944 1.00 1.00 H new ATOM 419 N LEU A 26 -6.104 -22.147 10.374 1.00 1.00 N ATOM 420 CA LEU A 26 -5.795 -20.755 10.095 1.00 1.00 C ATOM 421 C LEU A 26 -4.290 -20.528 10.259 1.00 1.00 C ATOM 422 O LEU A 26 -3.731 -19.715 9.508 1.00 1.00 O ATOM 423 CB LEU A 26 -6.654 -19.831 10.960 1.00 1.00 C ATOM 424 CG LEU A 26 -6.630 -18.348 10.587 1.00 1.00 C ATOM 425 CD1 LEU A 26 -5.463 -17.629 11.268 1.00 1.00 C ATOM 426 CD2 LEU A 26 -6.607 -18.165 9.068 1.00 1.00 C ATOM 0 H LEU A 26 -6.941 -22.285 10.941 1.00 1.00 H new ATOM 0 HA LEU A 26 -6.044 -20.509 9.063 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -7.686 -20.180 10.915 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -6.329 -19.930 11.996 1.00 1.00 H new ATOM 0 HG LEU A 26 -7.548 -17.889 10.953 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -5.470 -16.576 10.986 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -5.564 -17.715 12.350 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -4.523 -18.083 10.954 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -6.590 -17.101 8.830 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -5.718 -18.643 8.657 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.497 -18.620 8.633 1.00 1.00 H new ATOM 438 N SER A 27 -3.675 -21.239 11.220 1.00 1.00 N ATOM 439 CA SER A 27 -2.250 -21.116 11.477 1.00 1.00 C ATOM 440 C SER A 27 -1.475 -21.475 10.208 1.00 1.00 C ATOM 441 O SER A 27 -0.556 -20.725 9.847 1.00 1.00 O ATOM 442 CB SER A 27 -1.811 -22.010 12.638 1.00 1.00 C ATOM 443 OG SER A 27 -1.813 -23.389 12.281 1.00 1.00 O ATOM 0 H SER A 27 -4.154 -21.904 11.827 1.00 1.00 H new ATOM 0 HA SER A 27 -2.037 -20.085 11.759 1.00 1.00 H new ATOM 0 HB2 SER A 27 -0.811 -21.721 12.960 1.00 1.00 H new ATOM 0 HB3 SER A 27 -2.477 -21.854 13.487 1.00 1.00 H new ATOM 0 HG SER A 27 -1.377 -23.910 12.987 1.00 1.00 H new ATOM 449 N GLY A 28 -1.853 -22.596 9.568 1.00 1.00 N ATOM 450 CA GLY A 28 -1.198 -23.047 8.352 1.00 1.00 C ATOM 451 C GLY A 28 -1.619 -22.148 7.188 1.00 1.00 C ATOM 452 O GLY A 28 -0.762 -21.827 6.351 1.00 1.00 O ATOM 0 H GLY A 28 -2.612 -23.200 9.883 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -0.115 -23.018 8.476 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -1.467 -24.082 8.143 1.00 1.00 H new ATOM 456 N ILE A 29 -2.908 -21.767 7.157 1.00 1.00 N ATOM 457 CA ILE A 29 -3.435 -20.914 6.105 1.00 1.00 C ATOM 458 C ILE A 29 -2.618 -19.622 6.045 1.00 1.00 C ATOM 459 O ILE A 29 -2.268 -19.196 4.934 1.00 1.00 O ATOM 460 CB ILE A 29 -4.935 -20.685 6.300 1.00 1.00 C ATOM 461 CG1 ILE A 29 -5.745 -21.861 5.752 1.00 1.00 C ATOM 462 CG2 ILE A 29 -5.371 -19.353 5.687 1.00 1.00 C ATOM 463 CD1 ILE A 29 -5.574 -23.102 6.631 1.00 1.00 C ATOM 0 H ILE A 29 -3.597 -22.043 7.856 1.00 1.00 H new ATOM 0 HA ILE A 29 -3.335 -21.401 5.135 1.00 1.00 H new ATOM 0 HB ILE A 29 -5.135 -20.627 7.370 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -6.799 -21.589 5.702 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -5.425 -22.085 4.734 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -6.441 -19.215 5.840 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -4.828 -18.537 6.165 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -5.154 -19.356 4.619 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -6.160 -23.923 6.219 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -4.522 -23.386 6.659 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -5.918 -22.882 7.642 1.00 1.00 H new ATOM 475 N CYS A 30 -2.335 -19.034 7.221 1.00 1.00 N ATOM 476 CA CYS A 30 -1.566 -17.803 7.301 1.00 1.00 C ATOM 477 C CYS A 30 -0.196 -18.020 6.657 1.00 1.00 C ATOM 478 O CYS A 30 0.247 -17.142 5.902 1.00 1.00 O ATOM 479 CB CYS A 30 -1.447 -17.320 8.748 1.00 1.00 C ATOM 480 SG CYS A 30 -1.523 -15.517 8.958 1.00 1.00 S ATOM 0 H CYS A 30 -2.633 -19.401 8.125 1.00 1.00 H new ATOM 0 HA CYS A 30 -2.085 -17.017 6.753 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.246 -17.774 9.335 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -0.504 -17.680 9.160 1.00 1.00 H new ATOM 0 HG CYS A 30 -0.647 -15.146 9.844 1.00 1.00 H new ATOM 486 N GLU A 31 0.439 -19.166 6.963 1.00 1.00 N ATOM 487 CA GLU A 31 1.746 -19.491 6.417 1.00 1.00 C ATOM 488 C GLU A 31 1.627 -19.693 4.906 1.00 1.00 C ATOM 489 O GLU A 31 2.596 -19.395 4.193 1.00 1.00 O ATOM 490 CB GLU A 31 2.344 -20.728 7.091 1.00 1.00 C ATOM 491 CG GLU A 31 3.723 -21.053 6.514 1.00 1.00 C ATOM 492 CD GLU A 31 4.822 -20.290 7.256 1.00 1.00 C ATOM 493 OE1 GLU A 31 4.872 -20.503 8.527 1.00 1.00 O ATOM 494 OE2 GLU A 31 5.580 -19.533 6.632 1.00 1.00 O ATOM 0 H GLU A 31 0.058 -19.876 7.588 1.00 1.00 H new ATOM 0 HA GLU A 31 2.425 -18.662 6.616 1.00 1.00 H new ATOM 0 HB2 GLU A 31 2.426 -20.558 8.165 1.00 1.00 H new ATOM 0 HB3 GLU A 31 1.678 -21.580 6.953 1.00 1.00 H new ATOM 0 HG2 GLU A 31 3.908 -22.125 6.586 1.00 1.00 H new ATOM 0 HG3 GLU A 31 3.748 -20.795 5.455 1.00 1.00 H new ATOM 501 N PHE A 32 0.461 -20.188 4.454 1.00 1.00 N ATOM 502 CA PHE A 32 0.221 -20.427 3.041 1.00 1.00 C ATOM 503 C PHE A 32 0.095 -19.085 2.316 1.00 1.00 C ATOM 504 O PHE A 32 0.766 -18.904 1.290 1.00 1.00 O ATOM 505 CB PHE A 32 -1.066 -21.259 2.878 1.00 1.00 C ATOM 506 CG PHE A 32 -1.998 -20.778 1.775 1.00 1.00 C ATOM 507 CD1 PHE A 32 -1.670 -20.995 0.416 1.00 1.00 C ATOM 508 CD2 PHE A 32 -3.197 -20.103 2.104 1.00 1.00 C ATOM 509 CE1 PHE A 32 -2.535 -20.543 -0.604 1.00 1.00 C ATOM 510 CE2 PHE A 32 -4.061 -19.652 1.084 1.00 1.00 C ATOM 511 CZ PHE A 32 -3.730 -19.872 -0.270 1.00 1.00 C ATOM 0 H PHE A 32 -0.325 -20.427 5.058 1.00 1.00 H new ATOM 0 HA PHE A 32 1.053 -20.981 2.606 1.00 1.00 H new ATOM 0 HB2 PHE A 32 -0.790 -22.294 2.676 1.00 1.00 H new ATOM 0 HB3 PHE A 32 -1.609 -21.252 3.823 1.00 1.00 H new ATOM 0 HD1 PHE A 32 -0.755 -21.508 0.158 1.00 1.00 H new ATOM 0 HD2 PHE A 32 -3.452 -19.932 3.140 1.00 1.00 H new ATOM 0 HE1 PHE A 32 -2.282 -20.711 -1.640 1.00 1.00 H new ATOM 0 HE2 PHE A 32 -4.976 -19.138 1.339 1.00 1.00 H new ATOM 0 HZ PHE A 32 -4.392 -19.527 -1.051 1.00 1.00 H new ATOM 521 N ILE A 33 -0.748 -18.186 2.855 1.00 1.00 N ATOM 522 CA ILE A 33 -0.958 -16.876 2.263 