USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1226 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: B 14 LYS NZ :NH3+ -168:sc= 2.24 (180deg=0.683) USER MOD Set 1.2: B 81 ASN : amide:sc= 0.584 K(o=4.1,f=-8.4!) USER MOD Set 1.3: B 83 SER OG : rot -81:sc= 1.29 USER MOD Set 2.1: B 78 HIS : no HD1:sc= -0.761 K(o=-0.76,f=-1.8!) USER MOD Set 2.2: B 80 SER OG : rot -160:sc= 0 USER MOD Set 3.1: B 54 LYS NZ :NH3+ 156:sc= 1.68 (180deg=0.202) USER MOD Set 3.2: B 66 GLN : amide:sc= 0.957 K(o=-5.7,f=-20!) USER MOD Set 3.3: B 76 ASN : amide:sc= -8.38! C(o=-5.7!,f=-16!) USER MOD Set 4.1: B 62 LYS NZ :NH3+ 171:sc= 2.15 (180deg=0.946!) USER MOD Set 4.2: B 64 GLN : amide:sc= -0.774 K(o=1.4,f=-9.8!) USER MOD Set 5.1: B 51 LYS NZ :NH3+ -129:sc= 0.683 (180deg=0.541) USER MOD Set 5.2: B 52 CYS SG : rot -173:sc= -4.69! USER MOD Set 6.1: B 45 HIS : no HE2:sc= -0.466 X(o=-0.44,f=-0.56) USER MOD Set 6.2: B 75 THR OG1 : rot 145:sc= 0.0257 USER MOD Set 7.1: B 38 LYS NZ :NH3+ -167:sc= 2.51 (180deg=1.23) USER MOD Set 7.2: B 42 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 397 MET CE :methyl -123:sc= 0 (180deg=-1.47) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 TYR OH : rot 150:sc= -0.414 USER MOD Single : A 406 SER OG : rot -120:sc= 1.34 USER MOD Single : A 409 SER OG : rot -72:sc= -0.511 USER MOD Single : A 410 GLN : amide:sc= -1.02 K(o=-1,f=-0.3) USER MOD Single : A 417 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.12) USER MOD Single : A 418 MET CE :methyl -152:sc= -3.6! (180deg=-4.51!) USER MOD Single : A 419 THR OG1 : rot 152:sc= 0.665 USER MOD Single : A 423 LYS NZ :NH3+ -125:sc= -3.83! (180deg=-4.57!) USER MOD Single : A 426 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 429 MET CE :methyl -157:sc= -4.71! (180deg=-5.93!) USER MOD Single : A 431 GLN : amide:sc= 0.58 K(o=0.58,f=-0.36) USER MOD Single : A 433 MET CE :methyl -135:sc= -2.24 (180deg=-4.56!) USER MOD Single : B 13 LYS NZ :NH3+ -143:sc= 1.37 (180deg=-0.476) USER MOD Single : B 17 GLN : amide:sc= -3.28! C(o=-3.3!,f=-2.6!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= -2.03! K(o=-2!,f=-0.5) USER MOD Single : B 25 TYR OH : rot 30:sc= 0.13 USER MOD Single : B 27 MET CE :methyl -132:sc= -3.96! (180deg=-8.72!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -137:sc= -2.23 (180deg=-2.64) USER MOD Single : B 47 TYR OH : rot 180:sc= -0.663 USER MOD Single : B 53 GLN : amide:sc= -4.35! X(o=-4.4!,f=-4) USER MOD Single : B 56 SER OG : rot 123:sc= 2.38 USER MOD Single : B 60 LYS NZ :NH3+ 134:sc= 1.88 (180deg=-0.581) USER MOD Single : B 70 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-3!) USER MOD Single : B 74 THR OG1 : rot 28:sc= 0.238 USER MOD Single : B 84 THR OG1 : rot 113:sc= 0.192 USER MOD Single : B 87 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.18) USER MOD Single : B 93 LYS NZ :NH3+ 145:sc= 1.83 (180deg=-0.183) USER MOD Single : B 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 98 GLN : amide:sc= -2.18! K(o=-2.2!,f=-1.6) USER MOD Single : B 102 LYS NZ :NH3+ 147:sc= -0.47 (180deg=-0.994) USER MOD Single : B 104 LYS NZ :NH3+ -158:sc= 2.27 (180deg=0.175!) USER MOD ----------------------------------------------------------------- ATOM 58 N GLU A 382 9.830 11.731 14.225 1.00 0.00 N ATOM 59 CA GLU A 382 8.796 12.464 13.520 1.00 0.00 C ATOM 60 C GLU A 382 8.775 12.092 12.049 1.00 0.00 C ATOM 61 O GLU A 382 9.710 12.387 11.306 1.00 0.00 O ATOM 62 CB GLU A 382 8.968 13.978 13.661 1.00 0.00 C ATOM 63 CG GLU A 382 7.712 14.758 13.288 1.00 0.00 C ATOM 64 CD GLU A 382 7.498 14.872 11.787 1.00 0.00 C ATOM 65 OE1 GLU A 382 8.269 15.594 11.122 1.00 0.00 O ATOM 66 OE2 GLU A 382 6.563 14.222 11.264 1.00 0.00 O ATOM 0 HA GLU A 382 7.847 12.185 13.977 1.00 0.00 H new ATOM 0 HB2 GLU A 382 9.243 14.213 14.689 1.00 0.00 H new ATOM 0 HB3 GLU A 382 9.793 14.305 13.028 1.00 0.00 H new ATOM 0 HG2 GLU A 382 6.845 14.272 13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 382 7.774 15.758 13.716 1.00 0.00 H new ATOM 73 N GLU A 383 7.700 11.428 11.664 1.00 0.00 N ATOM 74 CA GLU A 383 7.462 11.017 10.289 1.00 0.00 C ATOM 75 C GLU A 383 6.099 10.321 10.230 1.00 0.00 C ATOM 76 O GLU A 383 5.837 9.492 9.365 1.00 0.00 O ATOM 77 CB GLU A 383 8.588 10.110 9.768 1.00 0.00 C ATOM 78 CG GLU A 383 8.829 10.224 8.263 1.00 0.00 C ATOM 79 CD GLU A 383 9.956 11.182 7.898 1.00 0.00 C ATOM 80 OE1 GLU A 383 9.743 12.414 7.958 1.00 0.00 O ATOM 81 OE2 GLU A 383 11.054 10.702 7.532 1.00 0.00 O ATOM 0 H GLU A 383 6.956 11.154 12.306 1.00 0.00 H new ATOM 0 HA GLU A 383 7.455 11.891 9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 383 9.511 10.355 10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 383 8.349 9.075 10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 383 9.059 9.236 7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 383 7.910 10.556 7.780 1.00 0.00 H new ATOM 88 N ASP A 384 5.236 10.697 11.181 1.00 0.00 N ATOM 89 CA ASP A 384 3.872 10.162 11.300 1.00 0.00 C ATOM 90 C ASP A 384 2.972 11.279 11.830 1.00 0.00 C ATOM 91 O ASP A 384 2.547 12.153 11.071 1.00 0.00 O ATOM 92 CB ASP A 384 3.830 8.936 12.240 1.00 0.00 C ATOM 93 CG ASP A 384 2.486 8.201 12.242 1.00 0.00 C ATOM 94 OD1 ASP A 384 1.430 8.863 12.186 1.00 0.00 O ATOM 95 OD2 ASP A 384 2.483 6.952 12.316 1.00 0.00 O ATOM 0 H ASP A 384 5.465 11.387 11.896 1.00 0.00 H new ATOM 0 HA ASP A 384 3.523 9.826 10.324 1.00 0.00 H new ATOM 0 HB2 ASP A 384 4.614 8.238 11.946 1.00 0.00 H new ATOM 0 HB3 ASP A 384 4.057 9.261 13.255 1.00 0.00 H new ATOM 100 N ASP A 385 2.699 11.237 13.134 1.00 0.00 N ATOM 101 CA ASP A 385 1.904 12.255 13.834 1.00 0.00 C ATOM 102 C ASP A 385 0.405 12.239 13.491 1.00 0.00 C ATOM 103 O ASP A 385 -0.419 12.545 14.350 1.00 0.00 O ATOM 104 CB ASP A 385 2.489 13.652 13.582 1.00 0.00 C ATOM 105 CG ASP A 385 1.888 14.717 14.479 1.00 0.00 C ATOM 106 OD1 ASP A 385 1.992 14.586 15.712 1.00 0.00 O ATOM 107 OD2 ASP A 385 1.327 15.697 13.940 1.00 0.00 O ATOM 0 H ASP A 385 3.026 10.488 13.744 1.00 0.00 H new ATOM 0 HA ASP A 385 1.968 12.002 14.892 1.00 0.00 H new ATOM 0 HB2 ASP A 385 3.568 13.621 13.736 1.00 0.00 H new ATOM 0 HB3 ASP A 385 2.324 13.927 12.540 1.00 0.00 H new ATOM 112 N GLU A 386 0.037 11.856 12.270 1.00 0.00 N ATOM 113 CA GLU A 386 -1.359 11.858 11.869 1.00 0.00 C ATOM 114 C GLU A 386 -1.511 11.049 10.611 1.00 0.00 C ATOM 115 O GLU A 386 -1.563 11.595 9.509 1.00 0.00 O ATOM 116 CB GLU A 386 -1.834 13.277 11.609 1.00 0.00 C ATOM 117 CG GLU A 386 -2.916 13.759 12.560 1.00 0.00 C ATOM 118 CD GLU A 386 -3.461 15.120 12.180 1.00 0.00 C ATOM 119 OE1 GLU A 386 -2.661 15.982 11.756 1.00 0.00 O ATOM 120 OE2 GLU A 386 -4.682 15.330 12.304 1.00 0.00 O ATOM 0 H GLU A 386 0.686 11.543 11.548 1.00 0.00 H new ATOM 0 HA GLU A 386 -1.958 11.426 12.670 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -0.980 13.951 11.677 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.210 13.340 10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -3.731 13.036 12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -2.512 13.803 13.572 1.00 0.00 H new ATOM 127 N PHE A 387 -1.548 9.750 10.772 1.00 0.00 N ATOM 128 CA PHE A 387 -1.652 8.860 9.642 1.00 0.00 C ATOM 129 C PHE A 387 -2.911 8.030 9.699 1.00 0.00 C ATOM 130 O PHE A 387 -3.345 7.598 10.768 1.00 0.00 O ATOM 131 CB PHE A 387 -0.435 7.933 9.568 1.00 0.00 C ATOM 132 CG PHE A 387 0.814 8.600 9.078 1.00 0.00 C ATOM 133 CD1 PHE A 387 0.861 9.969 8.940 1.00 0.00 C ATOM 134 CD2 PHE A 387 1.943 7.863 8.760 1.00 0.00 C ATOM 135 CE1 PHE A 387 1.986 10.597 8.503 1.00 0.00 C ATOM 136 CE2 PHE A 387 3.082 8.494 8.317 1.00 0.00 C ATOM 137 CZ PHE A 387 3.096 9.865 8.191 1.00 0.00 C ATOM 0 H PHE A 387 -1.507 9.283 11.678 1.00 0.00 H new ATOM 0 HA PHE A 387 -1.689 9.482 8.748 1.00 0.00 H new ATOM 0 HB2 PHE A 387 -0.248 7.518 10.558 1.00 0.00 H new ATOM 0 HB3 PHE A 387 -0.669 7.096 8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 387 -0.012 10.556 9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 387 1.929 6.788 8.860 1.00 0.00 H new ATOM 0 HE1 PHE A 387 2.001 11.672 8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 387 3.961 7.917 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 387 3.989 10.364 7.844 1.00 0.00 H new ATOM 147 N GLU A 388 -3.460 7.786 8.529 1.00 0.00 N ATOM 148 CA GLU A 388 -4.655 6.994 8.390 1.00 0.00 C ATOM 149 C GLU A 388 -4.220 5.583 8.121 1.00 0.00 C ATOM 150 O GLU A 388 -3.475 5.350 7.164 1.00 0.00 O ATOM 151 CB GLU A 388 -5.510 7.484 7.215 1.00 0.00 C ATOM 152 CG GLU A 388 -6.014 8.905 7.356 1.00 0.00 C ATOM 153 CD GLU A 388 -7.086 9.043 8.419 1.00 0.00 C ATOM 154 OE1 GLU A 388 -6.763 8.881 9.612 1.00 0.00 O ATOM 155 OE2 GLU A 388 -8.249 9.317 8.055 1.00 0.00 O ATOM 0 H GLU A 388 -3.086 8.134 7.646 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.255 7.070 9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.924 7.409 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.365 6.818 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.178 9.560 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.412 9.242 6.399 1.00 0.00 H new ATOM 162 N GLU A 389 -4.609 4.653 8.969 1.00 0.00 N ATOM 163 CA GLU A 389 -4.235 3.280 8.738 1.00 0.00 C ATOM 164 C GLU A 389 -4.915 2.835 7.452 1.00 0.00 C ATOM 165 O GLU A 389 -6.127 2.611 7.420 1.00 0.00 O ATOM 166 CB GLU A 389 -4.632 2.389 9.918 1.00 0.00 C ATOM 167 CG GLU A 389 -3.964 1.023 9.886 1.00 0.00 C ATOM 168 CD GLU A 389 -3.274 0.662 11.189 1.00 0.00 C ATOM 169 OE1 GLU A 389 -2.756 1.570 11.869 1.00 0.00 O ATOM 170 OE2 GLU A 389 -3.229 -0.549 11.519 1.00 0.00 O ATOM 0 H GLU A 389 -5.170 4.819 9.804 1.00 0.00 H new ATOM 0 HA GLU A 389 -3.153 3.193 8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -4.372 2.892 10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -5.714 2.258 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 389 -4.713 0.265 9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 389 -3.233 1.002 9.078 1.00 0.00 H new ATOM 177 N VAL A 390 -4.134 2.722 6.389 1.00 0.00 N ATOM 178 CA VAL A 390 -4.681 2.343 5.110 1.00 0.00 C ATOM 179 C VAL A 390 -4.955 0.855 5.096 1.00 0.00 C ATOM 180 O VAL A 390 -4.082 0.046 5.425 1.00 0.00 O ATOM 181 CB VAL A 390 -3.765 2.676 3.914 1.00 0.00 C ATOM 182 CG1 VAL A 390 -4.550 2.629 2.617 1.00 0.00 C ATOM 183 CG2 VAL A 390 -3.107 4.025 4.072 1.00 0.00 C ATOM 0 H VAL A 390 -3.128 2.887 6.393 1.00 0.00 H new ATOM 0 HA VAL A 390 -5.595 2.925 4.992 1.00 0.00 H new ATOM 0 HB VAL A 390 -2.978 1.922 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -3.889 2.866 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -4.965 1.631 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.361 3.356 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -2.470 4.223 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -3.873 4.797 4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -2.502 4.031 4.979 1.00 0.00 H new ATOM 193 N ALA A 391 -6.153 0.502 4.703 1.00 0.00 N ATOM 194 CA ALA A 391 -6.558 -0.881 4.645 1.00 0.00 C ATOM 195 C ALA A 391 -6.337 -1.427 3.251 1.00 0.00 C ATOM 196 O ALA A 391 -6.502 -0.714 2.268 1.00 0.00 O ATOM 197 CB ALA A 391 -8.018 -1.026 5.050 1.00 0.00 C ATOM 0 H ALA A 391 -6.874 1.163 4.415 1.00 0.00 H new ATOM 0 HA ALA A 391 -5.951 -1.454 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -8.307 -2.076 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -8.151 -0.661 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.643 -0.445 4.372 1.00 0.00 H new ATOM 203 