1.00 1.00 C ATOM 523 C ILE A 33 0.349 -16.083 2.316 1.00 1.00 C ATOM 524 O ILE A 33 0.785 -15.593 1.264 1.00 1.00 O ATOM 525 CB ILE A 33 -2.135 -16.167 2.935 1.00 1.00 C ATOM 526 CG1 ILE A 33 -3.455 -16.523 2.247 1.00 1.00 C ATOM 527 CG2 ILE A 33 -1.906 -14.655 2.989 1.00 1.00 C ATOM 528 CD1 ILE A 33 -4.575 -16.710 3.273 1.00 1.00 C ATOM 0 H ILE A 33 -1.291 -18.355 3.702 1.00 1.00 H new ATOM 0 HA ILE A 33 -1.232 -16.972 1.212 1.00 1.00 H new ATOM 0 HB ILE A 33 -2.203 -16.519 3.964 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -3.728 -15.735 1.545 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -3.332 -17.438 1.667 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -2.757 -14.175 3.471 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -1.000 -14.444 3.558 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -1.797 -14.267 1.976 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -5.502 -16.962 2.758 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -4.310 -17.515 3.958 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -4.712 -15.786 3.835 1.00 1.00 H new ATOM 540 N SER A 34 0.939 -15.973 3.520 1.00 1.00 N ATOM 541 CA SER A 34 2.184 -15.246 3.704 1.00 1.00 C ATOM 542 C SER A 34 3.157 -15.616 2.583 1.00 1.00 C ATOM 543 O SER A 34 3.946 -14.750 2.177 1.00 1.00 O ATOM 544 CB SER A 34 2.809 -15.542 5.069 1.00 1.00 C ATOM 545 OG SER A 34 1.939 -15.191 6.142 1.00 1.00 O ATOM 0 H SER A 34 0.563 -16.383 4.375 1.00 1.00 H new ATOM 0 HA SER A 34 1.970 -14.178 3.667 1.00 1.00 H new ATOM 0 HB2 SER A 34 3.054 -16.602 5.133 1.00 1.00 H new ATOM 0 HB3 SER A 34 3.745 -14.992 5.166 1.00 1.00 H new ATOM 0 HG SER A 34 1.194 -15.826 6.180 1.00 1.00 H new ATOM 551 N ASN A 35 3.083 -16.874 2.112 1.00 1.00 N ATOM 552 CA ASN A 35 3.951 -17.351 1.049 1.00 1.00 C ATOM 553 C ASN A 35 3.416 -16.861 -0.298 1.00 1.00 C ATOM 554 O ASN A 35 4.231 -16.514 -1.165 1.00 1.00 O ATOM 555 CB ASN A 35 3.990 -18.880 1.014 1.00 1.00 C ATOM 556 CG ASN A 35 4.991 -19.426 2.034 1.00 1.00 C ATOM 557 OD1 ASN A 35 5.361 -18.769 2.993 1.00 1.00 O ATOM 558 ND2 ASN A 35 5.407 -20.662 1.775 1.00 1.00 N ATOM 0 H ASN A 35 2.425 -17.572 2.460 1.00 1.00 H new ATOM 0 HA ASN A 35 4.955 -16.969 1.236 1.00 1.00 H new ATOM 0 HB2 ASN A 35 2.997 -19.278 1.225 1.00 1.00 H new ATOM 0 HB3 ASN A 35 4.263 -19.218 0.014 1.00 1.00 H new ATOM 0 HD21 ASN A 35 6.076 -21.116 2.397 1.00 1.00 H new ATOM 0 HD22 ASN A 35 5.057 -21.156 0.954 1.00 1.00 H new ATOM 565 N ARG A 36 2.079 -16.841 -0.444 1.00 1.00 N ATOM 566 CA ARG A 36 1.445 -16.398 -1.674 1.00 1.00 C ATOM 567 C ARG A 36 1.534 -14.873 -1.767 1.00 1.00 C ATOM 568 O ARG A 36 1.846 -14.366 -2.854 1.00 1.00 O ATOM 569 CB ARG A 36 -0.024 -16.821 -1.736 1.00 1.00 C ATOM 570 CG ARG A 36 -0.170 -18.203 -2.376 1.00 1.00 C ATOM 571 CD ARG A 36 0.531 -19.273 -1.536 1.00 1.00 C ATOM 572 NE ARG A 36 0.794 -20.473 -2.362 1.00 1.00 N ATOM 573 CZ ARG A 36 1.450 -21.567 -1.919 1.00 1.00 C ATOM 574 NH1 ARG A 36 1.899 -21.589 -0.657 1.00 1.00 N ATOM 575 NH2 ARG A 36 1.648 -22.615 -2.731 1.00 1.00 N ATOM 0 H ARG A 36 1.425 -17.130 0.284 1.00 1.00 H new ATOM 0 HA ARG A 36 1.967 -16.864 -2.510 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -0.445 -16.836 -0.731 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -0.593 -16.089 -2.309 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -1.227 -18.450 -2.479 1.00 1.00 H new ATOM 0 HG3 ARG A 36 0.253 -18.189 -3.380 1.00 1.00 H new ATOM 0 HD2 ARG A 36 1.468 -18.881 -1.141 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -0.089 -19.539 -0.680 1.00 1.00 H new ATOM 0 HE ARG A 36 0.459 -20.473 -3.325 1.00 1.00 H new ATOM 0 HH11 ARG A 36 1.743 -20.787 -0.046 1.00 1.00 H new ATOM 0 HH12 ARG A 36 2.396 -22.408 -0.307 1.00 1.00 H new ATOM 0 HH21 ARG A 36 1.302 -22.589 -3.690 1.00 1.00 H new ATOM 0 HH22 ARG A 36 2.144 -23.438 -2.390 1.00 1.00 H new ATOM 589 N PHE A 37 1.261 -14.184 -0.644 1.00 1.00 N ATOM 590 CA PHE A 37 1.310 -12.733 -0.600 1.00 1.00 C ATOM 591 C PHE A 37 2.178 -12.292 0.580 1.00 1.00 C ATOM 592 O PHE A 37 1.617 -11.990 1.644 1.00 1.00 O ATOM 593 CB PHE A 37 -0.122 -12.181 -0.463 1.00 1.00 C ATOM 594 CG PHE A 37 -1.198 -13.037 -1.118 1.00 1.00 C ATOM 595 CD1 PHE A 37 -1.493 -14.324 -0.611 1.00 1.00 C ATOM 596 CD2 PHE A 37 -1.904 -12.550 -2.242 1.00 1.00 C ATOM 597 CE1 PHE A 37 -2.488 -15.116 -1.223 1.00 1.00 C ATOM 598 CE2 PHE A 37 -2.898 -13.343 -2.853 1.00 1.00 C ATOM 599 CZ PHE A 37 -3.191 -14.626 -2.344 1.00 1.00 C ATOM 0 H PHE A 37 1.005 -14.621 0.241 1.00 1.00 H new ATOM 0 HA PHE A 37 1.748 -12.343 -1.519 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -0.356 -12.074 0.596 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -0.155 -11.183 -0.899 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -0.956 -14.702 0.246 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -1.682 -11.568 -2.634 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -2.712 -16.098 -0.833 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -3.435 -12.968 -3.711 1.00 1.00 H new ATOM 0 HZ PHE A 37 -3.952 -15.232 -2.812 1.00 1.00 H new ATOM 609 N PRO A 38 3.506 -12.263 0.374 1.00 1.00 N ATOM 610 CA PRO A 38 4.468 -11.868 1.389 1.00 1.00 C ATOM 611 C PRO A 38 4.461 -10.351 1.590 1.00 1.00 C ATOM 612 O PRO A 38 4.698 -9.905 2.722 1.00 1.00 O ATOM 613 CB PRO A 38 5.804 -12.395 0.892 1.00 1.00 C ATOM 614 CG PRO A 38 5.622 -12.656 -0.594 1.00 1.00 C ATOM 615 CD PRO A 38 4.133 -12.626 -0.894 1.00 1.00 C ATOM 0 HA PRO A 38 4.234 -12.278 2.372 1.00 1.00 H new ATOM 0 HB2 PRO A 38 6.599 -11.670 1.067 1.00 1.00 H new ATOM 0 HB3 PRO A 38 6.084 -13.308 1.418 1.00 1.00 H new ATOM 0 HG2 PRO A 38 6.145 -11.901 -1.181 1.00 1.00 H new ATOM 0 HG3 PRO A 38 6.047 -13.622 -0.867 1.00 1.00 H new ATOM 0 HD2 PRO A 38 3.901 -11.900 -1.673 1.00 1.00 H new ATOM 0 HD3 PRO A 38 3.781 -13.595 -1.247 1.00 1.00 H new ATOM 623 N TYR A 39 4.193 -9.601 0.506 1.00 1.00 N ATOM 624 CA TYR A 39 4.176 -8.154 0.629 1.00 1.00 C ATOM 625 C TYR A 39 2.888 -7.722 1.334 1.00 1.00 C ATOM 626 O TYR A 39 2.907 -6.668 1.987 1.00 1.00 O ATOM 627 CB TYR A 39 4.316 -7.503 -0.759 