N ASP A 392 -5.900 -2.664 3.193 1.00 0.00 N ATOM 204 CA ASP A 392 -5.661 -3.366 1.940 1.00 0.00 C ATOM 205 C ASP A 392 -6.965 -3.574 1.177 1.00 0.00 C ATOM 206 O ASP A 392 -7.606 -4.616 1.287 1.00 0.00 O ATOM 207 CB ASP A 392 -4.995 -4.722 2.209 1.00 0.00 C ATOM 208 CG ASP A 392 -5.649 -5.509 3.334 1.00 0.00 C ATOM 209 OD1 ASP A 392 -5.563 -5.068 4.501 1.00 0.00 O ATOM 210 OD2 ASP A 392 -6.223 -6.587 3.061 1.00 0.00 O ATOM 0 H ASP A 392 -5.696 -3.223 4.021 1.00 0.00 H new ATOM 0 HA ASP A 392 -4.996 -2.754 1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -5.022 -5.318 1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -3.945 -4.560 2.453 1.00 0.00 H new ATOM 215 N ASP A 393 -7.357 -2.576 0.408 1.00 0.00 N ATOM 216 CA ASP A 393 -8.582 -2.671 -0.360 1.00 0.00 C ATOM 217 C ASP A 393 -8.276 -2.814 -1.842 1.00 0.00 C ATOM 218 O ASP A 393 -7.666 -1.933 -2.449 1.00 0.00 O ATOM 219 CB ASP A 393 -9.457 -1.444 -0.123 1.00 0.00 C ATOM 220 CG ASP A 393 -10.934 -1.724 -0.374 1.00 0.00 C ATOM 221 OD1 ASP A 393 -11.347 -1.798 -1.554 1.00 0.00 O ATOM 222 OD2 ASP A 393 -11.692 -1.867 0.608 1.00 0.00 O ATOM 0 H ASP A 393 -6.850 -1.698 0.299 1.00 0.00 H new ATOM 0 HA ASP A 393 -9.123 -3.558 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 393 -9.325 -1.100 0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 393 -9.128 -0.635 -0.775 1.00 0.00 H new ATOM 227 N PRO A 394 -8.691 -3.936 -2.443 1.00 0.00 N ATOM 228 CA PRO A 394 -8.464 -4.205 -3.856 1.00 0.00 C ATOM 229 C PRO A 394 -9.525 -3.576 -4.754 1.00 0.00 C ATOM 230 O PRO A 394 -10.571 -3.123 -4.290 1.00 0.00 O ATOM 231 CB PRO A 394 -8.545 -5.726 -3.914 1.00 0.00 C ATOM 232 CG PRO A 394 -9.542 -6.080 -2.868 1.00 0.00 C ATOM 233 CD PRO A 394 -9.406 -5.042 -1.780 1.00 0.00 C ATOM 0 HA PRO A 394 -7.523 -3.788 -4.214 1.00 0.00 H new ATOM 0 HB2 PRO A 394 -8.862 -6.070 -4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 394 -7.577 -6.184 -3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 394 -10.552 -6.082 -3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 394 -9.355 -7.080 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 394 -10.379 -4.723 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -8.847 -5.426 -0.927 1.00 0.00 H new ATOM 241 N ILE A 395 -9.257 -3.574 -6.049 1.00 0.00 N ATOM 242 CA ILE A 395 -10.176 -3.000 -7.017 1.00 0.00 C ATOM 243 C ILE A 395 -10.854 -4.094 -7.824 1.00 0.00 C ATOM 244 O ILE A 395 -10.196 -4.931 -8.442 1.00 0.00 O ATOM 245 CB ILE A 395 -9.457 -2.025 -7.982 1.00 0.00 C ATOM 246 CG1 ILE A 395 -9.119 -0.727 -7.256 1.00 0.00 C ATOM 247 CG2 ILE A 395 -10.304 -1.738 -9.221 1.00 0.00 C ATOM 248 CD1 ILE A 395 -10.320 -0.043 -6.640 1.00 0.00 C ATOM 0 H ILE A 395 -8.407 -3.965 -6.455 1.00 0.00 H new ATOM 0 HA ILE A 395 -10.925 -2.441 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 395 -8.534 -2.499 -8.316 1.00 0.00 H new ATOM 0 HG12 ILE A 395 -8.391 -0.938 -6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 395 -8.642 -0.042 -7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 395 -9.769 -1.050 -9.876 1.00 0.00 H new ATOM 0 HG22 ILE A 395 -10.498 -2.669 -9.753 1.00 0.00 H new ATOM 0 HG23 ILE A 395 -11.250 -1.289 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 395 -10.001 0.872 -6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 395 -11.040 0.201 -7.421 1.00 0.00 H new ATOM 0 HD13 ILE A 395 -10.785 -0.709 -5.913 1.00 0.00 H new ATOM 260 N VAL A 396 -12.169 -4.079 -7.804 1.00 0.00 N ATOM 261 CA VAL A 396 -12.960 -5.042 -8.533 1.00 0.00 C ATOM 262 C VAL A 396 -13.893 -4.294 -9.479 1.00 0.00 C ATOM 263 O VAL A 396 -14.735 -3.506 -9.050 1.00 0.00 O ATOM 264 CB VAL A 396 -13.733 -5.980 -7.567 1.00 0.00 C ATOM 265 CG1 VAL A 396 -14.107 -5.265 -6.277 1.00 0.00 C ATOM 266 CG2 VAL A 396 -14.956 -6.586 -8.231 1.00 0.00 C ATOM 0 H VAL A 396 -12.719 -3.398 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 396 -12.307 -5.685 -9.122 1.00 0.00 H new ATOM 0 HB VAL A 396 -13.061 -6.799 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 396 -14.647 -5.951 -5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 396 -13.202 -4.923 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 396 -14.741 -4.408 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 396 -15.470 -7.236 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 396 -15.630 -5.790 -8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 396 -14.648 -7.168 -9.100 1.00 0.00 H new ATOM 276 N MET A 397 -13.721 -4.524 -10.772 1.00 0.00 N ATOM 277 CA MET A 397 -14.510 -3.841 -11.768 1.00 0.00 C ATOM 278 C MET A 397 -15.837 -4.532 -11.962 1.00 0.00 C ATOM 279 O MET A 397 -15.922 -5.756 -11.930 1.00 0.00 O ATOM 280 CB MET A 397 -13.752 -3.771 -13.096 1.00 0.00 C ATOM 281 CG MET A 397 -12.273 -3.460 -12.932 1.00 0.00 C ATOM 282 SD MET A 397 -11.432 -3.184 -14.503 1.00 0.00 S ATOM 283 CE MET A 397 -12.031 -1.551 -14.921 1.00 0.00 C ATOM 0 H MET A 397 -13.039 -5.181 -11.150 1.00 0.00 H new ATOM 0 HA MET A 397 -14.696 -2.826 -11.418 1.00 0.00 H new ATOM 0 HB2 MET A 397 -13.860 -4.722 -13.618 1.00 0.00 H new ATOM 0 HB3 MET A 397 -14.208 -3.008 -13.726 1.00 0.00 H new ATOM 0 HG2 MET A 397 -12.161 -2.575 -12.306 1.00 0.00 H new ATOM 0 HG3 MET A 397 -11.790 -4.285 -12.408 1.00 0.00 H new ATOM 0 HE1 MET A 397 -12.518 -1.581 -15.896 1.00 0.00 H new ATOM 0 HE2 MET A 397 -12.747 -1.222 -14.168 1.00 0.00 H new ATOM 0 HE3 MET A 397 -11.194 -0.854 -14.955 1.00 0.00 H new ATOM 293 N VAL A 398 -16.869 -3.730 -12.112 1.00 0.00 N ATOM 294 CA VAL A 398 -18.204 -4.226 -12.338 1.00 0.00 C ATOM 295 C VAL A 398 -18.789 -3.534 -13.553 1.00 0.00 C ATOM 296 O VAL A 398 -18.866 -2.300 -13.598 1.00 0.00 O ATOM 297 CB VAL A 398 -19.121 -4.000 -11.132 1.00 0.00 C ATOM 298 CG1 VAL A 398 -20.517 -4.490 -11.459 1.00 0.00 C ATOM 299 CG2 VAL A 398 -18.578 -4.709 -9.903 1.00 0.00 C ATOM 0 H VAL A 398 -16.803 -2.713 -12.080 1.00 0.00 H new ATOM 0 HA VAL A 398 -18.137 -5.302 -12.500 1.00 0.00 H new ATOM 0 HB VAL A 398 -19.161 -2.933 -10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 398 -21.169 -4.329 -10.601 1.00 0.00 H new ATOM 0 HG12 VAL A 398 -20.904 -3.940 -12.317 1.00 0.00 H new ATOM 0 HG13 VAL A 398 -20.483 -5.554 -11.695 1.00 0.00 H new ATOM 0 HG21 VAL A 398 -19.245 -4.535 -9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 398 -18.513 -5.779 -10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 398 -17.586 -4.322 -9.668 1.00 0.00 H new ATOM 309 N ALA A 399 -19.169 -4.330 -14.542 1.00 0.00 N ATOM 310 CA ALA A 399 -19.718 -3.828 -15.786 1.00 0.00 C ATOM 311 C ALA A 399 -18.674 -2.971 -16.494 1.00 0.00 C ATOM 312 O ALA A 399 -19.009 -2.076 -17.275 1.00 0.00 O ATOM 313 CB ALA A 399 -21.006 -3.046 -15.540 1.00 0.00 C ATOM 0 H ALA A 399 -19.103 -5.347 -14.500 1.00 0.00 H new ATOM 0 HA ALA A 399 -19.972 -4.671 -16.429 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.397 -2.681 -16.490 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -21.743 -3.697 -15.071 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.799 -2.201 -14.884 1.00 0.00 H new ATOM 319 N GLY A 400 -17.400 -3.242 -16.205 1.00 0.00 N ATOM 320 CA GLY A 400 -16.324 -2.488 -16.816 1.00 0.00 C ATOM 321 C GLY A 400 -15.971 -1.242 -16.025 1.00 0.00 C ATOM 322 O GLY A 400 -15.050 -0.509 -16.381 1.00 0.00 O ATOM 0 H GLY A 400 -17.098 -3.971 -15.558 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -15.442 -3.123 -16.902 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -16.612 -2.204 -17.828 1.00 0.00 H new ATOM 326 N ARG A 401 -16.708 -0.997 -14.951 1.00 0.00 N ATOM 327 CA ARG A 401 -16.463 0.161 -14.104 1.00 0.00 C ATOM 328 C ARG A 401 -15.647 -0.256 -12.889 1.00 0.00 C ATOM 329 O ARG A 401 -16.051 -1.142 -12.143 1.00 0.00 O ATOM 330 CB ARG A 401 -17.782 0.800 -13.666 1.00 0.00 C ATOM 331 CG ARG A 401 -18.240 1.935 -14.566 1.00 0.00 C ATOM 332 CD ARG A 401 -19.662 1.720 -15.059 1.00 0.00 C ATOM 333 NE ARG A 401 -19.727 0.744 -16.148 1.00 0.00 N ATOM 334 CZ ARG A 401 -20.338 0.964 -17.313 1.00 0.00 C ATOM 335 NH1 ARG A 401 -20.944 2.125 -17.542 1.00 0.00 N ATOM 336 NH2 ARG A 401 -20.341 0.020 -18.247 1.00 0.00 N ATOM 0 H ARG A 401 -17.482 -1.586 -14.645 1.00 0.00 H new ATOM 0 HA ARG A 401 -15.902 0.901 -14.675 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -18.556 0.033 -13.641 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -17.673 1.176 -12.649 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -18.182 2.878 -14.022 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -17.567 2.017 -15.419 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -20.284 1.380 -14.231 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -20.074 2.670 -15.399 1.00 0.00 H new ATOM 0 HE ARG A 401 -19.277 -0.161 -16.007 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -20.943 2.851 -16.826 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -21.410 2.290 -18.434 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -19.877 -0.871 -18.073 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -20.808 0.186 -19.139 1.00 0.00 H new ATOM 350 N PRO A 402 -14.483 0.365 -12.683 1.00 0.00 N ATOM 351 CA PRO A 402 -13.604 0.029 -11.564 1.00 0.00 C ATOM 352 C PRO A 402 -14.124 0.510 -10.211 1.00 0.00 C ATOM 353 O PRO A 402 -14.154 1.707 -9.928 1.00 0.00 O ATOM 354 CB PRO A 402 -12.295 0.733 -11.919 1.00 0.00 C ATOM 355 CG PRO A 402 -12.697 1.882 -12.779 1.00 0.00 C ATOM 356 CD PRO A 402 -13.929 1.441 -13.524 1.00 0.00 C ATOM 0 HA PRO A 402 -13.513 -1.051 -11.444 1.00 0.00 H new ATOM 0 HB2 PRO A 402 -11.774 1.073 -11.024 1.00 0.00 H new ATOM 0 HB3 PRO A 402 -11.617 0.063 -12.447 1.00 0.00 H new ATOM 0 HG2 PRO A 402 -12.903 2.766 -12.176 1.00 0.00 H new ATOM 0 HG3 PRO A 402 -11.898 2.148 -13.471 1.00 0.00 H new ATOM 0 HD2 PRO A 402 -14.638 2.260 -13.644 1.00 0.00 H new ATOM 0 HD3 PRO A 402 -13.685 1.082 -14.524 1.00 0.00 H new ATOM 364 N PHE A 403 -14.549 -0.438 -9.393 1.00 0.00 N ATOM 365 CA PHE A 403 -15.036 -0.145 -8.056 1.00 0.00 C ATOM 366 C PHE A 403 -14.113 -0.805 -7.047 1.00 0.00 C ATOM 367 O PHE A 403 -13.359 -1.709 -7.396 1.00 0.00 O ATOM 368 CB PHE A 403 -16.461 -0.675 -7.866 1.00 0.00 C ATOM 369 CG PHE A 403 -17.496 0.026 -8.699 1.00 0.00 C ATOM 370 CD1 PHE A 403 -17.879 1.326 -8.407 1.00 0.00 C ATOM 371 CD2 PHE A 403 -18.089 -0.619 -9.771 1.00 0.00 C ATOM 372 CE1 PHE A 403 -18.835 1.967 -9.173 1.00 0.00 C ATOM 373 CE2 PHE A 403 -19.044 0.017 -10.538 1.00 0.00 C ATOM 374 CZ PHE A 403 -19.417 1.313 -10.239 1.00 0.00 C ATOM 0 H PHE A 403 -14.566 -1.429 -9.636 1.00 0.00 H new ATOM 0 HA PHE A 403 -15.050 0.935 -7.911 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -16.476 -1.738 -8.107 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -16.734 -0.583 -6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -17.426 1.843 -7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -17.801 -1.632 -10.010 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -19.126 2.980 -8.937 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -19.499 -0.498 -11.371 1.00 0.00 H new ATOM 0 HZ PHE A 403 -20.163 1.813 -10.839 1.00 0.00 H new ATOM 384 N SER A 404 -14.147 -0.356 -5.813 1.00 0.00 N ATOM 385 CA SER A 404 -13.317 -0.958 -4.789 1.00 0.00 C ATOM 386 C SER A 404 -14.042 -2.172 -4.226 1.00 0.00 C ATOM 387 O SER A 404 -15.240 -2.336 -4.450 1.00 0.00 O ATOM 388 CB SER A 404 -13.012 0.053 -3.690 1.00 0.00 C ATOM 389 OG SER A 404 -12.980 1.373 -4.212 1.00 0.00 O ATOM 0 H SER A 404 -14.733 0.416 -5.494 1.00 0.00 H new ATOM 