1.00 1.00 C ATOM 628 CG TYR A 39 5.063 -6.176 -0.761 1.00 1.00 C ATOM 629 CD1 TYR A 39 4.598 -5.091 0.016 1.00 1.00 C ATOM 630 CD2 TYR A 39 6.227 -6.022 -1.549 1.00 1.00 C ATOM 631 CE1 TYR A 39 5.292 -3.863 0.008 1.00 1.00 C ATOM 632 CE2 TYR A 39 6.922 -4.794 -1.557 1.00 1.00 C ATOM 633 CZ TYR A 39 6.456 -3.713 -0.778 1.00 1.00 C ATOM 634 OH TYR A 39 7.132 -2.526 -0.788 1.00 1.00 O ATOM 0 H TYR A 39 3.994 -9.965 -0.426 1.00 1.00 H new ATOM 0 HA TYR A 39 5.022 -7.821 1.231 1.00 1.00 H new ATOM 0 HB2 TYR A 39 4.833 -8.197 -1.422 1.00 1.00 H new ATOM 0 HB3 TYR A 39 3.321 -7.346 -1.175 1.00 1.00 H new ATOM 0 HD1 TYR A 39 3.708 -5.202 0.618 1.00 1.00 H new ATOM 0 HD2 TYR A 39 6.585 -6.847 -2.147 1.00 1.00 H new ATOM 0 HE1 TYR A 39 4.933 -3.037 0.603 1.00 1.00 H new ATOM 0 HE2 TYR A 39 7.811 -4.681 -2.160 1.00 1.00 H new ATOM 0 HH TYR A 39 7.909 -2.597 -1.381 1.00 1.00 H new ATOM 644 N TYR A 40 1.815 -8.519 1.187 1.00 1.00 N ATOM 645 CA TYR A 40 0.562 -8.149 1.822 1.00 1.00 C ATOM 646 C TYR A 40 0.759 -8.101 3.339 1.00 1.00 C ATOM 647 O TYR A 40 0.444 -7.061 3.935 1.00 1.00 O ATOM 648 CB TYR A 40 -0.548 -9.137 1.419 1.00 1.00 C ATOM 649 CG TYR A 40 -1.821 -8.480 0.903 1.00 1.00 C ATOM 650 CD1 TYR A 40 -2.446 -7.460 1.657 1.00 1.00 C ATOM 651 CD2 TYR A 40 -2.383 -8.879 -0.331 1.00 1.00 C ATOM 652 CE1 TYR A 40 -3.624 -6.846 1.182 1.00 1.00 C ATOM 653 CE2 TYR A 40 -3.561 -8.265 -0.807 1.00 1.00 C ATOM 654 CZ TYR A 40 -4.183 -7.248 -0.050 1.00 1.00 C ATOM 655 OH TYR A 40 -5.325 -6.652 -0.506 1.00 1.00 O ATOM 0 H TYR A 40 1.798 -9.388 0.654 1.00 1.00 H new ATOM 0 HA TYR A 40 0.253 -7.159 1.487 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -0.161 -9.804 0.649 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -0.797 -9.755 2.281 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -2.020 -7.150 2.600 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -1.909 -9.657 -0.912 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.098 -6.068 1.762 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -3.987 -8.573 -1.750 1.00 1.00 H new ATOM 0 HH TYR A 40 -5.576 -7.044 -1.368 1.00 1.00 H new ATOM 665 N ARG A 41 1.256 -9.205 3.925 1.00 1.00 N ATOM 666 CA ARG A 41 1.478 -9.282 5.359 1.00 1.00 C ATOM 667 C ARG A 41 2.482 -8.204 5.774 1.00 1.00 C ATOM 668 O ARG A 41 2.360 -7.686 6.893 1.00 1.00 O ATOM 669 CB ARG A 41 2.014 -10.654 5.773 1.00 1.00 C ATOM 670 CG ARG A 41 2.256 -10.716 7.282 1.00 1.00 C ATOM 671 CD ARG A 41 3.753 -10.729 7.597 1.00 1.00 C ATOM 672 NE ARG A 41 4.002 -11.487 8.844 1.00 1.00 N ATOM 673 CZ ARG A 41 5.136 -11.398 9.570 1.00 1.00 C ATOM 674 NH1 ARG A 41 6.111 -10.579 9.155 1.00 1.00 N ATOM 675 NH2 ARG A 41 5.285 -12.119 10.690 1.00 1.00 N ATOM 0 H ARG A 41 1.508 -10.052 3.416 1.00 1.00 H new ATOM 0 HA ARG A 41 0.521 -9.126 5.858 1.00 1.00 H new ATOM 0 HB2 ARG A 41 1.304 -11.428 5.483 1.00 1.00 H new ATOM 0 HB3 ARG A 41 2.944 -10.860 5.243 1.00 1.00 H new ATOM 0 HG2 ARG A 41 1.787 -9.859 7.765 1.00 1.00 H new ATOM 0 HG3 ARG A 41 1.786 -11.610 7.693 1.00 1.00 H new ATOM 0 HD2 ARG A 41 4.303 -11.181 6.771 1.00 1.00 H new ATOM 0 HD3 ARG A 41 4.119 -9.708 7.703 1.00 1.00 H new ATOM 0 HE ARG A 41 3.271 -12.116 9.175 1.00 1.00 H new ATOM 0 HH11 ARG A 41 5.990 -10.034 8.301 1.00 1.00 H new ATOM 0 HH12 ARG A 41 6.974 -10.500 9.693 1.00 1.00 H new ATOM 0 HH21 ARG A 41 4.538 -12.741 10.999 1.00 1.00 H new ATOM 0 HH22 ARG A 41 6.145 -12.046 11.233 1.00 1.00 H new ATOM 689 N GLU A 42 3.437 -7.894 4.879 1.00 1.00 N ATOM 690 CA GLU A 42 4.449 -6.888 5.152 1.00 1.00 C ATOM 691 C GLU A 42 3.875 -5.500 4.859 1.00 1.00 C ATOM 692 O GLU A 42 4.562 -4.507 5.135 1.00 1.00 O ATOM 693 CB GLU A 42 5.722 -7.137 4.340 1.00 1.00 C ATOM 694 CG GLU A 42 6.962 -7.090 5.235 1.00 1.00 C ATOM 695 CD GLU A 42 8.225 -6.838 4.410 1.00 1.00 C ATOM 696 OE1 GLU A 42 8.587 -7.819 3.654 1.00 1.00 O ATOM 697 OE2 GLU A 42 8.818 -5.753 4.501 1.00 1.00 O ATOM 0 H GLU A 42 3.519 -8.333 3.962 1.00 1.00 H new ATOM 0 HA GLU A 42 4.726 -6.948 6.204 1.00 1.00 H new ATOM 0 HB2 GLU A 42 5.660 -8.108 3.849 1.00 1.00 H new ATOM 0 HB3 GLU A 42 5.808 -6.387 3.554 1.00 1.00 H new ATOM 0 HG2 GLU A 42 6.847 -6.303 5.980 1.00 1.00 H new ATOM 0 HG3 GLU A 42 7.059 -8.031 5.777 1.00 1.00 H new ATOM 704 N LYS A 43 2.645 -5.460 4.314 1.00 1.00 N ATOM 705 CA LYS A 43 1.988 -4.206 3.988 1.00 1.00 C ATOM 706 C LYS A 43 0.833 -3.972 4.964 1.00 1.00 C ATOM 707 O LYS A 43 0.729 -2.859 5.498 1.00 1.00 O ATOM 708 CB LYS A 43 1.565 -4.189 2.518 1.00 1.00 C ATOM 709 CG LYS A 43 1.013 -2.818 2.122 1.00 1.00 C ATOM 710 CD LYS A 43 0.102 -2.927 0.897 1.00 1.00 C ATOM 711 CE LYS A 43 -1.319 -3.322 1.304 1.00 1.00 C ATOM 712 NZ LYS A 43 -2.060 -2.149 1.795 1.00 1.00 N ATOM 0 H LYS A 43 2.095 -6.290 4.094 1.00 1.00 H new ATOM 0 HA LYS A 43 2.679 -3.371 4.106 1.00 1.00 H new ATOM 0 HB2 LYS A 43 2.419 -4.437 1.887 1.00 1.00 H new ATOM 0 HB3 LYS A 43 0.808 -4.954 2.345 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.457 -2.391 2.957 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.837 -2.138 1.907 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.081 -1.974 0.369 1.00 1.00 H new ATOM 0 HD3 LYS A 43 0.505 -3.666 0.205 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -1.840 -3.758 0.451 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -1.282 -4.087 2.080 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -2.816 -2.460 2.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -1.411 -1.517 2.305 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -2.477 -1.640 0.990 1.00 1.00 H new ATOM 726 N PHE A 44 0.001 -5.009 5.172 1.00 1.00 N ATOM 727 CA PHE A 44 -1.134 -4.916 6.074 1.00 1.00 C ATOM 728 C PHE A 44 -1.197 -6.177 6.938 1.00 1.00 C ATOM 729 O PHE A 44 -2.069 -7.022 6.685 1.00 1.00 O ATOM 730 CB PHE A 44 -2.426 -4.753 5.249 1.00 1.00 C ATOM 731 CG PHE A 44 -3.553 -4.028 5.972 1.00 1.00 C ATOM 732 CD1 PHE A 44 -3.262 -3.050 6.952 1.00 1.00 C ATOM 733 CD2 PHE A 44 -4.900 -4.334 5.670 1.00 1.00 C ATOM 734 CE1 PHE A 44 -4.309 -2.384 7.623 1.00 1.00 C ATOM 735 CE2 PHE A 44 -5.947 -3.667 6.341 1.00 1.00 C ATOM 736 CZ PHE A 44 -5.652 -2.691 7.317 1.00 1.00 C ATOM 0 H PHE A 44 0.104 -5.918 4.721 1.00 1.00 H new ATOM 0 HA PHE A 44 -1.026 -4.051 6.728 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -2.191 -4.210 4.334 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -2.779 -5.741 4.952 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -2.235 -2.813 7.187 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -5.128 -5.080 4.924 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -4.083 -1.639 8.371 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -6.975 -3.903 6.108 1.00 1.00 H new ATOM 0 HZ PHE A 44 -6.453 -2.180 7.829 1.00 1.00 H new ATOM 746 N PRO A 45 -0.289 -6.277 7.925 1.00 1.00 N ATOM 747 CA PRO A 45 -0.213 -7.409 8.833 1.00 1.00 C ATOM 748 C PRO A 45 -1.339 -7.357 9.868 1.00 1.00 C ATOM 749 O PRO A 45 -1.533 -8.354 10.579 1.00 1.00 O ATOM 750 CB PRO A 45 1.170 -7.321 9.457 1.00 1.00 C ATOM 751 CG PRO A 45 1.640 -5.893 9.228 1.00 1.00 C ATOM 752 CD PRO A 45 0.724 -5.261 8.194 1.00 1.00 C ATOM 0 HA PRO A 45 -0.347 -8.365 8.326 1.00 1.00 H new ATOM 0 HB2 PRO A 45 1.134 -7.555 10.521 1.00 1.00 H new ATOM 0 HB3 PRO A 45 1.852 -8.035 8.997 1.00 1.00 H new ATOM 0 HG2 PRO A 45 1.611 -5.328 10.160 1.00 1.00 H new ATOM 0 HG3 PRO A 45 2.673 -5.882 8.880 1.00 1.00 H new ATOM 0 HD2 PRO A 45 0.274 -4.343 8.572 1.00 1.00 H new ATOM 0 HD3 PRO A 45 1.271 -4.998 7.289 1.00 1.00 H new ATOM 760 N ALA A 46 -2.048 -6.215 9.931 1.00 1.00 N ATOM 761 CA ALA A 46 -3.143 -6.039 10.870 1.00 1.00 C ATOM 762 C ALA A 46 -4.406 -6.690 10.302 1.00 1.00 C ATOM 763 O ALA A 46 -5.393 -6.806 11.042 1.00 1.00 O ATOM 764 CB ALA A 46 -3.458 -4.549 11.019 1.00 1.00 C ATOM 0 H ALA A 46 -1.872 -5.405 9.336 1.00 1.00 H new ATOM 0 HA ALA A 46 -2.855 -6.482 11.824 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -4.279 -4.419 11.724 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -2.576 -4.026 11.389 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -3.743 -4.139 10.050 1.00 1.00 H new ATOM 770 N TRP A 47 -4.350 -7.095 9.020 1.00 1.00 N ATOM 771 CA TRP A 47 -5.481 -7.727 8.363 1.00 1.00 C ATOM 772 C TRP A 47 -5.442 -9.233 8.626 1.00 1.00 C ATOM 773 O TRP A 47 -6.099 -9.979 7.885 1.00 1.00 O ATOM 774 CB TRP A 47 -5.490 -7.381 6.872 1.00 1.00 C ATOM 775 CG TRP A 47 -4.573 -8.264 6.023 1.00 1.00 C ATOM 776 CD1 TRP A 47 -3.470 -8.920 6.410 1.00 1.00 C ATOM 777 CD2 TRP A 47 -4.726 -8.562 4.620 1.00 1.00 C ATOM 778 NE1 TRP A 47 -2.903 -9.616 5.362 1.00 1.00 N ATOM 779 CE2 TRP A 47 -3.691 -9.392 4.239 1.00 1.00 C ATOM 780 CE3 TRP A 47 -5.706 -8.145 3.702 1.00 1.00 C ATOM 781 CZ2 TRP A 47 -3.537 -9.876 2.934 1.00 1.00 C ATOM 782 CZ3 TRP A 47 -5.538 -8.637 2.402 1.00 1.00 C ATOM 783 CH2 TRP A 47 -4.502 -9.473 2.003 1.00 1.00 C ATOM 0 H TRP A 47 -3.526 -6.990 8.428 1.00 1.00 H new ATOM 0 HA TRP A 47 -6.417 -7.348 8.773 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -6.509 -7.466 6.496 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -5.191 -6.340 6.749 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -3.075 -8.906 7.415 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -2.060 -10.189 5.404 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -6.524 -7.496 3.978 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -2.718 -10.525 2.660 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -6.264 -8.347 1.657 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -4.441 -9.810 0.979 1.00 1.00 H new ATOM 794 N GLN A 48 -4.685 -9.644 9.659 1.00 1.00 N ATOM 795 CA GLN A 48 -4.564 -11.048 10.014 1.00 1.00 C ATOM 796 C GLN A 48 -5.941 -11.595 10.393 1.00 1.00 C ATOM 797 O GLN A 48 -6.313 -12.662 9.882 1.00 1.00 O ATOM 798 CB GLN A 48 -3.560 -11.256 11.151 1.00 1.00 C ATOM 799 CG GLN A 48 -3.516 -12.723 11.582 1.00 1.00 C ATOM 800 CD GLN A 48 -2.175 -13.362 11.217 1.00 1.00 C ATOM 801 OE1 GLN A 48 -1.546 -13.025 10.227 1.00 1.00 O ATOM 802 NE2 GLN A 48 -1.773 -14.301 12.068 1.00 1.00 N ATOM 0 H GLN A 48 -4.151 -9.013 10.257 1.00 1.00 H new ATOM 0 HA GLN A 48 -4.185 -11.595 9.151 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -2.569 -10.938 10.828 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.834 -10.631 12.001 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -3.676 -12.795 12.658 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -4.327 -13.271 11.102 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -2.347 -14.535 12.878 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -0.890 -14.787 11.911 1.00 1.00 H new ATOM 811 N ASN A 49 -6.660 -10.867 11.266 1.00 1.00 N ATOM 812 CA ASN A 49 -7.982 -11.276 11.706 1.00 1.00 C ATOM 813 C ASN A 49 -9.021 -10.821 10.679 1.00 1.00 C ATOM 814 O ASN A 49 -10.068 -11.475 10.570 1.00 1.00 O ATOM 815 CB ASN A 49 -8.337 -10.639 13.051 1.00 1.00 C ATOM 816 CG ASN A 49 -9.472 -11.402 13.738 1.00 1.00 C ATOM 817 OD1 ASN A 49 -10.644 -11.198 13.467 1.00 1.00 O ATOM 818 ND2 ASN A 49 -9.059 -12.290 14.638 1.00 1.00 N ATOM 0 H ASN A 49 -6.335 -9.991 11.675 1.00 1.00 H new ATOM 0 HA ASN A 49 -7.981 -12.361 11.810 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -7.458 -10.629 13.696 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -8.632 -9.601 12.899 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -9.739 -12.851 15.150 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -8.062 -12.410 14.816 1.00 1.00 H new ATOM 825 N SER A 50 -8.715 -9.728 9.957 1.00 1.00 N ATOM 826 CA SER A 50 -9.615 -9.194 8.950 1.00 1.00 C ATOM 827 C SER A 50 -9.966 -10.297 7.949 1.00 1.00 C ATOM 828 O SER A 50 -11.158 -10.466 7.651 1.00 1.00 O ATOM 829 CB SER A 50 -8.998 -7.997 8.224 1.00 1.00 C ATOM 830 OG SER A 50 -9.991 -7.118 7.703 1.00 1.00 O ATOM 0 H SER A 50 -7.846 -9.205 10.062 1.00 1.00 H new ATOM 0 HA SER A 50 -10.520 -8.845 9.447 1.00 1.00 H new ATOM 0 HB2 SER A 50 -8.354 -7.449 8.911 1.00 1.00 H new ATOM 0 HB3 SER A 50 -8.366 -8.353 7.410 1.00 1.00 H new ATOM 0 HG SER A 50 -9.557 -6.366 7.249 1.00 1.00 H new ATOM 836 N ILE A 51 -8.940 -11.015 7.459 1.00 1.00 N ATOM 837 CA ILE A 51 -9.139 -12.090 6.503 1.00 1.00 C ATOM 838 C ILE A 51 -9.934 -13.217 7.166 1.00 