0 HA SER A 404 -12.366 -1.273 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 404 -13.768 -0.015 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 404 -12.053 -0.183 -3.228 1.00 0.00 H new ATOM 0 HG SER A 404 -12.784 2.006 -3.490 1.00 0.00 H new ATOM 395 N TYR A 405 -13.334 -3.014 -3.502 1.00 0.00 N ATOM 396 CA TYR A 405 -13.934 -4.211 -2.940 1.00 0.00 C ATOM 397 C TYR A 405 -15.018 -3.837 -1.946 1.00 0.00 C ATOM 398 O TYR A 405 -16.138 -4.335 -2.036 1.00 0.00 O ATOM 399 CB TYR A 405 -12.885 -5.096 -2.271 1.00 0.00 C ATOM 400 CG TYR A 405 -13.431 -6.432 -1.815 1.00 0.00 C ATOM 401 CD1 TYR A 405 -14.027 -6.575 -0.567 1.00 0.00 C ATOM 402 CD2 TYR A 405 -13.362 -7.546 -2.640 1.00 0.00 C ATOM 403 CE1 TYR A 405 -14.537 -7.790 -0.155 1.00 0.00 C ATOM 404 CE2 TYR A 405 -13.871 -8.764 -2.235 1.00 0.00 C ATOM 405 CZ TYR A 405 -14.459 -8.881 -0.993 1.00 0.00 C ATOM 406 OH TYR A 405 -14.969 -10.092 -0.588 1.00 0.00 O ATOM 0 H TYR A 405 -12.344 -2.894 -3.288 1.00 0.00 H new ATOM 0 HA TYR A 405 -14.380 -4.779 -3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 405 -12.065 -5.266 -2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 405 -12.469 -4.569 -1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 405 -14.092 -5.721 0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 405 -12.903 -7.459 -3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 405 -14.995 -7.885 0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -13.809 -9.622 -2.888 1.00 0.00 H new ATOM 0 HH TYR A 405 -15.277 -10.595 -1.370 1.00 0.00 H new ATOM 416 N SER A 406 -14.689 -2.937 -1.025 1.00 0.00 N ATOM 417 CA SER A 406 -15.641 -2.483 -0.019 1.00 0.00 C ATOM 418 C SER A 406 -16.831 -1.791 -0.679 1.00 0.00 C ATOM 419 O SER A 406 -17.927 -1.739 -0.123 1.00 0.00 O ATOM 420 CB SER A 406 -14.947 -1.529 0.952 1.00 0.00 C ATOM 421 OG SER A 406 -13.995 -0.730 0.274 1.00 0.00 O ATOM 0 H SER A 406 -13.767 -2.507 -0.955 1.00 0.00 H new ATOM 0 HA SER A 406 -16.011 -3.348 0.531 1.00 0.00 H new ATOM 0 HB2 SER A 406 -15.687 -0.891 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 406 -14.455 -2.099 1.741 1.00 0.00 H new ATOM 0 HG SER A 406 -13.106 -0.886 0.656 1.00 0.00 H new ATOM 427 N GLU A 407 -16.607 -1.304 -1.889 1.00 0.00 N ATOM 428 CA GLU A 407 -17.628 -0.615 -2.651 1.00 0.00 C ATOM 429 C GLU A 407 -18.558 -1.634 -3.292 1.00 0.00 C ATOM 430 O GLU A 407 -19.789 -1.532 -3.214 1.00 0.00 O ATOM 431 CB GLU A 407 -16.957 0.251 -3.722 1.00 0.00 C ATOM 432 CG GLU A 407 -16.635 1.668 -3.262 1.00 0.00 C ATOM 433 CD GLU A 407 -17.866 2.463 -2.879 1.00 0.00 C ATOM 434 OE1 GLU A 407 -18.555 2.074 -1.913 1.00 0.00 O ATOM 435 OE2 GLU A 407 -18.167 3.466 -3.554 1.00 0.00 O ATOM 0 H GLU A 407 -15.710 -1.377 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 407 -18.216 0.026 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -16.035 -0.234 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -17.609 0.302 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -15.960 1.622 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -16.106 2.191 -4.059 1.00 0.00 H new ATOM 442 N VAL A 408 -17.946 -2.632 -3.905 1.00 0.00 N ATOM 443 CA VAL A 408 -18.672 -3.697 -4.563 1.00 0.00 C ATOM 444 C VAL A 408 -19.437 -4.543 -3.545 1.00 0.00 C ATOM 445 O VAL A 408 -20.571 -4.949 -3.791 1.00 0.00 O ATOM 446 CB VAL A 408 -17.708 -4.598 -5.368 1.00 0.00 C ATOM 447 CG1 VAL A 408 -18.428 -5.805 -5.921 1.00 0.00 C ATOM 448 CG2 VAL A 408 -17.052 -3.826 -6.499 1.00 0.00 C ATOM 0 H VAL A 408 -16.932 -2.724 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 408 -19.386 -3.240 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 408 -16.932 -4.937 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 408 -17.726 -6.421 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 408 -18.846 -6.387 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 408 -19.232 -5.478 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 408 -16.379 -4.485 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 408 -17.819 -3.447 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 408 -16.485 -2.990 -6.088 1.00 0.00 H new ATOM 458 N SER A 409 -18.824 -4.773 -2.390 1.00 0.00 N ATOM 459 CA SER A 409 -19.443 -5.579 -1.340 1.00 0.00 C ATOM 460 C SER A 409 -20.621 -4.851 -0.705 1.00 0.00 C ATOM 461 O SER A 409 -21.557 -5.476 -0.210 1.00 0.00 O ATOM 462 CB SER A 409 -18.415 -5.940 -0.263 1.00 0.00 C ATOM 463 OG SER A 409 -17.758 -4.785 0.233 1.00 0.00 O ATOM 0 H SER A 409 -17.899 -4.414 -2.155 1.00 0.00 H new ATOM 0 HA SER A 409 -19.813 -6.494 -1.802 1.00 0.00 H new ATOM 0 HB2 SER A 409 -18.912 -6.458 0.557 1.00 0.00 H new ATOM 0 HB3 SER A 409 -17.679 -6.630 -0.677 1.00 0.00 H new ATOM 0 HG SER A 409 -17.145 -4.439 -0.449 1.00 0.00 H new ATOM 469 N GLN A 410 -20.569 -3.526 -0.718 1.00 0.00 N ATOM 470 CA GLN A 410 -21.633 -2.725 -0.137 1.00 0.00 C ATOM 471 C GLN A 410 -22.790 -2.556 -1.109 1.00 0.00 C ATOM 472 O GLN A 410 -23.898 -2.211 -0.702 1.00 0.00 O ATOM 473 CB GLN A 410 -21.107 -1.354 0.291 1.00 0.00 C ATOM 474 CG GLN A 410 -20.482 -1.345 1.679 1.00 0.00 C ATOM 475 CD GLN A 410 -21.443 -1.792 2.769 1.00 0.00 C ATOM 476 OE1 GLN A 410 -21.033 -2.369 3.773 1.00 0.00 O ATOM 477 NE2 GLN A 410 -22.728 -1.525 2.584 1.00 0.00 N ATOM 0 H GLN A 410 -19.804 -2.987 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 410 -21.998 -3.254 0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -20.366 -1.016 -0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -21.927 -0.636 0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -19.609 -1.998 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -20.128 -0.339 1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -23.032 -1.044 1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -23.413 -1.800 3.288 1.00 0.00 H new ATOM 486 N ARG A 411 -22.530 -2.779 -2.393 1.00 0.00 N ATOM 487 CA ARG A 411 -23.571 -2.649 -3.403 1.00 0.00 C ATOM 488 C ARG A 411 -23.953 -3.999 -4.011 1.00 0.00 C ATOM 489 O ARG A 411 -23.288 -4.505 -4.930 1.00 0.00 O ATOM 490 CB ARG A 411 -23.133 -1.693 -4.507 1.00 0.00 C ATOM 491 CG ARG A 411 -23.262 -0.228 -4.131 1.00 0.00 C ATOM 492 CD ARG A 411 -22.615 0.656 -5.181 1.00 0.00 C ATOM 493 NE ARG A 411 -22.296 1.990 -4.676 1.00 0.00 N ATOM 494 CZ ARG A 411 -21.273 2.245 -3.859 1.00 0.00 C ATOM 495 NH1 ARG A 411 -20.584 1.250 -3.321 1.00 0.00 N ATOM 496 NH2 ARG A 411 -20.957 3.494 -3.549 1.00 0.00 N ATOM 0 H ARG A 411 -21.615 -3.048 -2.756 1.00 0.00 H new ATOM 0 HA ARG A 411 -24.451 -2.245 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 411 -22.095 -1.903 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 411 -23.730 -1.884 -5.399 1.00 0.00 H new ATOM 0 HG2 ARG A 411 -24.315 0.034 -4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 411 -22.793 -0.054 -3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 411 -21.702 0.180 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 411 -23.284 0.746 -6.037 1.00 0.00 H new ATOM 0 HE ARG A 411 -22.888 2.769 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 411 -20.835 0.284 -3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 411 -19.802 1.450 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 411 -21.497 4.268 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 411 -20.173 3.682 -2.924 1.00 0.00 H new ATOM 510 N PRO A 412 -25.040 -4.600 -3.504 1.00 0.00 N ATOM 511 CA PRO A 412 -25.543 -5.878 -4.004 1.00 0.00 C ATOM 512 C PRO A 412 -25.892 -5.797 -5.487 1.00 0.00 C ATOM 513 O PRO A 412 -25.804 -6.791 -6.206 1.00 0.00 O ATOM 514 CB PRO A 412 -26.805 -6.128 -3.172 1.00 0.00 C ATOM 515 CG PRO A 412 -26.635 -5.290 -1.952 1.00 0.00 C ATOM 516 CD PRO A 412 -25.856 -4.084 -2.391 1.00 0.00 C ATOM 0 HA PRO A 412 -24.805 -6.675 -3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -27.703 -5.846 -3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -26.906 -7.183 -2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -27.601 -5.002 -1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -26.104 -5.837 -1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -26.512 -3.276 -2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -25.236 -3.689 -1.586 1.00 0.00 H new ATOM 524 N GLU A 413 -26.266 -4.598 -5.943 1.00 0.00 N ATOM 525 CA GLU A 413 -26.620 -4.385 -7.339 1.00 0.00 C ATOM 526 C GLU A 413 -25.378 -4.518 -8.198 1.00 0.00 C ATOM 527 O GLU A 413 -25.445 -4.970 -9.335 1.00 0.00 O ATOM 528 CB GLU A 413 -27.239 -3.002 -7.565 1.00 0.00 C ATOM 529 CG GLU A 413 -27.995 -2.454 -6.370 1.00 0.00 C ATOM 530 CD GLU A 413 -27.113 -1.589 -5.497 1.00 0.00 C ATOM 531 OE1 GLU A 413 -26.361 -2.155 -4.682 1.00 0.00 O ATOM 532 OE2 GLU A 413 -27.152 -0.354 -5.643 1.00 0.00 O ATOM 0 H GLU A 413 -26.330 -3.763 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 413 -27.360 -5.137 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -26.447 -2.302 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -27.918 -3.055 -8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -28.848 -1.871 -6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -28.392 -3.281 -5.780 1.00 0.00 H new ATOM 539 N LEU A 414 -24.241 -4.127 -7.641 1.00 0.00 N ATOM 540 CA LEU A 414 -22.984 -4.216 -8.358 1.00 0.00 C ATOM 541 C LEU A 414 -22.653 -5.668 -8.629 1.00 0.00 C ATOM 542 O LEU A 414 -22.387 -6.043 -9.758 1.00 0.00 O ATOM 543 CB LEU A 414 -21.848 -3.557 -7.576 1.00 0.00 C ATOM 544 CG LEU A 414 -21.807 -2.031 -7.656 1.00 0.00 C ATOM 545 CD1 LEU A 414 -20.497 -1.513 -7.089 1.00 0.00 C ATOM 546 CD2 LEU A 414 -21.996 -1.563 -9.092 1.00 0.00 C ATOM 0 H LEU A 414 -24.166 -3.747 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 414 -23.092 -3.683 -9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -21.931 -3.849 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -20.900 -3.950 -7.942 1.00 0.00 H new ATOM 0 HG LEU A 414 -22.626 -1.629 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -20.479 -0.425 -7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -20.406 -1.819 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -19.665 -1.923 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -21.964 -0.474 -9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -21.200 -1.970 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -22.960 -1.909 -9.464 1.00 0.00 H new ATOM 558 N VAL A 415 -22.718 -6.495 -7.600 1.00 0.00 N ATOM 559 CA VAL A 415 -22.420 -7.918 -7.764 1.00 0.00 C ATOM 560 C VAL A 415 -23.503 -8.580 -8.620 1.00 0.00 C ATOM 561 O VAL A 415 -23.280 -9.616 -9.256 1.00 0.00 O ATOM 562 CB VAL A 415 -22.293 -8.625 -6.389 1.00 0.00 C ATOM 563 CG1 VAL A 415 -22.054 -10.120 -6.538 1.00 0.00 C ATOM 564 CG2 VAL A 415 -21.170 -7.997 -5.578 1.00 0.00 C ATOM 0 H VAL A 415 -22.970 -6.217 -6.652 1.00 0.00 H new ATOM 0 HA VAL A 415 -21.461 -8.016 -8.272 1.00 0.00 H new ATOM 0 HB VAL A 415 -23.239 -8.492 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 415 -21.971 -10.575 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 415 -22.888 -10.570 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 415 -21.131 -10.287 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 415 -21.091 -8.502 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 415 -20.229 -8.098 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 415 -21.384 -6.940 -5.417 1.00 0.00 H new ATOM 574 N ALA A 416 -24.663 -7.943 -8.662 1.00 0.00 N ATOM 575 CA ALA A 416 -25.791 -8.429 -9.438 1.00 0.00 C ATOM 576 C ALA A 416 -25.650 -8.057 -10.912 1.00 0.00 C ATOM 