1.00 C ATOM 839 O ILE A 51 -10.730 -13.865 6.472 1.00 1.00 O ATOM 840 CB ILE A 51 -7.800 -12.544 5.919 1.00 1.00 C ATOM 841 CG1 ILE A 51 -8.009 -13.504 4.746 1.00 1.00 C ATOM 842 CG2 ILE A 51 -6.907 -13.151 7.004 1.00 1.00 C ATOM 843 CD1 ILE A 51 -6.849 -13.416 3.753 1.00 1.00 C ATOM 0 H ILE A 51 -7.966 -10.860 7.718 1.00 1.00 H new ATOM 0 HA ILE A 51 -9.728 -11.740 5.655 1.00 1.00 H new ATOM 0 HB ILE A 51 -7.283 -11.667 5.528 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -8.097 -14.525 5.118 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -8.945 -13.267 4.240 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -5.961 -13.466 6.563 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -6.717 -12.407 7.777 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -7.406 -14.013 7.446 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -7.022 -14.108 2.929 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -6.779 -12.400 3.365 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -5.918 -13.677 4.257 1.00 1.00 H new ATOM 855 N ARG A 52 -9.707 -13.424 8.476 1.00 1.00 N ATOM 856 CA ARG A 52 -10.397 -14.462 9.222 1.00 1.00 C ATOM 857 C ARG A 52 -11.906 -14.225 9.140 1.00 1.00 C ATOM 858 O ARG A 52 -12.638 -15.183 8.848 1.00 1.00 O ATOM 859 CB ARG A 52 -9.970 -14.478 10.692 1.00 1.00 C ATOM 860 CG ARG A 52 -8.953 -15.590 10.955 1.00 1.00 C ATOM 861 CD ARG A 52 -8.865 -15.910 12.448 1.00 1.00 C ATOM 862 NE ARG A 52 -7.468 -15.765 12.915 1.00 1.00 N ATOM 863 CZ ARG A 52 -6.922 -16.497 13.910 1.00 1.00 C ATOM 864 NH1 ARG A 52 -7.675 -17.418 14.527 1.00 1.00 N ATOM 865 NH2 ARG A 52 -5.647 -16.305 14.275 1.00 1.00 N ATOM 0 H ARG A 52 -9.047 -12.878 9.030 1.00 1.00 H new ATOM 0 HA ARG A 52 -10.136 -15.424 8.782 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -9.537 -13.514 10.959 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -10.844 -14.622 11.327 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -9.238 -16.486 10.404 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -7.973 -15.286 10.586 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -9.517 -15.241 13.011 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -9.215 -16.926 12.632 1.00 1.00 H new ATOM 0 HE ARG A 52 -6.881 -15.068 12.457 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -8.645 -17.557 14.243 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -7.278 -17.980 15.280 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -5.081 -15.602 13.800 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -5.243 -16.862 15.028 1.00 1.00 H new ATOM 879 N HIS A 53 -12.335 -12.976 9.395 1.00 1.00 N ATOM 880 CA HIS A 53 -13.744 -12.622 9.349 1.00 1.00 C ATOM 881 C HIS A 53 -14.332 -13.056 8.005 1.00 1.00 C ATOM 882 O HIS A 53 -15.394 -13.695 8.006 1.00 1.00 O ATOM 883 CB HIS A 53 -13.942 -11.130 9.629 1.00 1.00 C ATOM 884 CG HIS A 53 -15.079 -10.507 8.856 1.00 1.00 C ATOM 885 ND1 HIS A 53 -16.398 -10.580 9.271 1.00 1.00 N ATOM 886 CD2 HIS A 53 -15.082 -9.797 7.691 1.00 1.00 C ATOM 887 CE1 HIS A 53 -17.151 -9.942 8.388 1.00 1.00 C ATOM 888 NE2 HIS A 53 -16.333 -9.457 7.409 1.00 1.00 N ATOM 0 H HIS A 53 -11.716 -12.202 9.634 1.00 1.00 H new ATOM 0 HA HIS A 53 -14.283 -13.151 10.135 1.00 1.00 H new ATOM 0 HB2 HIS A 53 -14.122 -10.991 10.695 1.00 1.00 H new ATOM 0 HB3 HIS A 53 -13.020 -10.600 9.390 1.00 1.00 H new ATOM 0 HD2 HIS A 53 -14.213 -9.553 7.098 1.00 1.00 H new ATOM 0 HE1 HIS A 53 -18.224 -9.826 8.434 1.00 1.00 H new ATOM 0 HE2 HIS A 53 -16.634 -8.921 6.595 1.00 1.00 H new ATOM 896 N ASN A 54 -13.642 -12.707 6.905 1.00 1.00 N ATOM 897 CA ASN A 54 -14.092 -13.059 5.569 1.00 1.00 C ATOM 898 C ASN A 54 -13.885 -14.558 5.344 1.00 1.00 C ATOM 899 O ASN A 54 -14.657 -15.151 4.576 1.00 1.00 O ATOM 900 CB ASN A 54 -13.295 -12.306 4.503 1.00 1.00 C ATOM 901 CG ASN A 54 -13.644 -10.816 4.507 1.00 1.00 C ATOM 902 OD1 ASN A 54 -12.969 -9.995 5.105 1.00 1.00 O ATOM 903 ND2 ASN A 54 -14.735 -10.514 3.808 1.00 1.00 N ATOM 0 H ASN A 54 -12.769 -12.180 6.927 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.146 -12.792 5.487 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -12.228 -12.434 4.684 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -13.504 -12.729 3.521 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -15.052 -9.546 3.750 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -15.255 -11.250 3.330 1.00 1.00 H new ATOM 910 N LEU A 55 -12.865 -15.131 6.007 1.00 1.00 N ATOM 911 CA LEU A 55 -12.562 -16.546 5.880 1.00 1.00 C ATOM 912 C LEU A 55 -13.814 -17.363 6.209 1.00 1.00 C ATOM 913 O LEU A 55 -14.196 -18.213 5.392 1.00 1.00 O ATOM 914 CB LEU A 55 -11.346 -16.913 6.733 1.00 1.00 C ATOM 915 CG LEU A 55 -10.333 -17.859 6.085 1.00 1.00 C ATOM 916 CD1 LEU A 55 -9.319 -18.363 7.113 1.00 1.00 C ATOM 917 CD2 LEU A 55 -11.039 -19.009 5.364 1.00 1.00 C ATOM 0 H LEU A 55 -12.242 -14.624 6.635 1.00 1.00 H new ATOM 0 HA LEU A 55 -12.285 -16.785 4.853 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -10.830 -15.994 7.009 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -11.700 -17.369 7.657 1.00 1.00 H new ATOM 0 HG LEU A 55 -9.777 -17.301 5.332 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -8.610 -19.033 6.627 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -8.782 -17.516 7.540 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -9.841 -18.899 7.906 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -10.296 -19.666 4.912 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -11.637 -19.574 6.079 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -11.688 -18.607 4.586 1.00 1.00 H new ATOM 929 N SER A 56 -14.416 -17.094 7.381 1.00 1.00 N ATOM 930 CA SER A 56 -15.612 -17.799 7.812 1.00 1.00 C ATOM 931 C SER A 56 -16.821 -17.257 7.047 1.00 1.00 C ATOM 932 O SER A 56 -17.756 -18.032 6.797 1.00 1.00 O ATOM 933 CB SER A 56 -15.832 -17.660 9.319 1.00 1.00 C ATOM 934 OG SER A 56 -17.212 -17.521 9.647 1.00 1.00 O ATOM 0 H SER A 56 -14.084 -16.390 8.040 1.00 1.00 H new ATOM 0 HA SER A 56 -15.485 -18.860 7.597 1.00 1.00 H new ATOM 0 HB2 SER A 56 -15.425 -18.534 9.827 1.00 1.00 H new