577 O ALA A 416 -26.182 -8.739 -11.785 1.00 0.00 O ATOM 578 CB ALA A 416 -27.078 -7.857 -8.877 1.00 0.00 C ATOM 0 H ALA A 416 -24.848 -7.075 -8.159 1.00 0.00 H new ATOM 0 HA ALA A 416 -25.814 -9.517 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 416 -27.923 -8.222 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 416 -27.192 -8.168 -7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 416 -27.045 -6.769 -8.928 1.00 0.00 H new ATOM 584 N GLN A 417 -24.911 -6.986 -11.185 1.00 0.00 N ATOM 585 CA GLN A 417 -24.716 -6.527 -12.549 1.00 0.00 C ATOM 586 C GLN A 417 -23.335 -6.922 -13.008 1.00 0.00 C ATOM 587 O GLN A 417 -22.983 -6.763 -14.176 1.00 0.00 O ATOM 588 CB GLN A 417 -24.878 -5.006 -12.655 1.00 0.00 C ATOM 589 CG GLN A 417 -26.273 -4.504 -12.311 1.00 0.00 C ATOM 590 CD GLN A 417 -27.351 -5.068 -13.220 1.00 0.00 C ATOM 591 OE1 GLN A 417 -28.498 -5.234 -12.811 1.00 0.00 O ATOM 592 NE2 GLN A 417 -26.994 -5.361 -14.463 1.00 0.00 N ATOM 0 H GLN A 417 -24.439 -6.423 -10.478 1.00 0.00 H new ATOM 0 HA GLN A 417 -25.473 -6.990 -13.182 1.00 0.00 H new ATOM 0 HB2 GLN A 417 -24.158 -4.528 -11.992 1.00 0.00 H new ATOM 0 HB3 GLN A 417 -24.632 -4.695 -13.670 1.00 0.00 H new ATOM 0 HG2 GLN A 417 -26.503 -4.767 -11.278 1.00 0.00 H new ATOM 0 HG3 GLN A 417 -26.287 -3.416 -12.373 1.00 0.00 H new ATOM 0 HE21 GLN A 417 -26.032 -5.210 -14.766 1.00 0.00 H new ATOM 0 HE22 GLN A 417 -27.681 -5.738 -15.116 1.00 0.00 H new ATOM 601 N MET A 418 -22.557 -7.435 -12.070 1.00 0.00 N ATOM 602 CA MET A 418 -21.217 -7.855 -12.360 1.00 0.00 C ATOM 603 C MET A 418 -21.273 -9.182 -13.080 1.00 0.00 C ATOM 604 O MET A 418 -22.039 -10.089 -12.717 1.00 0.00 O ATOM 605 CB MET A 418 -20.373 -7.923 -11.081 1.00 0.00 C ATOM 606 CG MET A 418 -20.107 -9.321 -10.568 1.00 0.00 C ATOM 607 SD MET A 418 -19.633 -9.337 -8.830 1.00 0.00 S ATOM 608 CE MET A 418 -18.301 -8.140 -8.836 1.00 0.00 C ATOM 0 H MET A 418 -22.842 -7.567 -11.100 1.00 0.00 H new ATOM 0 HA MET A 418 -20.729 -7.126 -13.007 1.00 0.00 H new ATOM 0 HB2 MET A 418 -19.418 -7.432 -11.267 1.00 0.00 H new ATOM 0 HB3 MET A 418 -20.877 -7.355 -10.300 1.00 0.00 H new ATOM 0 HG2 MET A 418 -21.000 -9.931 -10.704 1.00 0.00 H new ATOM 0 HG3 MET A 418 -19.316 -9.778 -11.162 1.00 0.00 H new ATOM 0 HE1 MET A 418 -17.599 -8.373 -8.035 1.00 0.00 H new ATOM 0 HE2 MET A 418 -17.783 -8.176 -9.795 1.00 0.00 H new ATOM 0 HE3 MET A 418 -18.709 -7.141 -8.682 1.00 0.00 H new ATOM 618 N THR A 419 -20.467 -9.274 -14.093 1.00 0.00 N ATOM 619 CA THR A 419 -20.410 -10.461 -14.936 1.00 0.00 C ATOM 620 C THR A 419 -19.750 -11.612 -14.191 1.00 0.00 C ATOM 621 O THR A 419 -19.210 -11.407 -13.105 1.00 0.00 O ATOM 622 CB THR A 419 -19.636 -10.176 -16.242 1.00 0.00 C ATOM 623 OG1 THR A 419 -18.238 -10.028 -15.969 1.00 0.00 O ATOM 624 CG2 THR A 419 -20.158 -8.920 -16.925 1.00 0.00 C ATOM 0 H THR A 419 -19.823 -8.534 -14.371 1.00 0.00 H new ATOM 0 HA THR A 419 -21.433 -10.738 -15.190 1.00 0.00 H new ATOM 0 HB THR A 419 -19.786 -11.023 -16.911 1.00 0.00 H new ATOM 0 HG1 THR A 419 -17.721 -10.285 -16.761 1.00 0.00 H new ATOM 0 HG21 THR A 419 -19.595 -8.744 -17.842 1.00 0.00 H new ATOM 0 HG22 THR A 419 -21.213 -9.049 -17.166 1.00 0.00 H new ATOM 0 HG23 THR A 419 -20.040 -8.067 -16.257 1.00 0.00 H new ATOM 632 N PRO A 420 -19.830 -12.850 -14.718 1.00 0.00 N ATOM 633 CA PRO A 420 -19.182 -14.004 -14.089 1.00 0.00 C ATOM 634 C PRO A 420 -17.709 -13.709 -13.836 1.00 0.00 C ATOM 635 O PRO A 420 -17.201 -13.912 -12.738 1.00 0.00 O ATOM 636 CB PRO A 420 -19.347 -15.119 -15.125 1.00 0.00 C ATOM 637 CG PRO A 420 -20.559 -14.734 -15.900 1.00 0.00 C ATOM 638 CD PRO A 420 -20.565 -13.230 -15.941 1.00 0.00 C ATOM 0 HA PRO A 420 -19.611 -14.264 -13.121 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -18.471 -15.194 -15.770 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -19.474 -16.090 -14.646 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -20.527 -15.152 -16.906 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -21.463 -15.115 -15.425 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -20.075 -12.851 -16.838 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -21.580 -12.832 -15.940 1.00 0.00 H new ATOM 646 N GLU A 421 -17.047 -13.174 -14.856 1.00 0.00 N ATOM 647 CA GLU A 421 -15.638 -12.812 -14.762 1.00 0.00 C ATOM 648 C GLU A 421 -15.410 -11.862 -13.592 1.00 0.00 C ATOM 649 O GLU A 421 -14.500 -12.062 -12.789 1.00 0.00 O ATOM 650 CB GLU A 421 -15.154 -12.136 -16.050 1.00 0.00 C ATOM 651 CG GLU A 421 -15.621 -12.809 -17.332 1.00 0.00 C ATOM 652 CD GLU A 421 -17.023 -12.391 -17.719 1.00 0.00 C ATOM 653 OE1 GLU A 421 -17.201 -11.237 -18.154 1.00 0.00 O ATOM 654 OE2 GLU A 421 -17.949 -13.206 -17.554 1.00 0.00 O ATOM 0 H GLU A 421 -17.468 -12.980 -15.765 1.00 0.00 H new ATOM 0 HA GLU A 421 -15.073 -13.731 -14.608 1.00 0.00 H new ATOM 0 HB2 GLU A 421 -15.497 -11.101 -16.053 1.00 0.00 H new ATOM 0 HB3 GLU A 421 -14.064 -12.111 -16.044 1.00 0.00 H new ATOM 0 HG2 GLU A 421 -14.934 -12.562 -18.141 1.00 0.00 H new ATOM 0 HG3 GLU A 421 -15.588 -13.891 -17.205 1.00 0.00 H new ATOM 661 N GLU A 422 -16.252 -10.836 -13.495 1.00 0.00 N ATOM 662 CA GLU A 422 -16.147 -9.849 -12.441 1.00 0.00 C ATOM 663 C GLU A 422 -16.507 -10.450 -11.084 1.00 0.00 C ATOM 664 O GLU A 422 -15.837 -10.191 -10.086 1.00 0.00 O ATOM 665 CB GLU A 422 -17.051 -8.675 -12.799 1.00 0.00 C ATOM 666 CG GLU A 422 -16.616 -7.990 -14.084 1.00 0.00 C ATOM 667 CD GLU A 422 -17.536 -6.870 -14.495 1.00 0.00 C ATOM 668 OE1 GLU A 422 -18.761 -6.978 -14.252 1.00 0.00 O ATOM 669 OE2 GLU A 422 -17.039 -5.868 -15.060 1.00 0.00 O ATOM 0 H GLU A 422 -17.021 -10.672 -14.145 1.00 0.00 H new ATOM 0 HA GLU A 422 -15.118 -9.501 -12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -18.077 -9.027 -12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -17.046 -7.952 -11.983 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -15.608 -7.596 -13.956 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -16.570 -8.728 -14.885 1.00 0.00 H new ATOM 676 N LYS A 423 -17.568 -11.243 -11.054 1.00 0.00 N ATOM 677 CA LYS A 423 -18.013 -11.906 -9.831 1.00 0.00 C ATOM 678 C LYS A 423 -16.946 -12.832 -9.283 1.00 0.00 C ATOM 679 O LYS A 423 -16.567 -12.728 -8.120 1.00 0.00 O ATOM 680 CB LYS A 423 -19.278 -12.713 -10.103 1.00 0.00 C ATOM 681 CG LYS A 423 -19.989 -13.175 -8.841 1.00 0.00 C ATOM 682 CD LYS A 423 -21.309 -13.857 -9.158 1.00 0.00 C ATOM 683 CE LYS A 423 -22.451 -12.857 -9.240 1.00 0.00 C ATOM 684 NZ LYS A 423 -22.313 -11.931 -10.401 1.00 0.00 N ATOM 0 H LYS A 423 -18.144 -11.446 -11.871 1.00 0.00 H new ATOM 0 HA LYS A 423 -18.216 -11.131 -9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -19.964 -12.108 -10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -19.020 -13.585 -10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -19.346 -13.863 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -20.168 -12.319 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -21.225 -14.392 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -21.529 -14.599 -8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -23.396 -13.394 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -22.489 -12.277 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -22.343 -10.947 -10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -21.406 -12.106 -10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -23.093 -12.093 -11.069 1.00 0.00 H new ATOM 698 N GLU A 424 -16.450 -13.711 -10.135 1.00 0.00 N ATOM 699 CA GLU A 424 -15.440 -14.674 -9.732 1.00 0.00 C ATOM 700 C GLU A 424 -14.171 -13.946 -9.332 1.00 0.00 C ATOM 701 O GLU A 424 -13.439 -14.388 -8.446 1.00 0.00 O ATOM 702 CB GLU A 424 -15.174 -15.680 -10.853 1.00 0.00 C ATOM 703 CG GLU A 424 -16.124 -16.875 -10.843 1.00 0.00 C ATOM 704 CD GLU A 424 -17.592 -16.485 -10.964 1.00 0.00 C ATOM 705 OE1 GLU A 424 -18.196 -16.095 -9.939 1.00 0.00 O ATOM 706 OE2 GLU A 424 -18.143 -16.575 -12.082 1.00 0.00 O ATOM 0 H GLU A 424 -16.731 -13.778 -11.113 1.00 0.00 H new ATOM 0 HA GLU A 424 -15.804 -15.234 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -15.255 -15.171 -11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -14.149 -16.041 -10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -15.865 -17.542 -11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -15.980 -17.436 -9.919 1.00 0.00 H new ATOM 713 N ALA A 425 -13.928 -12.818 -9.981 1.00 0.00 N ATOM 714 CA ALA A 425 -12.777 -11.997 -9.672 1.00 0.00 C ATOM 715 C ALA A 425 -12.952 -11.391 -8.288 1.00 0.00 C ATOM 716 O ALA A 425 -12.037 -11.408 -7.468 1.00 0.00 O ATOM 717 CB ALA A 425 -12.615 -10.911 -10.718 1.00 0.00 C ATOM 0 H ALA A 425 -14.518 -12.452 -10.728 1.00 0.00 H new ATOM 0 HA ALA A 425 -11.876 -12.611 -9.679 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -11.746 -10.299 -10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -12.476 -11.368 -11.698 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -13.507 -10.285 -10.733 1.00 0.00 H new ATOM 723 N TYR A 426 -14.152 -10.875 -8.035 1.00 0.00 N ATOM 724 CA TYR A 426 -14.489 -10.280 -6.752 1.00 0.00 C ATOM 725 C TYR A 426 -14.421 -11.337 -5.657 1.00 0.00 C ATOM 726 O TYR A 426 -13.874 -11.099 -4.581 1.00 0.00 O ATOM 727 CB TYR A 426 -15.895 -9.668 -6.824 1.00 0.00 C ATOM 728 CG TYR A 426 -16.539 -9.402 -5.482 1.00 0.00 C ATOM 729 CD1 TYR A 426 -16.215 -8.270 -4.746 1.00 0.00 C ATOM 730 CD2 TYR A 426 -17.475 -10.282 -4.956 1.00 0.00 C ATOM 731 CE1 TYR A 426 -16.804 -8.025 -3.520 1.00 0.00 C ATOM 732 CE2 TYR A 426 -18.067 -10.044 -3.733 1.00 0.00 C ATOM 733 CZ TYR A 426 -17.729 -8.916 -3.018 1.00 0.00 C ATOM 734 OH TYR A 426 -18.316 -8.684 -1.797 1.00 0.00 O ATOM 0 H TYR A 426 -14.913 -10.859 -8.713 1.00 0.00 H new ATOM 0 HA TYR A 426 -13.774 -9.492 -6.516 1.00 0.00 H new ATOM 0 HB2 TYR A 426 -15.840 -8.731 -7.377 1.00 0.00 H new ATOM 0 HB3 TYR A 426 -16.539 -10.338 -7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 426 -15.492 -7.570 -5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 426 -17.744 -11.167 -5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 426 -16.541 -7.141 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 426 -18.793 -10.739 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 426 -18.944 -9.408 -1.593 1.00 0.00 H new ATOM 744 N ILE A 427 -14.967 -12.511 -5.953 1.00 0.00 N ATOM 745 CA ILE A 427 -14.968 -13.613 -5.009 1.00 0.00 C ATOM 746 C ILE A 427 -13.535 -14.042 -4.696 1.00 0.00 C ATOM 747 O ILE A 427 -13.149 -14.140 -3.533 1.00 0.00 O ATOM 748 CB ILE A 427 -15.783 -14.813 -5.545 1.00 0.00 C ATOM 749 CG1 ILE A 427 -17.268 -14.439 -5.636 1.00 0.00 C ATOM 750 CG2 ILE A 427 -15.597 -16.037 -4.655 1.00 0.00 C ATOM 751 CD1 ILE A 427 -18.109 -15.432 -6.411 1.00 0.00 C ATOM 0 H ILE A 427 -15.416 -12.721 -6.845 1.00 0.00 H new ATOM 0 HA ILE A 427 -15.445 -13.269 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 427 -15.418 -15.061 -6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 427 -17.671 -14.347 -4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 427 -17.357 -13.459 -6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 427 -16.180 -16.868 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 427 -14.543 -16.312 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 427 -15.935 -15.807 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 427 -19.145 -15.095 -6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 427 -17.734 -15.508 -7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 427 -18.053 -16.409 -5.931 1.00 0.00 H new ATOM 763 N ALA A 428 -12.739 -14.258 -5.743 1.00 0.00 N ATOM 764 CA ALA A 428 -11.346 -14.662 -5.580 1.00 0.00 C ATOM 765 C ALA A 428 -10.559 -13.601 -4.815 1.00 0.00 C ATOM 766 O ALA A 428 -9.709 -13.920 -3.982 1.00 0.00 O ATOM 767 CB ALA A 428 -10.704 -14.924 -6.933 1.00 0.00 C ATOM 0 H ALA A 428 -13.037 -14.159 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 428 -11.327 -15.586 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -9.666 -15.224 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -11.245 -15.720 -7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -10.740 -14.016 -7.535 1.00 0.00 H new ATOM 773 N MET A 429 -10.853 -12.337 -5.096 1.00 0.00 N ATOM 774 CA MET A 429 -10.187 -11.227 -4.427 1.00 0.00 C ATOM 775 C MET A 429 -10.571 -11.190 -2.956 1.00 0.00 C ATOM 776 O MET A 429 -9.760 -10.841 -2.099 1.00 0.00 O ATOM 777 CB MET A 429 -10.555 -9.906 -5.101 1.00 0.00 C ATOM 778 CG MET A 429 -9.680 -9.573 -6.297 1.00 0.00 C ATOM 779 SD MET A 429 -9.420 -7.801 -6.491 1.00 0.00 S ATOM 780 CE MET A 429 -11.022 -7.175 -5.999 1.00 0.00 C ATOM 0 H MET A 429 -11.550 -12.055 -5.785 1.00 0.00 H new ATOM 0 HA MET A 429 -9.109 -11.371 -4.503 1.00 0.00 H new ATOM 0 HB2 MET A 429 -11.596 -9.949 -5.423 1.00 0.00 H new ATOM 0 HB3 MET A 429 -10.480 -9.101 -4.370 1.00 0.00 H new ATOM 0 HG2 MET A 429 -8.715 -10.068 -6.186 1.00 0.00 H new ATOM 0 HG3 MET A 429 -10.140 -9.970 -7.202 1.00 0.00 H new ATOM 0 HE1 MET A 429 -11.175 -6.187 -6.432 1.00 0.00 H new ATOM 0 HE2 MET A 429 -11.801 -7.851 -6.352 1.00 0.00 H new ATOM 0 HE3 MET A 429 -11.067 -7.106 -4.912 1.00 0.00 H new ATOM 790 N GLY A 430 -11.806 -11.580 -2.669 1.00 0.00 N ATOM 791 CA GLY A 430 -12.284 -11.594 -1.312 1.00 0.00 C ATOM 792 C GLY A 430 -11.703 -12.746 -0.546 1.00 0.00 C ATOM 793 O GLY A 430 -11.479 -12.644 0.654 1.00 0.00 O ATOM 0 H GLY A 430 -12.486 -11.889 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -12.021 -10.657 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -13.372 -11.662 -1.307 1.00 0.00 H new ATOM 797 N GLN A 431 -11.438 -13.837 -1.256 1.00 0.00 N ATOM 798 CA GLN A 431 -10.865 -15.033 -0.658 1.00 0.00 C ATOM 799 C GLN A 431 -9.565 -14.711 0.067 1.00 0.00 C ATOM 800 O GLN A 431 -9.290 -15.264 1.117 1.00 0.00 O ATOM 801 CB GLN A 431 -10.621 -16.106 -1.720 1.00 0.00 C ATOM 802 CG GLN A 431 -11.896 -16.743 -2.251 1.00 0.00 C ATOM 803 CD GLN A 431 -12.731 -17.403 -1.166 1.00 0.00 C ATOM 804 OE1 GLN A 431 -13.960 -17.379 -1.216 1.00 0.00 O ATOM 805 NE2 GLN A 431 -12.077 -18.014 -0.190 1.00 0.00 N ATOM 0 H GLN A 431 -11.614 -13.915 -2.258 1.00 0.00 H new ATOM 0 HA GLN A 431 -11.581 -15.417 0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -10.073 -15.663 -2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -9.985 -16.884 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -12.495 -15.981 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -11.637 -17.487 -3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -11.057 -18.013 -0.181 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -12.593 -18.485 0.553 1.00 0.00 H new ATOM 814 N ARG A 432 -8.779 -13.786 -0.475 1.00 0.00 N ATOM 815 CA ARG A 432 -7.517 -13.418 0.159 1.00 0.00 C ATOM 816 C ARG A 432 -7.755 -12.740 1.499 1.00 0.00 C ATOM 817 O ARG A 432 -6.943 -12.856 2.409 1.00 0.00 O ATOM 818 CB ARG A 432 -6.681 -12.524 -0.748 1.00 0.00 C ATOM 819 CG ARG A 432 -5.468 -13.240 -1.311 1.00 0.00 C ATOM 820 CD ARG A 432 -5.726 -13.719 -2.728 1.00 0.00 C ATOM 821 NE ARG A 432 -5.206 -15.071 -2.974 1.00 0.00 N ATOM 822 CZ ARG A 432 -5.603 -16.180 -2.330 1.00 0.00 C ATOM 823 NH1 ARG A 432 -6.574 -16.133 -1.421 1.00 0.00 N ATOM 824 NH2 ARG A 432 -5.030 -17.344 -2.615 1.00 0.00 N ATOM 0 H ARG A 432 -8.988 -13.284 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 432 -6.960 -14.338 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -7.301 -12.165 -1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -6.354 -11.648 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -4.609 -12.569 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -5.216 -14.090 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -6.799 -13.706 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -5.267 -13.024 -3.431 1.00 0.00 H new ATOM 0 HE ARG A 432 -4.487 -15.175 -3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -7.028 -15.245 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -6.864 -16.985 -0.940 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -4.294 -17.391 -3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -5.326 -18.191 -2.130 1.00 0.00 H new ATOM 838 N MET A 433 -8.867 -12.027 1.615 1.00 0.00 N ATOM 839 CA MET A 433 -9.215 -11.368 2.866 1.00 0.00 C ATOM 840 C MET A 433 -9.962 -12.356 3.751 1.00 0.00 C ATOM 841 O MET A 433 -9.927 -12.277 4.976 1.00 0.00 O ATOM 842 CB MET A 433 -10.075 -10.130 2.609 1.00 0.00 C ATOM 843 CG MET A 433 -9.276 -8.913 2.171 1.00 0.00 C ATOM 844 SD MET A 433 -10.303 -7.662 1.378 1.00 0.00 S ATOM 845 CE MET A 433 -10.781 -8.518 -0.119 1.00 0.00 C ATOM 0 H MET A 433 -9.541 -11.891 0.862 1.00 0.00 H new ATOM 0 HA MET A 433 -8.303 -11.041 3.365 1.00 0.00 H new ATOM 0 HB2 MET A 433 -10.814 -10.364 1.843 1.00 0.00 H new ATOM 0 HB3 MET A 433 -10.625 -9.885 3.518 1.00 0.00 H new ATOM 0 HG2 MET A 433 -8.781 -8.476 3.038 1.00 0.00 H new ATOM 0 HG3 MET A 433 -8.492 -9.226 1.481 1.00 0.00 H new ATOM 0 HE1 MET A 433 -10.677 -7.846 -0.971 1.00 0.00 H new ATOM 0 HE2 MET A 433 -10.139 -9.387 -0.262 1.00 0.00 H new ATOM 0 HE3 MET A 433 -11.818 -8.843 -0.037 1.00 0.00 H new ATOM 855 N PHE A 434 -10.636 -13.292 3.096 1.00 0.00 N ATOM 856 CA PHE A 434 -11.390 -14.331 3.773 1.00 0.00 C ATOM 857 C PHE A 434 -10.434 -15.326 4.427 1.00 0.00 C ATOM 858 O PHE A 434 -10.676 -15.806 5.532 1.00 0.00 O ATOM 859 CB PHE A 434 -12.316 -15.031 2.772 1.00 0.00 C ATOM 860 CG PHE A 434 -13.589 -14.279 2.500 1.00 0.00 C ATOM 861 CD1 PHE A 434 -14.118 -13.412 3.444 1.00 0.00 C ATOM 862 CD2 PHE A 434 -14.255 -14.438 1.295 1.00 0.00 C ATOM 863 CE1 PHE A 434 -15.288 -12.719 3.190 1.00 0.00 C ATOM 864 CE2 PHE A 434 -15.425 -13.748 1.036 1.00 0.00 C ATOM 865 CZ PHE A 434 -15.941 -12.888 1.985 1.00 0.00 C ATOM 0 H PHE A 434 -10.673 -13.350 2.078 1.00 0.00 H new ATOM 0 HA PHE A 434 -12.004 -13.886 4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -11.781 -15.173 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -12.564 -16.022 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -13.611 -13.276 4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -13.855 -15.109 0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -15.690 -12.047 3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -15.934 -13.882 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 434 -16.855 -12.348 1.785 1.00 0.00 H new ATOM 875 N GLU A 435 -9.336 -15.610 3.736 1.00 0.00 N ATOM 876 CA GLU A 435 -8.309 -16.516 4.235 1.00 0.00 C ATOM 877 C GLU A 435 -7.246 -15.709 4.970 1.00 0.00 C ATOM 878 O GLU A 435 -6.071 -16.068 4.980 1.00 0.00 O ATOM 879 CB GLU A 435 -7.663 -17.286 3.074 1.00 0.00 C ATOM 880 CG GLU A 435 -8.613 -18.220 2.338 1.00 0.00 C ATOM 881 CD GLU A 435 -8.433 -18.176 0.829 1.00 0.00 C ATOM 882 OE1 GLU A 435 -7.288 -17.993 0.357 1.00 0.00 O ATOM 883 OE2 GLU A 435 -9.442 -18.318 0.108 1.00 0.00 O ATOM 0 H GLU A 435 -9.133 -15.219 2.816 1.00 0.00 H new ATOM 0 HA GLU A 435 -8.766 -17.234 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -7.252 -16.570 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -6.826 -17.868 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -8.456 -19.240 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -9.641 -17.953 2.584 1.00 0.00 H new ATOM 890 N ASP A 436 -7.672 -14.604 5.570 1.00 0.00 N ATOM 891 CA ASP A 436 -6.770 -13.719 6.295 1.00 0.00 C ATOM 892 C ASP A 436 -7.360 -13.359 7.656 1.00 0.00 C ATOM 893 O ASP A 436 -7.019 -12.339 8.251 1.00 0.00 O ATOM 894 CB ASP A 436 -6.529 -12.451 5.470 1.00 0.00 C ATOM 895 CG ASP A 436 -5.250 -11.728 5.842 1.00 0.00 C ATOM 896 OD1 ASP A 436 -4.169 -12.354 5.777 1.00 0.00 O ATOM 897 OD2 ASP A 436 -5.323 -10.524 6.167 1.00 0.00 O ATOM 0 H ASP A 436 -8.645 -14.298 5.568 1.00 0.00 H new ATOM 0 HA ASP A 436 -5.821 -14.229 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -6.495 -12.715 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -7.373 -11.774 5.603 1.00 0.00 H new ATOM 1036 N GLU B 7 6.171 -6.621 -12.364 1.00 0.00 N ATOM 1037 CA GLU B 7 5.275 -5.528 -12.697 1.00 0.00 C ATOM 1038 C GLU B 7 5.626 -4.278 -11.895 1.00 0.00 C ATOM 1039 O GLU B 7 5.077 -4.061 -10.822 1.00 0.00 O ATOM 1040 CB GLU B 7 3.801 -5.901 -12.425 1.00 0.00 C ATOM 1041 CG GLU B 7 3.567 -7.360 -12.051 1.00 0.00 C ATOM 1042 CD GLU B 7 2.272 -7.580 -11.273 1.00 0.00 C ATOM 1043 OE1 GLU B 7 1.180 -7.424 -11.856 1.00 0.00 O ATOM 1044 OE2 GLU B 7 2.344 -7.923 -10.071 1.00 0.00 O ATOM 0 HA GLU B 7 5.398 -5.328 -13.761 1.00 0.00 H new ATOM 0 HB2 GLU B 7 3.424 -5.270 -11.620 1.00 0.00 H new ATOM 0 HB3 GLU B 7 3.213 -5.670 -13.313 1.00 0.00 H new ATOM 0 HG2 GLU B 7 3.545 -7.962 -12.959 1.00 0.00 H new ATOM 0 HG3 GLU B 7 4.407 -7.715 -11.454 1.00 0.00 H new ATOM 1051 N VAL B 8 6.581 -3.481 -12.376 1.00 0.00 N ATOM 1052 CA VAL B 8 6.910 -2.241 -11.685 1.00 0.00 C ATOM 1053 C VAL B 8 5.713 -1.329 -11.794 1.00 0.00 C ATOM 1054 O VAL B 8 5.320 -0.911 -12.883 1.00 0.00 O ATOM 1055 CB VAL B 8 8.166 -1.553 -12.219 1.00 0.00 C ATOM 1056 CG1 VAL B 8 8.234 -0.121 -11.708 1.00 0.00 C ATOM 1057 CG2 VAL B 8 9.378 -2.333 -11.761 1.00 0.00 C ATOM 0 H VAL B 8 7.125 -3.667 -13.218 1.00 0.00 H new ATOM 0 HA VAL B 8 7.139 -2.477 -10.646 1.00 0.00 H new ATOM 0 HB VAL B 8 8.139 -1.525 -13.308 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.132 0.361 -12.094 1.00 0.00 H new ATOM 0 HG12 VAL B 8 7.355 0.428 -12.045 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.264 -0.125 -10.618 1.00 0.00 H new ATOM 0 HG21 VAL B 8 10.282 -1.853 -12.135 1.00 0.00 H new ATOM 0 HG22 VAL B 8 9.404 -2.358 -10.672 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.322 -3.351 -12.146 1.00 0.00 H new ATOM 1067 N LEU B 9 5.140 -1.047 -10.657 1.00 0.00 N ATOM 1068 CA LEU B 9 3.936 -0.263 -10.578 1.00 0.00 C ATOM 1069 C LEU B 9 4.210 1.222 -10.560 1.00 0.00 C ATOM 1070 O LEU B 9 3.699 1.965 -11.394 1.00 0.00 O ATOM 1071 CB LEU B 9 3.178 -0.686 -9.322 1.00 0.00 C ATOM 1072 CG LEU B 9 3.381 -2.156 -8.960 1.00 0.00 C ATOM 1073 CD1 LEU B 9 3.279 -2.392 -7.472 1.00 0.00 C ATOM 1074 CD2 LEU B 9 2.387 -3.021 -9.695 1.00 0.00 C ATOM 0 H LEU B 9 5.496 -1.356 -9.753 1.00 0.00 H new ATOM 0 HA LEU B 9 3.339 -0.448 -11.471 1.00 0.00 H new ATOM 0 HB2 LEU B 9 3.500 -0.065 -8.486 1.00 0.00 H new ATOM 0 HB3 LEU B 9 2.114 -0.498 -9.468 1.00 0.00 H new ATOM 0 HG LEU B 9 4.390 -2.429 -9.267 1.00 0.00 H new ATOM 0 HD11 LEU B 9 3.430 -3.451 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU B 9 4.041 -1.807 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU B 9 2.292 -2.089 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.545 -4.065 -9.426 1.00 0.00 H new ATOM 0 HD22 LEU B 9 1.374 -2.725 -9.421 1.00 0.00 H new ATOM 0 HD23 LEU B 9 2.523 -2.898 -10.770 1.00 0.00 H new ATOM 1086 N LEU B 10 5.012 1.658 -9.617 1.00 0.00 N ATOM 1087 CA LEU B 10 5.292 3.071 -9.507 1.00 0.00 C ATOM 1088 C LEU B 10 6.719 3.366 -9.073 1.00 0.00 C ATOM 1089 O LEU B 10 7.201 2.846 -8.067 1.00 0.00 O ATOM 1090 CB LEU B 10 4.320 3.677 -8.513 1.00 0.00 C