ATOM 0 HB3 SER A 56 -15.283 -16.793 9.687 1.00 1.00 H new ATOM 0 HG SER A 56 -17.310 -17.437 10.618 1.00 1.00 H new ATOM 940 N LEU A 57 -16.780 -15.960 6.695 1.00 1.00 N ATOM 941 CA LEU A 57 -17.864 -15.324 5.966 1.00 1.00 C ATOM 942 C LEU A 57 -17.679 -15.572 4.468 1.00 1.00 C ATOM 943 O LEU A 57 -18.371 -14.920 3.672 1.00 1.00 O ATOM 944 CB LEU A 57 -17.964 -13.843 6.337 1.00 1.00 C ATOM 945 CG LEU A 57 -18.817 -13.515 7.564 1.00 1.00 C ATOM 946 CD1 LEU A 57 -20.287 -13.859 7.317 1.00 1.00 C ATOM 947 CD2 LEU A 57 -18.269 -14.205 8.814 1.00 1.00 C ATOM 0 H LEU A 57 -16.000 -15.339 6.910 1.00 1.00 H new ATOM 0 HA LEU A 57 -18.821 -15.763 6.247 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -16.957 -13.463 6.507 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -18.369 -13.301 5.482 1.00 1.00 H new ATOM 0 HG LEU A 57 -18.763 -12.441 7.740 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -20.872 -13.616 8.204 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -20.658 -13.283 6.469 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -20.380 -14.923 7.101 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -18.894 -13.955 9.671 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -18.273 -15.285 8.665 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -17.249 -13.868 8.998 1.00 1.00 H new ATOM 959 N ASN A 58 -16.765 -16.495 4.118 1.00 1.00 N ATOM 960 CA ASN A 58 -16.494 -16.823 2.729 1.00 1.00 C ATOM 961 C ASN A 58 -17.284 -18.075 2.342 1.00 1.00 C ATOM 962 O ASN A 58 -18.321 -17.937 1.677 1.00 1.00 O ATOM 963 CB ASN A 58 -15.008 -17.115 2.511 1.00 1.00 C ATOM 964 CG ASN A 58 -14.762 -17.697 1.118 1.00 1.00 C ATOM 965 OD1 ASN A 58 -14.823 -17.011 0.111 1.00 1.00 O ATOM 966 ND2 ASN A 58 -14.482 -18.997 1.117 1.00 1.00 N ATOM 0 H ASN A 58 -16.206 -17.022 4.789 1.00 1.00 H new ATOM 0 HA ASN A 58 -16.787 -15.969 2.118 1.00 1.00 H new ATOM 0 HB2 ASN A 58 -14.432 -16.198 2.633 1.00 1.00 H new ATOM 0 HB3 ASN A 58 -14.656 -17.815 3.269 1.00 1.00 H new ATOM 0 HD21 ASN A 58 -14.302 -19.479 0.236 1.00 1.00 H new ATOM 0 HD22 ASN A 58 -14.447 -19.512 1.997 1.00 1.00 H new ATOM 973 N ASP A 59 -16.786 -19.253 2.759 1.00 1.00 N ATOM 974 CA ASP A 59 -17.440 -20.515 2.458 1.00 1.00 C ATOM 975 C ASP A 59 -18.666 -20.677 3.359 1.00 1.00 C ATOM 976 O ASP A 59 -19.781 -20.777 2.825 1.00 1.00 O ATOM 977 CB ASP A 59 -16.503 -21.697 2.719 1.00 1.00 C ATOM 978 CG ASP A 59 -15.593 -22.071 1.548 1.00 1.00 C ATOM 979 OD1 ASP A 59 -14.511 -21.491 1.369 1.00 1.00 O ATOM 980 OD2 ASP A 59 -16.040 -23.014 0.789 1.00 1.00 O ATOM 0 H ASP A 59 -15.930 -19.345 3.306 1.00 1.00 H new ATOM 0 HA ASP A 59 -17.724 -20.505 1.406 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -15.881 -21.464 3.583 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -17.104 -22.566 2.984 1.00 1.00 H new ATOM 985 N CYS A 60 -18.441 -20.698 4.685 1.00 1.00 N ATOM 986 CA CYS A 60 -19.520 -20.846 5.647 1.00 1.00 C ATOM 987 C CYS A 60 -19.180 -21.979 6.617 1.00 1.00 C ATOM 988 O CYS A 60 -20.068 -22.795 6.905 1.00 1.00 O ATOM 989 CB CYS A 60 -20.858 -21.079 4.943 1.00 1.00 C ATOM 990 SG CYS A 60 -21.008 -22.683 4.102 1.00 1.00 S ATOM 0 H CYS A 60 -17.515 -20.613 5.104 1.00 1.00 H new ATOM 0 HA CYS A 60 -19.625 -19.923 6.217 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -21.659 -20.994 5.678 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -21.011 -20.285 4.211 1.00 1.00 H new ATOM 0 HG CYS A 60 -20.392 -22.633 2.958 1.00 1.00 H new ATOM 996 N PHE A 61 -17.923 -22.006 7.095 1.00 1.00 N ATOM 997 CA PHE A 61 -17.475 -23.030 8.024 1.00 1.00 C ATOM 998 C PHE A 61 -17.379 -22.431 9.428 1.00 1.00 C ATOM 999 O PHE A 61 -17.671 -21.236 9.581 1.00 1.00 O ATOM 1000 CB PHE A 61 -16.105 -23.567 7.564 1.00 1.00 C ATOM 1001 CG PHE A 61 -15.256 -22.566 6.792 1.00 1.00 C ATOM 1002 CD1 PHE A 61 -14.830 -21.366 7.408 1.00 1.00 C ATOM 1003 CD2 PHE A 61 -14.895 -22.829 5.451 1.00 1.00 C ATOM 1004 CE1 PHE A 61 -14.047 -20.438 6.688 1.00 1.00 C ATOM 1005 CE2 PHE A 61 -14.112 -21.901 4.731 1.00 1.00 C ATOM 1006 CZ PHE A 61 -13.688 -20.706 5.350 1.00 1.00 C ATOM 0 H PHE A 61 -17.207 -21.324 6.846 1.00 1.00 H new ATOM 0 HA PHE A 61 -18.186 -23.856 8.046 1.00 1.00 H new ATOM 0 HB2 PHE A 61 -15.547 -23.897 8.440 1.00 1.00 H new ATOM 0 HB3 PHE A 61 -16.266 -24.445 6.939 1.00 1.00 H new ATOM 0 HD1 PHE A 61 -15.105 -21.159 8.432 1.00 1.00 H new ATOM 0 HD2 PHE A 61 -15.219 -23.743 4.976 1.00 1.00 H new ATOM 0 HE1 PHE A 61 -13.723 -19.523 7.161 1.00 1.00 H new ATOM 0 HE2 PHE A 61 -13.838 -22.106 3.707 1.00 1.00 H new ATOM 0 HZ PHE A 61 -13.088 -19.996 4.799 1.00 1.00 H new ATOM 1016 N VAL A 62 -16.978 -23.259 10.410 1.00 1.00 N ATOM 1017 CA VAL A 62 -16.847 -22.814 11.787 1.00 1.00 C ATOM 1018 C VAL A 62 -15.409 -23.043 12.257 1.00 1.00 C ATOM 1019 O VAL A 62 -14.684 -23.799 11.593 1.00 1.00 O ATOM 1020 CB VAL A 62 -17.882 -23.518 12.665 1.00 1.00 C ATOM 1021 CG1 VAL A 62 -19.179 -22.709 12.739 1.00 1.00 C ATOM 1022 CG2 VAL A 62 -18.150 -24.939 12.166 1.00 1.00 C ATOM 0 H VAL A 62 -16.741 -24.240 10.263 1.00 1.00 H new ATOM 0 HA VAL A 62 -17.048 -21.746 11.864 1.00 1.00 H new ATOM 0 HB VAL A 62 -17.473 -23.589 13.673 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -19.898 -23.232 13.369 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -18.971 -21.727 13.163 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -19.592 -22.592 11.737 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -18.890 -25.417 12.808 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -18.527 -24.901 11.144 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -17.224 -25.514 12.189 1.00 1.00 H new ATOM 1032 N LYS A 63 -15.031 -22.397 13.374 1.00 1.00 N ATOM 1033 CA LYS A 63 -13.693 -22.529 13.925 1.00 1.00 C ATOM 1034 C LYS A 63 -13.787 -23.023 15.370 1.00 1.00 C ATOM 1035 O LYS A 63 -14.880 -22.944 15.950 1.00 1.00 O ATOM 1036 CB LYS A 63 -12.918 -21.219 13.772 1.00 1.00 C ATOM 1037 CG LYS A 63 -13.494 -20.132 14.682 1.00 1.00 C ATOM 1038 CD LYS A 63 -14.184 -19.040 13.862 1.00 1.00 C ATOM 1039 CE LYS A 63 -13.530 -17.678 14.102 1.00 1.00 C ATOM 1040 