ATOM 1091 CG LEU B 10 4.049 5.166 -8.675 1.00 0.00 C ATOM 1092 CD1 LEU B 10 3.211 5.426 -9.916 1.00 0.00 C ATOM 1093 CD2 LEU B 10 3.355 5.696 -7.434 1.00 0.00 C ATOM 0 H LEU B 10 5.475 1.067 -8.926 1.00 0.00 H new ATOM 0 HA LEU B 10 5.173 3.511 -10.497 1.00 0.00 H new ATOM 0 HB2 LEU B 10 3.372 3.144 -8.589 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.703 3.504 -7.507 1.00 0.00 H new ATOM 0 HG LEU B 10 4.997 5.689 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.028 6.496 -10.014 1.00 0.00 H new ATOM 0 HD12 LEU B 10 3.744 5.067 -10.797 1.00 0.00 H new ATOM 0 HD13 LEU B 10 2.259 4.902 -9.829 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.162 6.762 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.411 5.170 -7.292 1.00 0.00 H new ATOM 0 HD23 LEU B 10 3.993 5.537 -6.565 1.00 0.00 H new ATOM 1105 N ILE B 11 7.382 4.191 -9.862 1.00 0.00 N ATOM 1106 CA ILE B 11 8.731 4.639 -9.570 1.00 0.00 C ATOM 1107 C ILE B 11 8.666 6.082 -9.101 1.00 0.00 C ATOM 1108 O ILE B 11 8.513 6.995 -9.913 1.00 0.00 O ATOM 1109 CB ILE B 11 9.642 4.560 -10.812 1.00 0.00 C ATOM 1110 CG1 ILE B 11 9.788 3.112 -11.279 1.00 0.00 C ATOM 1111 CG2 ILE B 11 11.001 5.177 -10.515 1.00 0.00 C ATOM 1112 CD1 ILE B 11 10.538 2.970 -12.583 1.00 0.00 C ATOM 0 H ILE B 11 6.998 4.571 -10.727 1.00 0.00 H new ATOM 0 HA ILE B 11 9.151 3.989 -8.802 1.00 0.00 H new ATOM 0 HB ILE B 11 9.180 5.130 -11.619 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.305 2.541 -10.508 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.796 2.673 -11.390 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.631 5.113 -11.402 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.873 6.223 -10.236 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.474 4.638 -9.694 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.603 1.916 -12.852 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.010 3.513 -13.367 1.00 0.00 H new ATOM 0 HD13 ILE B 11 11.542 3.379 -12.471 1.00 0.00 H new ATOM 1124 N VAL B 12 8.750 6.301 -7.802 1.00 0.00 N ATOM 1125 CA VAL B 12 8.677 7.645 -7.284 1.00 0.00 C ATOM 1126 C VAL B 12 10.048 8.129 -6.869 1.00 0.00 C ATOM 1127 O VAL B 12 10.828 7.375 -6.303 1.00 0.00 O ATOM 1128 CB VAL B 12 7.728 7.735 -6.078 1.00 0.00 C ATOM 1129 CG1 VAL B 12 7.254 9.162 -5.881 1.00 0.00 C ATOM 1130 CG2 VAL B 12 6.549 6.793 -6.247 1.00 0.00 C ATOM 0 H VAL B 12 8.867 5.573 -7.098 1.00 0.00 H new ATOM 0 HA VAL B 12 8.289 8.277 -8.083 1.00 0.00 H new ATOM 0 HB VAL B 12 8.277 7.430 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.583 9.207 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.113 9.810 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.725 9.496 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.891 6.874 -5.381 1.00 0.00 H new ATOM 0 HG22 VAL B 12 5.997 7.059 -7.148 1.00 0.00 H new ATOM 0 HG23 VAL B 12 6.911 5.769 -6.333 1.00 0.00 H new ATOM 1140 N LYS B 13 10.342 9.374 -7.172 1.00 0.00 N ATOM 1141 CA LYS B 13 11.612 9.971 -6.804 1.00 0.00 C ATOM 1142 C LYS B 13 11.366 11.067 -5.786 1.00 0.00 C ATOM 1143 O LYS B 13 10.219 11.429 -5.535 1.00 0.00 O ATOM 1144 CB LYS B 13 12.355 10.510 -8.022 1.00 0.00 C ATOM 1145 CG LYS B 13 12.523 9.481 -9.120 1.00 0.00 C ATOM 1146 CD LYS B 13 13.421 8.330 -8.688 1.00 0.00 C ATOM 1147 CE LYS B 13 14.817 8.450 -9.280 1.00 0.00 C ATOM 1148 NZ LYS B 13 15.831 7.731 -8.461 1.00 0.00 N ATOM 0 H LYS B 13 9.714 10.000 -7.677 1.00 0.00 H new ATOM 0 HA LYS B 13 12.248 9.203 -6.364 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.815 11.370 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS B 13 13.338 10.866 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.546 9.092 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS B 13 12.946 9.959 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.488 8.310 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.975 7.385 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.817 8.048 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS B 13 15.091 9.502 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 16.719 8.272 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.482 7.629 -7.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 16.001 6.789 -8.868 1.00 0.00 H new ATOM 1162 N LYS B 14 12.443 11.574 -5.195 1.00 0.00 N ATOM 1163 CA LYS B 14 12.363 12.604 -4.161 1.00 0.00 C ATOM 1164 C LYS B 14 11.684 12.054 -2.902 1.00 0.00 C ATOM 1165 O LYS B 14 11.302 12.807 -2.001 1.00 0.00 O ATOM 1166 CB LYS B 14 11.605 13.813 -4.690 1.00 0.00 C ATOM 1167 CG LYS B 14 12.473 14.872 -5.349 1.00 0.00 C ATOM 1168 CD LYS B 14 11.695 16.166 -5.537 1.00 0.00 C ATOM 1169 CE LYS B 14 12.277 17.026 -6.646 1.00 0.00 C ATOM 1170 NZ LYS B 14 11.303 18.050 -7.118 1.00 0.00 N ATOM 0 H LYS B 14 13.395 11.284 -5.418 1.00 0.00 H new ATOM 0 HA LYS B 14 13.374 12.911 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS B 14 10.863 13.471 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS B 14 11.060 14.272 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS B 14 13.355 15.058 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS B 14 12.826 14.511 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS B 14 10.655 15.933 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS B 14 11.697 16.729 -4.603 1.00 0.00 H new ATOM 0 HE2 LYS B 14 13.180 17.520 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS B 14 12.572 16.392 -7.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 11.650 18.479 -7.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 10.382 17.599 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 11.196 18.788 -6.393 1.00 0.00 H new ATOM 1184 N VAL B 15 11.549 10.735 -2.852 1.00 0.00 N ATOM 1185 CA VAL B 15 10.924 10.057 -1.722 1.00 0.00 C ATOM 1186 C VAL B 15 11.897 10.005 -0.548 1.00 0.00 C ATOM 1187 O VAL B 15 12.806 9.186 -0.525 1.00 0.00 O ATOM 1188 CB VAL B 15 10.485 8.623 -2.108 1.00 0.00 C ATOM 1189 CG1 VAL B 15 9.550 8.030 -1.074 1.00 0.00 C ATOM 1190 CG2 VAL B 15 9.814 8.626 -3.464 1.00 0.00 C ATOM 0 H VAL B 15 11.868 10.107 -3.590 1.00 0.00 H new ATOM 0 HA VAL B 15 10.036 10.619 -1.433 1.00 0.00 H new ATOM 0 HB VAL B 15 11.381 8.004 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL B 15 9.263 7.023 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL B 15 10.055 7.987 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.659 8.652 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.511 7.611 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL B 15 8.936 9.271 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.512 8.998 -4.214 1.00 0.00 H new ATOM 1200 N ARG B 16 11.705 10.887 0.419 1.00 0.00 N ATOM 1201 CA ARG B 16 12.590 10.962 1.574 1.00 0.00 C ATOM 1202 C ARG B 16 12.140 10.033 2.695 1.00 0.00 C ATOM 1203 O ARG B 16 11.204 10.335 3.419 1.00 0.00 O ATOM 1204 CB ARG B 16 12.655 12.403 2.095 1.00 0.00 C ATOM 1205 CG ARG B 16 12.876 13.438 1.003 1.00 0.00 C ATOM 1206 CD ARG B 16 13.300 14.780 1.579 1.00 0.00 C ATOM 1207 NE ARG B 16 14.731 14.817 1.884 1.00 0.00 N ATOM 1208 CZ ARG B 16 15.240 15.049 3.091 1.00 0.00 C ATOM 1209 NH1 ARG B 16 14.440 15.288 4.127 1.00 0.00 N ATOM 1210 NH2 ARG B 16 16.555 15.044 3.257 1.00 0.00 N ATOM 0 H ARG B 16 10.942 11.564 0.429 1.00 0.00 H new ATOM 0 HA ARG B 16 13.580 10.642 1.249 1.00 0.00 H new ATOM 0 HB2 ARG B 16 11.727 12.633 2.619 1.00 0.00 H new ATOM 0 HB3 ARG B 16 13.461 12.480 2.825 1.00 0.00 H new ATOM 0 HG2 ARG B 16 13.639 13.081 0.312 1.00 0.00 H new ATOM 0 HG3 ARG B 16 11.958 13.562 0.428 1.00 0.00 H new ATOM 0 HD2 ARG B 16 13.060 15.572 0.869 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.730 14.982 2.486 1.00 0.00 H new ATOM 0 HE ARG B 16 15.384 14.653 1.117 1.00 0.00 H new ATOM 0 HH11 ARG B 16 13.428 15.294 3.999 1.00 0.00 H new ATOM 0 HH12 ARG B 16 14.839 15.465 5.049 1.00 0.00 H new ATOM 0 HH21 ARG B 16 17.169 14.863 2.463 1.00 0.00 H new ATOM 0 HH22 ARG B 16 16.953 15.221 4.179 1.00 0.00 H new ATOM 1224 N GLN B 17 12.813 8.907 2.839 1.00 0.00 N ATOM 1225 CA GLN B 17 12.488 7.961 3.898 1.00 0.00 C ATOM 1226 C GLN B 17 13.422 8.201 5.068 1.00 0.00 C ATOM 1227 O GLN B 17 14.640 8.213 4.886 1.00 0.00 O ATOM 1228 CB GLN B 17 12.615 6.518 3.405 1.00 0.00 C ATOM 1229 CG GLN B 17 12.301 5.473 4.467 1.00 0.00 C ATOM 1230 CD GLN B 17 13.533 4.989 5.209 1.00 0.00 C ATOM 1231 OE1 GLN B 17 13.472 4.671 6.393 1.00 0.00 O ATOM 1232 NE2 GLN B 17 14.660 4.925 4.518 1.00 0.00 N ATOM 0 H GLN B 17 13.587 8.622 2.239 1.00 0.00 H new ATOM 0 HA GLN B 17 11.454 8.113 4.209 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.945 6.374 2.558 1.00 0.00 H new ATOM 0 HB3 GLN B 17 13.629 6.357 3.040 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.594 5.892 5.183 1.00 0.00 H new ATOM 0 HG3 GLN B 17 11.810 4.621 3.996 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.672 5.198 3.535 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.517 4.603 4.968 1.00 0.00 H new ATOM 1241 N LYS B 18 12.852 8.409 6.252 1.00 0.00 N ATOM 1242 CA LYS B 18 13.640 8.667 7.453 1.00 0.00 C ATOM 1243 C LYS B 18 14.464 9.937 7.252 1.00 0.00 C ATOM 1244 O LYS B 18 15.617 10.027 7.677 1.00 0.00 O ATOM 1245 CB LYS B 18 14.554 7.476 7.768 1.00 0.00 C ATOM 1246 CG LYS B 18 14.773 7.242 9.253 1.00 0.00 C ATOM 1247 CD LYS B 18 13.685 6.360 9.850 1.00 0.00 C ATOM 1248 CE LYS B 18 14.001 6.000 11.290 1.00 0.00 C ATOM 1249 NZ LYS B 18 13.046 5.003 11.853 1.00 0.00 N ATOM 0 H LYS B 18 11.844 8.404 6.405 1.00 0.00 H new ATOM 0 HA LYS B 18 12.967 8.804 8.300 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.125 6.576 7.328 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.520 7.636 7.289 1.00 0.00 H new ATOM 0 HG2 LYS B 18 15.746 6.776 9.408 1.00 0.00 H new ATOM 0 HG3 LYS B 18 14.792 8.200 9.774 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.727 6.878 9.803 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.585 5.450 9.258 1.00 0.00 H new ATOM 0 HE2 LYS B 18 15.014 5.601 11.347 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.980 6.903 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.305 4.791 12.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.082 5.392 11.825 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.084 4.130 11.290 1.00 0.00 H new ATOM 1263 N LYS B 19 13.839 10.910 6.588 1.00 0.00 N ATOM 1264 CA LYS B 19 14.458 12.198 6.280 1.00 0.00 C ATOM 1265 C LYS B 19 15.634 12.056 5.306 1.00 0.00 C ATOM 1266 O LYS B 19 16.488 12.940 5.227 1.00 0.00 O ATOM 1267 CB LYS B 19 14.902 12.910 7.562 1.00 0.00 C ATOM 1268 CG LYS B 19 13.739 13.440 8.389 1.00 0.00 C ATOM 1269 CD LYS B 19 14.195 13.916 9.757 1.00 0.00 C ATOM 1270 CE LYS B 19 14.576 12.751 10.654 1.00 0.00 C ATOM 1271 NZ LYS B 19 15.166 13.216 11.934 1.00 0.00 N ATOM 0 H LYS B 19 12.882 10.825 6.247 1.00 0.00 H new ATOM 0 HA LYS B 19 13.700 12.807 5.787 1.00 0.00 H new ATOM 0 HB2 LYS B 19 15.486 12.219 8.170 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.560 13.738 7.300 1.00 0.00 H new ATOM 0 HG2 LYS B 19 13.260 14.263 7.858 1.00 0.00 H new ATOM 0 HG3 LYS B 19 12.990 12.657 8.507 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.049 14.584 9.645 1.00 0.00 H new ATOM 0 HD3 LYS B 19 13.398 14.493 10.227 1.00 0.00 H new ATOM 0 HE2 LYS B 19 13.693 12.145 10.859 1.00 0.00 H new ATOM 0 HE3 LYS B 19 15.289 12.110 10.136 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 15.414 12.394 12.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 16.022 13.773 11.