NZ LYS A 63 -14.165 -16.647 13.265 1.00 1.00 N ATOM 0 H LYS A 63 -15.644 -21.779 13.906 1.00 1.00 H new ATOM 0 HA LYS A 63 -13.125 -23.275 13.369 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -11.868 -21.383 14.015 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -12.957 -20.888 12.734 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -14.207 -20.575 15.377 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -12.696 -19.693 15.280 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -14.134 -19.290 12.802 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -15.240 -18.992 14.129 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -13.618 -17.406 15.154 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -12.465 -17.734 13.875 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -13.709 -15.729 13.440 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -14.059 -16.900 12.262 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -15.176 -16.582 13.501 1.00 1.00 H new ATOM 1054 N ILE A 64 -12.659 -23.514 15.914 1.00 1.00 N ATOM 1055 CA ILE A 64 -12.615 -24.014 17.277 1.00 1.00 C ATOM 1056 C ILE A 64 -11.712 -23.110 18.119 1.00 1.00 C ATOM 1057 O ILE A 64 -10.523 -23.430 18.258 1.00 1.00 O ATOM 1058 CB ILE A 64 -12.200 -25.486 17.295 1.00 1.00 C ATOM 1059 CG1 ILE A 64 -10.793 -25.666 16.722 1.00 1.00 C ATOM 1060 CG2 ILE A 64 -13.229 -26.355 16.570 1.00 1.00 C ATOM 1061 CD1 ILE A 64 -9.823 -26.167 17.794 1.00 1.00 C ATOM 0 H ILE A 64 -11.769 -23.570 15.419 1.00 1.00 H new ATOM 0 HA ILE A 64 -13.607 -23.981 17.726 1.00 1.00 H new ATOM 0 HB ILE A 64 -12.171 -25.820 18.332 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -10.822 -26.374 15.894 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -10.437 -24.718 16.319 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -12.910 -27.397 16.598 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -14.197 -26.259 17.062 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -13.315 -26.029 15.533 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -8.830 -26.286 17.360 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -9.778 -25.445 18.610 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -10.169 -27.127 18.178 1.00 1.00 H new ATOM 1073 N PRO A 65 -12.285 -22.017 18.655 1.00 1.00 N ATOM 1074 CA PRO A 65 -11.569 -21.058 19.478 1.00 1.00 C ATOM 1075 C PRO A 65 -11.316 -21.619 20.879 1.00 1.00 C ATOM 1076 O PRO A 65 -11.526 -20.884 21.855 1.00 1.00 O ATOM 1077 CB PRO A 65 -12.443 -19.815 19.485 1.00 1.00 C ATOM 1078 CG PRO A 65 -13.827 -20.276 19.055 1.00 1.00 C ATOM 1079 CD PRO A 65 -13.692 -21.672 18.469 1.00 1.00 C ATOM 0 HA PRO A 65 -10.577 -20.828 19.089 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -12.472 -19.364 20.477 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -12.053 -19.060 18.803 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -14.508 -20.283 19.906 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -14.245 -19.591 18.317 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -14.344 -22.381 18.979 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -13.968 -21.687 17.415 1.00 1.00 H new ATOM 1087 N ARG A 66 -10.878 -22.889 20.949 1.00 1.00 N ATOM 1088 CA ARG A 66 -10.601 -23.538 22.219 1.00 1.00 C ATOM 1089 C ARG A 66 -10.235 -25.003 21.969 1.00 1.00 C ATOM 1090 O ARG A 66 -11.134 -25.854 22.031 1.00 1.00 O ATOM 1091 CB ARG A 66 -11.805 -23.474 23.160 1.00 1.00 C ATOM 1092 CG ARG A 66 -11.369 -23.619 24.619 1.00 1.00 C ATOM 1093 CD ARG A 66 -11.326 -22.258 25.316 1.00 1.00 C ATOM 1094 NE ARG A 66 -9.923 -21.876 25.594 1.00 1.00 N ATOM 1095 CZ ARG A 66 -9.202 -22.349 26.633 1.00 1.00 C ATOM 1096 NH1 ARG A 66 -9.772 -23.219 27.477 1.00 1.00 N ATOM 1097 NH2 ARG A 66 -7.935 -21.953 26.816 1.00 1.00 N ATOM 0 H ARG A 66 -10.712 -23.477 20.133 1.00 1.00 H new ATOM 0 HA ARG A 66 -9.772 -23.012 22.693 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -12.326 -22.526 23.025 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -12.511 -24.265 22.907 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -12.059 -24.279 25.145 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -10.385 -24.086 24.664 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -11.799 -21.503 24.688 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -11.892 -22.299 26.247 1.00 1.00 H new ATOM 0 HE ARG A 66 -9.473 -21.214 24.961 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -10.737 -23.515 27.330 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -9.241 -23.586 28.267 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -7.509 -21.290 26.168 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.396 -22.314 27.603 1.00 1.00 H new ATOM 1111 N GLU A 67 -8.944 -25.263 21.694 1.00 1.00 N ATOM 1112 CA GLU A 67 -8.468 -26.612 21.438 1.00 1.00 C ATOM 1113 C GLU A 67 -8.629 -27.454 22.704 1.00 1.00 C ATOM 1114 O GLU A 67 -7.901 -27.203 23.676 1.00 1.00 O ATOM 1115 CB GLU A 67 -7.015 -26.613 20.959 1.00 1.00 C ATOM 1116 CG GLU A 67 -6.127 -25.799 21.902 1.00 1.00 C ATOM 1117 CD GLU A 67 -5.071 -26.687 22.563 1.00 1.00 C ATOM 1118 OE1 GLU A 67 -5.511 -27.811 23.018 1.00 1.00 O ATOM 1119 OE2 GLU A 67 -3.893 -26.304 22.632 1.00 1.00 O ATOM 0 H GLU A 67 -8.219 -24.547 21.646 1.00 1.00 H new ATOM 0 HA GLU A 67 -9.066 -27.048 20.638 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -6.648 -27.638 20.902 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -6.960 -26.198 19.953 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -5.638 -24.998 21.347 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -6.741 -25.326 22.668 1.00 1.00 H new ATOM 1204 N GLY A 74 -2.556 -24.760 15.066 1.00 1.00 N ATOM 1205 CA GLY A 74 -3.550 -23.796 14.623 1.00 1.00 C ATOM 1206 C GLY A 74 -4.924 -24.204 15.159 1.00 1.00 C ATOM 1207 O GLY A 74 -5.041 -24.426 16.373 1.00 1.00 O ATOM 0 HA2 GLY A 74 -3.290 -22.799 14.978 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -3.570 -23.751 13.534 1.00 1.00 H new ATOM 1211 N ASN A 75 -5.919 -24.292 14.259 1.00 1.00 N ATOM 1212 CA ASN A 75 -7.270 -24.670 14.639 1.00 1.00 C ATOM 1213 C ASN A 75 -7.830 -25.651 13.608 1.00 1.00 C ATOM 1214 O ASN A 75 -7.084 -26.040 12.698 1.00 1.00 O ATOM 1215 CB ASN A 75 -8.191 -23.449 14.681 1.00 1.00 C ATOM 1216 CG ASN A 75 -7.659 -22.392 15.650 1.00 1.00 C ATOM 1217 OD1 ASN A 75 -6.633 -21.770 15.429 1.00 1.00 O ATOM 1218 ND2 ASN A 75 -8.411 -22.225 16.734 1.00 1.00 N ATOM 0 H ASN A 75 -5.801 -24.104 13.263 1.00 1.00 H new ATOM 0 HA ASN A 75 -7.228 -25.124 15.629 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -8.278 -23.021 13.682 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.192 -23.755 14.985 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -8.140 -21.543 17.442 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -9.259 -22.779 16.857 1.00 1.00 H new ATOM 1225 N TYR A 76 -9.112 -26.025 13.767 1.00 1.00 N ATOM 1226 CA TYR A 76 -9.703 -26.958 12.823 1.00 1.00 C ATOM 1227 C TYR A 76 -11.091 -26.458 12.419 1.00 1.00 C ATOM 1228 O TYR A 76 -12.026 -26.627 13.215 1.00 1.00 O ATOM 1229 CB TYR A 76 -9.760 -28.369 13.439 1.00 1.00 C ATOM 1230 CG TYR A 76 -8.480 -28.804 14.139 1.00 1.00 C ATOM 1231 CD1 TYR A 76 -7.225 -28.628 13.512 1.00 1.00 C ATOM 1232 CD2 TYR A 76 -8.542 -29.393 15.423 1.00 1.00 C ATOM 1233 CE1 TYR A 76 -6.042 -29.036 14.163 1.00 1.00 C ATOM 1234 CE2 TYR A 76 -7.359 -29.800 16.075 1.00 1.00 C ATOM 1235 CZ TYR A 76 -6.108 -29.622 15.447 1.00 1.00 C ATOM 1236 OH TYR A 76 -4.965 -30.017 16.082 1.00 1.00 O ATOM 0 H TYR A 76 -9.729 -25.704 14.513 1.00 1.00 H new ATOM 0 HA TYR A 76 -9.088 -27.019 11.925 1.00 1.00 H new ATOM 0 HB2 TYR A 76 -10.581 -28.406 14.155 1.00 1.00 H new ATOM 0 HB3 TYR A 76 -9.990 -29.087 12.652 1.00 1.00 H new ATOM 0 HD1 TYR A 76 -7.172 -28.180 12.531 1.00 1.00 H new ATOM 0 HD2 TYR A 76 -9.498 -29.532 15.906 1.00 1.00 H new ATOM 0 HE1 TYR A 76 -5.086 -28.900 13.680 1.00 1.00 H new ATOM 0 HE2 TYR A 76 -7.411 -30.248 17.056 1.00 1.00 H new ATOM 0 HH TYR A 76 -5.191 -30.398 16.956 1.00 1.00 H new ATOM 1246 N TRP A 77 -11.197 -25.856 11.220 1.00 1.00 N ATOM 1247 CA TRP A 77 -12.461 -25.331 10.732 1.00 1.00 C ATOM 1248 C TRP A 77 -13.156 -26.397 9.881 1.00 1.00 C ATOM 1249 O TRP A 77 -12.459 -27.109 9.144 1.00 1.00 O ATOM 1250 CB TRP A 77 -12.234 -24.019 9.979 1.00 1.00 C ATOM 1251 CG TRP A 77 -11.516 -22.947 10.799 1.00 1.00 C ATOM 1252 CD1 TRP A 77 -10.728 -23.117 11.870 1.00 1.00 C ATOM 1253 CD2 TRP A 77 -11.550 -21.522 10.571 1.00 1.00 C ATOM 1254 NE1 TRP A 77 -10.255 -21.911 12.347 1.00 1.00 N ATOM 1255 CE2 TRP A 77 -10.771 -20.911 11.531 1.00 1.00 C ATOM 1256 CE3 TRP A 77 -12.218 -20.775 9.585 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 -10.585 -19.525 11.600 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 -12.023 -19.391 9.667 1.00 1.00 C ATOM 1259 CH2 TRP A 77 -11.241 -18.760 10.628 1.00 1.00 C ATOM 0 H TRP A 77 -10.414 -25.727 10.579 1.00 1.00 H new ATOM 0 HA TRP A 77 -13.122 -25.097 11.566 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.653 -24.224 9.080 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -13.198 -23.628 9.653 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -10.493 -24.077 12.305 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -9.640 -21.778 13.150 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -12.833 -21.233 8.824 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.969 -19.071 12.362 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -12.514 -18.770 8.932 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -11.140 -17.685 10.625 1.00 1.00 H new ATOM 1270 N THR A 78 -14.493 -26.483 9.998 1.00 1.00 N ATOM 1271 CA THR A 78 -15.271 -27.452 9.245 1.00 1.00 C ATOM 1272 C THR A 78 -16.308 -26.717 8.394 1.00 1.00 C ATOM 1273 O THR A 78 -16.810 -25.676 8.844 1.00 1.00 O ATOM 1274 CB THR A 78 -15.888 -28.451 10.226 1.00 1.00 C ATOM 1275 OG1 THR A 78 -16.590 -27.633 11.159 1.00 1.00 O ATOM 1276 CG2 THR A 78 -14.835 -29.166 11.075 1.00 1.00 C ATOM 0 H THR A 78 -15.048 -25.886 10.612 1.00 1.00 H new ATOM 0 HA THR A 78 -14.646 -28.018 8.554 1.00 1.00 H new ATOM 0 HB THR A 78 -16.470 -29.189 9.674 1.00 1.00 H new ATOM 0 HG1 THR A 78 -17.022 -28.200 11.831 1.00 1.00 H new ATOM 0 HG21 THR A 78 -15.327 -29.863 11.754 1.00 1.00 H new ATOM 0 HG22 THR A 78 -14.153 -29.713 10.424 1.00 1.00 H new ATOM 0 HG23 THR A 78 -14.274 -28.432 11.653 1.00 1.00 H new ATOM 1284 N LEU A 79 -16.603 -27.262 7.200 1.00 1.00 N ATOM 1285 CA LEU A 79 -17.570 -26.661 6.297 1.00 1.00 C ATOM 1286 C LEU A 79 -18.974 -27.142 6.668 1.00 1.00 C ATOM 1287 O LEU A 79 -19.107 -28.295 7.104 1.00 1.00 O ATOM 1288 CB LEU A 79 -17.189 -26.940 4.842 1.00 1.00 C ATOM 1289 CG LEU A 79 -16.566 -25.771 4.076 1.00 1.00 C ATOM 1290 CD1 LEU A 79 -15.043 -25.908 4.012 1.00 1.00 C ATOM 1291 CD2 LEU A 79 -17.187 -25.633 2.685 1.00 1.00 C ATOM 0 H LEU A 79 -16.178 -28.120 6.848 1.00 1.00 H new ATOM 0 HA LEU A 79 -17.566 -25.576 6.401 1.00 1.00 H new ATOM 0 HB2 LEU A 79 -16.488 -27.775 4.824 1.00 1.00 H new ATOM 0 HB3 LEU A 79 -18.083 -27.263 4.309 1.00 1.00 H new ATOM 0 HG LEU A 79 -16.785 -24.852 4.619 1.00 1.00 H new ATOM 0 HD11 LEU A 79 -14.625 -25.065 3.462 1.00 1.00 H new ATOM 0 HD12 LEU A 79 -14.636 -25.920 5.023 1.00 1.00 H new ATOM 0 HD13 LEU A 79 -14.782 -26.837 3.505 1.00 1.00 H new ATOM 0 HD21 LEU A 79 -16.726 -24.795 2.162 1.00 1.00 H new ATOM 0 HD22 LEU A 79 -17.020 -26.550 2.119 1.00 1.00 H new ATOM 0 HD23 LEU A 79 -18.258 -25.456 2.781 1.00 1.00 H new ATOM 1303 N ASP A 80 -19.978 -26.264 6.491 1.00 1.00 N ATOM 1304 CA ASP A 80 -21.357 -26.597 6.806 1.00 1.00 C ATOM 1305 C ASP A 80 -21.890 -27.580 5.761 1.00 1.00 C ATOM 1306 O ASP A 80 -22.540 -28.560 6.153 1.00 1.00 O ATOM 1307 CB ASP A 80 -22.244 -25.350 6.778 1.00 1.00 C ATOM 1308 CG ASP A 80 -23.680 -25.589 6.306 1.00 1.00 C ATOM 1309 OD1 ASP A 80 -24.464 -26.109 7.188 1.00 1.00 O ATOM 1310 OD2 ASP A 80 -24.031 -25.293 5.154 1.00 1.00 O ATOM 0 H ASP A 80 -19.847 -25.319 6.130 1.00 1.00 H new ATOM 0 HA ASP A 80 -21.380 -27.034 7.804 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -22.273 -24.921 7.779 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -21.782 -24.608 6.127 1.00 1.00 H new