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.476 13.807 12.440 1.00 0.00 H new ATOM 1285 N GLN B 20 15.665 10.956 4.559 1.00 0.00 N ATOM 1286 CA GLN B 20 16.711 10.714 3.574 1.00 0.00 C ATOM 1287 C GLN B 20 16.079 10.668 2.186 1.00 0.00 C ATOM 1288 O GLN B 20 15.299 9.765 1.885 1.00 0.00 O ATOM 1289 CB GLN B 20 17.438 9.403 3.895 1.00 0.00 C ATOM 1290 CG GLN B 20 18.337 8.889 2.781 1.00 0.00 C ATOM 1291 CD GLN B 20 18.884 7.503 3.076 1.00 0.00 C ATOM 1292 OE1 GLN B 20 19.942 7.118 2.582 1.00 0.00 O ATOM 1293 NE2 GLN B 20 18.165 6.742 3.889 1.00 0.00 N ATOM 0 H GLN B 20 14.970 10.212 4.620 1.00 0.00 H new ATOM 0 HA GLN B 20 17.446 11.518 3.601 1.00 0.00 H new ATOM 0 HB2 GLN B 20 18.040 9.547 4.793 1.00 0.00 H new ATOM 0 HB3 GLN B 20 16.696 8.639 4.127 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.776 8.865 1.847 1.00 0.00 H new ATOM 0 HG3 GLN B 20 19.166 9.582 2.637 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.292 7.096 4.280 1.00 0.00 H new ATOM 0 HE22 GLN B 20 18.485 5.802 4.124 1.00 0.00 H new ATOM 1302 N ASP B 21 16.396 11.653 1.358 1.00 0.00 N ATOM 1303 CA ASP B 21 15.830 11.748 0.012 1.00 0.00 C ATOM 1304 C ASP B 21 16.290 10.620 -0.900 1.00 0.00 C ATOM 1305 O ASP B 21 17.482 10.410 -1.118 1.00 0.00 O ATOM 1306 CB ASP B 21 16.154 13.103 -0.632 1.00 0.00 C ATOM 1307 CG ASP B 21 17.464 13.694 -0.150 1.00 0.00 C ATOM 1308 OD1 ASP B 21 17.493 14.203 0.993 1.00 0.00 O ATOM 1309 OD2 ASP B 21 18.448 13.659 -0.905 1.00 0.00 O ATOM 0 H ASP B 21 17.045 12.404 1.593 1.00 0.00 H new ATOM 0 HA ASP B 21 14.750 11.656 0.131 1.00 0.00 H new ATOM 0 HB2 ASP B 21 16.193 12.984 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP B 21 15.346 13.803 -0.417 1.00 0.00 H new ATOM 1314 N GLY B 22 15.320 9.876 -1.405 1.00 0.00 N ATOM 1315 CA GLY B 22 15.593 8.799 -2.306 1.00 0.00 C ATOM 1316 C GLY B 22 14.495 8.589 -3.327 1.00 0.00 C ATOM 1317 O GLY B 22 14.008 9.535 -3.944 1.00 0.00 O ATOM 0 H GLY B 22 14.331 10.010 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.531 8.996 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.731 7.881 -1.735 1.00 0.00 H new ATOM 1321 N ALA B 23 14.093 7.344 -3.470 1.00 0.00 N ATOM 1322 CA ALA B 23 13.086 6.944 -4.420 1.00 0.00 C ATOM 1323 C ALA B 23 12.302 5.764 -3.882 1.00 0.00 C ATOM 1324 O ALA B 23 12.866 4.884 -3.232 1.00 0.00 O ATOM 1325 CB ALA B 23 13.753 6.563 -5.726 1.00 0.00 C ATOM 0 H ALA B 23 14.465 6.571 -2.918 1.00 0.00 H new ATOM 0 HA ALA B 23 12.400 7.774 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA B 23 12.994 6.260 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA B 23 14.303 7.419 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA B 23 14.442 5.736 -5.555 1.00 0.00 H new ATOM 1331 N LEU B 24 11.015 5.735 -4.163 1.00 0.00 N ATOM 1332 CA LEU B 24 10.170 4.661 -3.695 1.00 0.00 C ATOM 1333 C LEU B 24 9.687 3.861 -4.902 1.00 0.00 C ATOM 1334 O LEU B 24 8.971 4.379 -5.759 1.00 0.00 O ATOM 1335 CB LEU B 24 8.986 5.224 -2.913 1.00 0.00 C ATOM 1336 CG LEU B 24 8.482 4.344 -1.768 1.00 0.00 C ATOM 1337 CD1 LEU B 24 7.016 4.608 -1.493 1.00 0.00 C ATOM 1338 CD2 LEU B 24 8.718 2.874 -2.049 1.00 0.00 C ATOM 0 H LEU B 24 10.533 6.445 -4.714 1.00 0.00 H new ATOM 0 HA LEU B 24 10.732 4.009 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.269 6.195 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.163 5.397 -3.606 1.00 0.00 H new ATOM 0 HG LEU B 24 9.053 4.605 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.679 3.971 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU B 24 6.880 5.654 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.433 4.389 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU B 24 8.347 2.280 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.191 2.588 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.786 2.695 -2.176 1.00 0.00 H new ATOM 1350 N TYR B 25 10.103 2.614 -4.968 1.00 0.00 N ATOM 1351 CA TYR B 25 9.742 1.738 -6.074 1.00 0.00 C ATOM 1352 C TYR B 25 8.708 0.693 -5.681 1.00 0.00 C ATOM 1353 O TYR B 25 8.993 -0.202 -4.884 1.00 0.00 O ATOM 1354 CB TYR B 25 10.978 0.990 -6.569 1.00 0.00 C ATOM 1355 CG TYR B 25 11.798 1.709 -7.604 1.00 0.00 C ATOM 1356 CD1 TYR B 25 12.433 2.904 -7.310 1.00 0.00 C ATOM 1357 CD2 TYR B 25 11.958 1.171 -8.870 1.00 0.00 C ATOM 1358 CE1 TYR B 25 13.203 3.548 -8.253 1.00 0.00 C ATOM 1359 CE2 TYR B 25 12.731 1.801 -9.819 1.00 0.00 C ATOM 1360 CZ TYR B 25 13.354 2.993 -9.508 1.00 0.00 C ATOM 1361 OH TYR B 25 14.129 3.630 -10.451 1.00 0.00 O ATOM 0 H TYR B 25 10.697 2.177 -4.264 1.00 0.00 H new ATOM 0 HA TYR B 25 9.321 2.380 -6.848 1.00 0.00 H new ATOM 0 HB2 TYR B 25 11.616 0.771 -5.713 1.00 0.00 H new ATOM 0 HB3 TYR B 25 10.661 0.033 -6.983 1.00 0.00 H new ATOM 0 HD1 TYR B 25 12.323 3.337 -6.327 1.00 0.00 H new ATOM 0 HD2 TYR B 25 11.468 0.241 -9.117 1.00 0.00 H new ATOM 0 HE1 TYR B 25 13.687 4.483 -8.012 1.00 0.00 H new ATOM 0 HE2 TYR B 25 12.849 1.366 -10.800 1.00 0.00 H new ATOM 0 HH TYR B 25 14.836 4.140 -10.003 1.00 0.00 H new ATOM 1371 N LEU B 26 7.510 0.796 -6.232 1.00 0.00 N ATOM 1372 CA LEU B 26 6.494 -0.210 -5.976 1.00 0.00 C ATOM 1373 C LEU B 26 6.619 -1.254 -7.055 1.00 0.00 C ATOM 1374 O LEU B 26 6.319 -0.975 -8.216 1.00 0.00 O ATOM 1375 CB LEU B 26 5.066 0.338 -6.024 1.00 0.00 C ATOM 1376 CG LEU B 26 4.851 1.710 -5.420 1.00 0.00 C ATOM 1377 CD1 LEU B 26 3.455 2.209 -5.747 1.00 0.00 C ATOM 1378 CD2 LEU B 26 5.035 1.675 -3.921 1.00 0.00 C ATOM 0 H LEU B 26 7.220 1.554 -6.850 1.00 0.00 H new ATOM 0 HA LEU B 26 6.658 -0.599 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.747 0.369 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU B 26 4.412 -0.367 -5.511 1.00 0.00 H new ATOM 0 HG LEU B 26 5.591 2.387 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.310 3.196 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.335 2.271 -6.829 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.717 1.518 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU B 26 4.875 2.672 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.316 0.983 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU B 26 6.047 1.344 -3.686 1.00 0.00 H new ATOM 1390 N MET B 27 7.091 -2.429 -6.714 1.00 0.00 N ATOM 1391 CA MET B 27 7.222 -3.465 -7.709 1.00 0.00 C ATOM 1392 C MET B 27 6.127 -4.486 -7.567 1.00 0.00 C ATOM 1393 O MET B 27 5.368 -4.455 -6.597 1.00 0.00 O ATOM 1394 CB MET B 27 8.593 -4.137 -7.669 1.00 0.00 C ATOM 1395 CG MET B 27 9.619 -3.482 -8.572 1.00 0.00 C ATOM 1396 SD MET B 27 11.278 -3.534 -7.880 1.00 0.00 S ATOM 1397 CE MET B 27 11.088 -2.346 -6.561 1.00 0.00 C ATOM 0 H MET B 27 7.386 -2.689 -5.773 1.00 0.00 H new ATOM 0 HA MET B 27 7.127 -2.984 -8.682 1.00 0.00 H new ATOM 0 HB2 MET B 27 8.964 -4.125 -6.644 1.00 0.00 H new ATOM 0 HB3 MET B 27 8.484 -5.183 -7.956 1.00 0.00 H new ATOM 0 HG2 MET B 27 9.617 -3.981 -9.541 1.00 0.00 H new ATOM 0 HG3 MET B 27 9.334 -2.445 -8.748 1.00 0.00 H new ATOM 0 HE1 MET B 27 11.920 -1.642 -6.583 1.00 0.00 H new ATOM 0 HE2 MET B 27 10.151 -1.805 -6.691 1.00 0.00 H new ATOM 0 HE3 MET B 27 11.077 -2.865 -5.603 1.00 0.00 H new ATOM 1407 N ALA B 28 6.140 -5.434 -8.491 1.00 0.00 N ATOM 1408 CA ALA B 28 5.113 -6.454 -8.605 1.00 0.00 C ATOM 1409 C ALA B 28 4.591 -6.962 -7.268 1.00 0.00 C ATOM 1410 O ALA B 28 3.400 -6.867 -6.991 1.00 0.00 O ATOM 1411 CB ALA B 28 5.647 -7.617 -9.404 1.00 0.00 C ATOM 0 H ALA B 28 6.876 -5.516 -9.193 1.00 0.00 H new ATOM 0 HA ALA B 28 4.269 -5.982 -9.107 1.00 0.00 H new ATOM 0 HB1 ALA B 28 4.877 -8.383 -9.490 1.00 0.00 H new ATOM 0 HB2 ALA B 28 5.931 -7.275 -10.399 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.519 -8.034 -8.901 1.00 0.00 H new ATOM 1417 N GLU B 29 5.482 -7.462 -6.426 1.00 0.00 N ATOM 1418 CA GLU B 29 5.077 -7.976 -5.125 1.00 0.00 C ATOM 1419 C GLU B 29 6.002 -7.475 -4.038 1.00 0.00 C ATOM 1420 O GLU B 29 6.003 -7.993 -2.919 1.00 0.00 O ATOM 1421 CB GLU B 29 5.054 -9.509 -5.110 1.00 0.00 C ATOM 1422 CG GLU B 29 5.947 -10.167 -6.146 1.00 0.00 C ATOM 1423 CD GLU B 29 6.481 -11.509 -5.685 1.00 0.00 C ATOM 1424 OE1 GLU B 29 5.685 -12.338 -5.189 1.00 0.00 O ATOM 1425 OE2 GLU B 29 7.706 -11.735 -5.813 1.00 0.00 O ATOM 0 H GLU B 29 6.482 -7.523 -6.617 1.00 0.00 H new ATOM 0 HA GLU B 29 4.068 -7.612 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU B 29 5.354 -9.854 -4.120 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.029 -9.845 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU B 29 5.387 -10.301 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU B 29 6.783 -9.506 -6.373 1.00 0.00 H new ATOM 1432 N ARG B 30 6.761 -6.439 -4.340 1.00 0.00 N ATOM 1433 CA ARG B 30 7.697 -5.918 -3.366 1.00 0.00 C ATOM 1434 C ARG B 30 7.847 -4.415 -3.492 1.00 0.00 C ATOM 1435 O ARG B 30 7.901 -3.868 -4.588 1.00 0.00 O ATOM 1436 CB ARG B 30 9.062 -6.611 -3.505 1.00 0.00 C ATOM 1437 CG ARG B 30 9.904 -6.117 -4.672 1.00 0.00 C ATOM 1438 CD ARG B 30 10.732 -7.241 -5.274 1.00 0.00 C ATOM 1439 NE ARG B 30 10.016 -7.932 -6.344 1.00 0.00 N ATOM 1440 CZ ARG B 30 9.439 -9.125 -6.220 1.00 0.00 C ATOM 1441 NH1 ARG B 30 9.462 -9.779 -5.067 1.00 0.00 N ATOM 1442 NH2 ARG B 30 8.827 -9.666 -7.260 1.00 0.00 N ATOM 0 H ARG B 30 6.749 -5.950 -5.235 1.00 0.00 H new ATOM 0 HA ARG B 30 7.298 -6.130 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG B 30 9.624 -6.468 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG B 30 8.901 -7.683 -3.617 1.00 0.00 H new ATOM 0 HG2 ARG B 30 9.254 -5.692 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG B 30 10.564 -5.318 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG B 30 11.665 -6.835 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG B 30 10.997 -7.955 -4.494 1.00 0.00 H new ATOM 0 HE ARG B 30 9.954 -7.467 -7.250 1.00 0.00 H new ATOM 0 HH11 ARG B 30 9.927 -9.369 -4.257 1.00 0.00 H new ATOM 0 HH12 ARG B 30 9.015 -10.692 -4.990 1.00 0.00 H new ATOM 0 HH21 ARG B 30 8.799 -9.169 -8.150 1.00 0.00 H new ATOM 0 HH22 ARG B 30 8.383 -10.580 -7.172 1.00 0.00 H new ATOM 1456 N ILE B 31 7.886 -3.758 -2.358 1.00 0.00 N ATOM 1457 CA ILE B 31 8.060 -2.327 -2.308 1.00 0.00 C ATOM 1458 C ILE B 31 9.486 -2.049 -1.857 1.00 0.00 C ATOM 1459 O ILE B 31 9.875 -2.384 -0.736 1.00 0.00 O ATOM 1460 CB ILE B 31 7.029 -1.659 -1.367 1.00 0.00 C ATOM 1461 CG1 ILE B 31 7.399 -0.197 -1.114 1.00 0.00 C ATOM 1462 CG2 ILE B 31 6.911 -2.431 -0.058 1.00 0.00 C ATOM 1463 CD1 ILE B 31 6.225 0.663 -0.700 1.00 0.00 C ATOM 0 H ILE B 31 7.798 -4.201 -1.443 1.00 0.00 H new ATOM 0 HA ILE B 31 7.889 -1.898 -3.295 1.00 0.00 H new ATOM 0 HB ILE B 31 6.055 -1.680 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE B 31 8.162 -0.153 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE B 31 7.842 0.219 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.181 -1.943 0.588 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.588 -3.451 -0.265 1.00 0.00 H new ATOM 0 HG23 ILE B 31 7.880 -2.452 0.441 1.00 0.00 H new ATOM 0 HD11 ILE B 31 6.563 1.687 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE B 31 5.470 0.650 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE B 31 5.795 0.272 0.222 1.00 0.00 H new ATOM 1475 N ALA B 32 10.278 -1.484 -2.743 1.00 0.00 N ATOM 1476 CA ALA B 32 11.666 -1.218 -2.430 1.00 0.00 C ATOM 1477 C ALA B 32 12.004 0.253 -2.579 1.00 0.00 C ATOM 1478 O ALA B 32 11.689 0.883 -3.582 1.00 0.00 O ATOM 1479 CB ALA B 32 12.572 -2.069 -3.301 1.00 0.00 C ATOM 0 H ALA B 32 9.988 -1.202 -3.679 1.00 0.00 H new ATOM 0 HA ALA B 32 11.830 -1.483 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA B 32 13.613 -1.860 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA B 32 12.362 -3.124 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA B 32 12.392 -1.835 -4.350 1.00 0.00 H new ATOM 1485 N TRP B 33 12.644 0.788 -1.563 1.00 0.00 N ATOM 1486 CA TRP B 33 13.043 2.176 -1.547 1.00 0.00 C ATOM 1487 C TRP B 33 14.564 2.280 -1.560 1.00 0.00 C ATOM 1488 O TRP B 33 15.260 1.421 -1.008 1.00 0.00 O ATOM 1489 CB TRP B 33 12.462 2.846 -0.292 1.00 0.00 C ATOM 1490 CG TRP B 33 12.836 4.293 -0.110 1.00 0.00 C ATOM 1491 CD1 TRP B 33 12.038 5.382 -0.305 1.00 0.00 C ATOM 1492 CD2 TRP B 33 14.104 4.805 0.313 1.00 0.00 C ATOM 1493 NE1 TRP B 33 12.736 6.532 -0.026 1.00 0.00 N ATOM 1494 CE2 TRP B 33 14.004 6.201 0.352 1.00 0.00 C ATOM 1495 CE3 TRP B 33 15.313 4.211 0.657 1.00 0.00 C ATOM 1496 CZ2 TRP B 33 15.068 7.012 0.727 1.00 0.00 C ATOM 1497 CZ3 TRP B 33 16.369 5.005 1.017 1.00 0.00 C ATOM 1498 CH2 TRP B 33 16.244 6.402 1.053 1.00 0.00 C ATOM 0 H TRP B 33 12.903 0.271 -0.723 1.00 0.00 H new ATOM 0 HA TRP B 33 12.661 2.684 -2.433 1.00 0.00 H new ATOM 0 HB2 TRP B 33 11.375 2.769 -0.328 1.00 0.00 H new ATOM 0 HB3 TRP B 33 12.792 2.288 0.585 1.00 0.00 H new ATOM 0 HD1 TRP B 33 11.009 5.346 -0.631 1.00 0.00 H new ATOM 0 HE1 TRP B 33 12.366 7.480 -0.091 1.00 0.00 H new ATOM 0 HE3 TRP B 33 15.418 3.136 0.641 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 14.968 8.087 0.759 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 17.313 4.549 1.277 1.00 0.00 H new ATOM 0 HH2 TRP B 33 17.092 7.004 1.343 1.00 0.00 H new ATOM 1509 N ALA B 34 15.071 3.327 -2.188 1.00 0.00 N ATOM 1510 CA ALA B 34 16.502 3.582 -2.249 1.00 0.00 C ATOM 1511 C ALA B 34 16.748 5.078 -2.285 1.00 0.00 C ATOM 1512 O ALA B 34 15.912 5.799 -2.780 1.00 0.00 O ATOM 1513 CB ALA B 34 17.098 2.948 -3.464 1.00 0.00 C ATOM 0 H ALA B 34 14.504 4.024 -2.670 1.00 0.00 H new ATOM 0 HA ALA B 34 16.972 3.152 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA B 34 18.169 3.150 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA B 34 16.933 1.871 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA B 34 16.628 3.360 -4.357 1.00 0.00 H new ATOM 1519 N PRO B 35 17.875 5.578 -1.763 1.00 0.00 N ATOM 1520 CA PRO B 35 18.154 7.020 -1.774 1.00 0.00 C ATOM 1521 C PRO B 35 18.515 7.514 -3.173 1.00 0.00 C ATOM 1522 O PRO B 35 18.895 6.721 -4.045 1.00 0.00 O ATOM 1523 CB PRO B 35 19.350 7.151 -0.831 1.00 0.00 C ATOM 1524 CG PRO B 35 20.040 5.831 -0.916 1.00 0.00 C ATOM 1525 CD PRO B 35 18.960 4.806 -1.135 1.00 0.00 C ATOM 0 HA PRO B 35 17.293 7.615 -1.471 1.00 0.00 H new ATOM 0 HB2 PRO B 35 20.009 7.964 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO B 35 19.030 7.366 0.188 1.00 0.00 H new ATOM 0 HG2 PRO B 35 20.759 5.820 -1.735 1.00 0.00 H new ATOM 0 HG3 PRO B 35 20.595 5.622 -0.001 1.00 0.00 H new ATOM 0 HD2 PRO B 35 19.301 3.995 -1.779 1.00 0.00 H new ATOM 0 HD3 PRO B 35 18.640 4.354 -0.196 1.00 0.00 H new ATOM 1533 N GLU B 36 18.403 8.819 -3.380 1.00 0.00 N ATOM 1534 CA GLU B 36 18.697 9.408 -4.673 1.00 0.00 C ATOM 1535 C GLU B 36 20.185 9.314 -4.963 1.00 0.00 C ATOM 1536 O GLU B 36 21.011 9.285 -4.049 1.00 0.00 O ATOM 1537 CB GLU B 36 18.217 10.859 -4.733 1.00 0.00 C ATOM 1538 CG GLU B 36 17.833 11.308 -6.136 1.00 0.00 C ATOM 1539 CD GLU B 36 17.072 10.240 -6.902 1.00 0.00 C ATOM 1540 OE1 GLU B 36 17.723 9.397 -7.560 1.00 0.00 O ATOM 1541 OE2 GLU B 36 15.825 10.233 -6.850 1.00 0.00 O ATOM 0 H GLU B 36 18.110 9.487 -2.667 1.00 0.00 H new ATOM 0 HA GLU B 36 18.160 8.850 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU B 36 17.358 10.978 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU B 36 19.004 11.511 -4.353 1.00 0.00 H new ATOM 0 HG2 GLU B 36 17.222 12.208 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU B 36 18.734 11.573 -6.688 1.00 0.00 H new ATOM 1548 N GLY B 37 20.521 9.229 -6.236 1.00 0.00 N ATOM 1549 CA GLY B 37 21.908 9.106 -6.630 1.00 0.00 C ATOM 1550 C GLY B 37 22.313 7.652 -6.708 1.00 0.00 C ATOM 1551 O GLY B 37 23.055 7.245 -7.599 1.00 0.00 O ATOM 0 H GLY B 37 19.856 9.243 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.060 9.584 -7.598 1.00 0.00 H new ATOM 0 HA3 GLY B 37 22.543 9.628 -5.914 1.00 0.00 H new ATOM 1555 N LYS B 38 21.815 6.869 -5.758 1.00 0.00 N ATOM 1556 CA LYS B 38 22.083 5.444 -5.718 1.00 0.00 C ATOM 1557 C LYS B 38 21.061 4.724 -6.586 1.00 0.00 C ATOM 1558 O LYS B 38 21.419 3.904 -7.432 1.00 0.00 O ATOM 1559 CB LYS B 38 22.011 4.924 -4.275 1.00 0.00 C ATOM 1560 CG LYS B 38 22.397 3.459 -4.125 1.00 0.00 C ATOM 1561 CD LYS B 38 21.987 2.911 -2.765 1.00 0.00 C ATOM 1562 CE LYS B 38 22.434 1.468 -2.580 1.00 0.00 C ATOM 1563 NZ LYS B 38 21.364 0.622 -1.979 1.00 0.00 N ATOM 0 H LYS B 38 21.219 7.205 -5.001 1.00 0.00 H new ATOM 0 HA LYS B 38 23.087 5.254 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS B 38 22.668 5.528 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS B 38 20.997 5.062 -3.900 1.00 0.00 H new ATOM 0 HG2 LYS B 38 21.922 2.874 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS B 38 23.474 3.350 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS B 38 22.419 3.529 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS B 38 20.904 2.973 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS B 38 22.725 1.053 -3.545 1.00 0.00 H new ATOM 0 HE3 LYS B 38 23.318 1.442 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 21.771 -0.283 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 20.950 1.114 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 20.623 0.444 -2.687 1.00 0.00 H new ATOM 1577 N ASP B 39 19.781 5.037 -6.339 1.00 0.00 N ATOM 1578 CA ASP B 39 18.635 4.469 -7.072 1.00 0.00 C ATOM 1579 C ASP B 39 18.455 2.971 -6.807 1.00 0.00 C ATOM 1580 O ASP B 39 17.336 2.460 -6.821 1.00 0.00 O ATOM 1581 CB ASP B 39 18.747 4.731 -8.576 1.00 0.00 C ATOM 1582 CG ASP B 39 17.444 4.450 -9.301 1.00 0.00 C ATOM 1583 OD1 ASP B 39 16.554 5.331 -9.300 1.00 0.00 O ATOM 1584 OD2 ASP B 39 17.305 3.347 -9.866 1.00 0.00 O ATOM 0 H ASP B 39 19.506 5.701 -5.615 1.00 0.00 H new ATOM 0 HA ASP B 39 17.749 4.979 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP B 39 19.038 5.768 -8.743 1.00 0.00 H new ATOM 0 HB3 ASP B 39 19.537 4.107 -8.995 1.00 0.00 H new ATOM 1589 N ARG B 40 19.550 2.270 -6.558 1.00 0.00 N ATOM 1590 CA ARG B 40 19.491 0.849 -6.281 1.00 0.00 C ATOM 1591 C ARG B 40 18.997 0.637 -4.865 1.00 0.00 C ATOM 1592 O ARG B 40 19.597 1.119 -3.906 1.00 0.00 O ATOM 1593 CB ARG B 40 20.852 0.197 -6.496 1.00 0.00 C ATOM 1594 CG ARG B 40 21.383 0.371 -7.911 1.00 0.00 C ATOM 1595 CD ARG B 40 20.487 -0.303 -8.948 1.00 0.00 C ATOM 1596 NE ARG B 40 19.302 0.497 -9.278 1.00 0.00 N ATOM 1597 CZ ARG B 40 18.121 -0.019 -9.627 1.00 0.00 C ATOM 1598 NH1 ARG B 40 17.958 -1.338 -9.690 1.00 0.00 N ATOM 1599 NH2 ARG B 40 17.102 0.783 -9.913 1.00 0.00 N ATOM 0 H ARG B 40 20.490 2.665 -6.543 1.00 0.00 H new ATOM 0 HA ARG B 40 18.794 0.375 -6.972 1.00 0.00 H new ATOM 0 HB2 ARG B 40 21.567 0.623 -5.792 1.00 0.00 H new ATOM 0 HB3 ARG B 40 20.778 -0.867 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG B 40 21.464 1.434 -8.139 1.00 0.00 H new ATOM 0 HG3 ARG B 40 22.388 -0.047 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG B 40 21.062 -0.485 -9.856 1.00 0.00 H new ATOM 0 HD3 ARG B 40 20.170 -1.276 -8.571 1.00 0.00 H new ATOM 0 HE ARG B 40 19.386 1.513 -9.238 1.00 0.00 H new ATOM 0 HH11 ARG B 40 18.737 -1.959 -9.471 1.00 0.00 H new ATOM 0 HH12 ARG B 40 17.054 -1.728 -9.957 1.00 0.00 H new ATOM 0 HH21 ARG B 40 17.221 1.795 -9.866 1.00 0.00 H new ATOM 0 HH22 ARG B 40 16.201 0.387 -10.179 1.00 0.00 H new ATOM 1613 N PHE B 41 17.890 -0.076 -4.779 1.00 0.00 N ATOM 1614 CA PHE B 41 17.176 -0.366 -3.537 1.00 0.00 C ATOM 1615 C PHE B 41 18.054 -0.572 -2.303 1.00 0.00 C ATOM 1616 O PHE B 41 19.131 -1.172 -2.353 1.00 0.00 O ATOM 1617 CB PHE B 41 16.281 -1.580 -3.747 1.00 0.00 C ATOM 1618 CG PHE B 41 15.647 -1.593 -5.108 1.00 0.00 C ATOM 1619 CD1 PHE B 41 14.857 -0.534 -5.523 1.00 0.00 C ATOM 1620 CD2 PHE B 41 15.862 -2.647 -5.979 1.00 0.00 C ATOM 1621 CE1 PHE B 41 14.287 -0.528 -6.777 1.00 0.00 C ATOM 1622 CE2 PHE B 41 15.296 -2.645 -7.238 1.00 0.00 C ATOM 1623 CZ PHE B 41 14.507 -1.584 -7.639 1.00 0.00 C ATOM 0 H PHE B 41 17.442 -0.487 -5.598 1.00 0.00 H new ATOM 0 HA PHE B 41 16.596 0.530 -3.317 1.00 0.00 H new ATOM 0 HB2 PHE B 41 16.868 -2.489 -3.614 1.00 0.00 H new ATOM 0 HB3 PHE B 41 15.501 -1.590 -2.985 1.00 0.00 H new ATOM 0 HD1 PHE B 41 14.686 0.297 -4.855 1.00 0.00 H new ATOM 0 HD2 PHE B 41 16.478 -3.479 -5.671 1.00 0.00 H new ATOM 0 HE1 PHE B 41 13.669 0.302 -7.086 1.00 0.00 H new ATOM 0 HE2 PHE B 41 15.470 -3.473 -7.910 1.00 0.00 H new ATOM 0 HZ PHE B 41 14.064 -1.581 -8.624 1.00 0.00 H new ATOM 1633 N THR B 42 17.557 -0.035 -1.198 1.00 0.00 N ATOM 1634 CA THR B 42 18.197 -0.128 0.101 1.00 0.00 C ATOM 1635 C THR B 42 17.235 -0.809 1.079 1.00 0.00 C ATOM 1636 O THR B 42 17.637 -1.612 1.918 1.00 0.00 O ATOM 1637 CB THR B 42 18.587 1.280 0.622 1.00 0.00 C ATOM 1638 OG1 THR B 42 19.764 1.754 -0.054 1.00 0.00 O ATOM 1639 CG2 THR B 42 18.836 1.281 2.124 1.00 0.00 C ATOM 0 H THR B 42 16.681 0.487 -1.182 1.00 0.00 H new ATOM 0 HA THR B 42 19.110 -0.717 0.013 1.00 0.00 H new ATOM 0 HB THR B 42 17.747 1.943 0.415 1.00 0.00 H new ATOM 0 HG1 THR B 42 19.999 2.644 0.283 1.00 0.00 H new ATOM 0 HG21 THR B 42 19.106 2.286 2.447 1.00 0.00 H new ATOM 0 HG22 THR B 42 17.931 0.964 2.643 1.00 0.00 H new ATOM 0 HG23 THR B 42 19.649 0.594 2.359 1.00 0.00 H new ATOM 1647 N ILE B 43 15.956 -0.487 0.934 1.00 0.00 N ATOM 1648 CA ILE B 43 14.909 -1.054 1.770 1.00 0.00 C ATOM 1649 C ILE B 43 13.989 -1.921 0.915 1.00 0.00 C ATOM 1650 O ILE B 43 13.514 -1.477 -0.127 1.00 0.00 O ATOM 1651 CB ILE B 43 14.094 0.064 2.467 1.00 0.00 C ATOM 1652 CG1 ILE B 43 14.742 0.440 3.801 1.00 0.00 C ATOM 1653 CG2 ILE B 43 12.640 -0.349 2.675 1.00 0.00 C ATOM 1654 CD1 ILE B 43 13.985 1.508 4.560 1.00 0.00 C ATOM 0 H ILE B 43 15.617 0.173 0.235 1.00 0.00 H new ATOM 0 HA ILE B 43 15.371 -1.667 2.543 1.00 0.00 H new ATOM 0 HB ILE B 43 14.098 0.937 1.814 1.00 0.00 H new ATOM 0 HG12 ILE B 43 14.818 -0.452 4.423 1.00 0.00 H new ATOM 0 HG13 ILE B 43 15.758 0.788 3.617 1.00 0.00 H new ATOM 0 HG21 ILE B 43 12.099 0.460 3.166 1.00 0.00 H new ATOM 0 HG22 ILE B 43 12.180 -0.559 1.710 1.00 0.00 H new ATOM 0 HG23 ILE B 43 12.601 -1.243 3.298 1.00 0.00 H new ATOM 0 HD11 ILE B 43 14.501 1.725 5.495 1.00 0.00 H new ATOM 0 HD12 ILE B 43 13.931 2.414 3.957 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.976 1.155 4.775 1.00 0.00 H new ATOM 1666 N SER B 44 13.775 -3.161 1.330 1.00 0.00 N ATOM 1667 CA SER B 44 12.922 -4.075 0.586 1.00 0.00 C ATOM 1668 C SER B 44 11.858 -4.700 1.475 1.00 0.00 C ATOM 1669 O SER B 44 12.169 -5.369 2.460 1.00 0.00 O ATOM 1670 CB SER B 44 13.767 -5.165 -0.072 1.00 0.00 C ATOM 1671 OG SER B 44 14.808 -4.598 -0.847 1.00 0.00 O ATOM 0 H SER B 44 14.180 -3.557 2.178 1.00 0.00 H new ATOM 0 HA SER B 44 12.412 -3.499 -0.186 1.00 0.00 H new ATOM 0 HB2 SER B 44 14.191 -5.814 0.694 1.00 0.00 H new ATOM 0 HB3 SER B 44 13.135 -5.788 -0.705 1.00 0.00 H new ATOM 0 HG SER B 44 15.337 -5.313 -1.257 1.00 0.00 H new ATOM 1677 N HIS B 45 10.607 -4.460 1.125 1.00 0.00 N ATOM 1678 CA HIS B 45 9.478 -5.018 1.843 1.00 0.00 C ATOM 1679 C HIS B 45 8.577 -5.689 0.842 1.00 0.00 C ATOM 1680 O HIS B 45 8.521 -5.292 -0.320 1.00 0.00 O ATOM 1681 CB HIS B 45 8.694 -3.944 2.610 1.00 0.00 C ATOM 1682 CG HIS B 45 9.491 -3.225 3.653 1.00 0.00 C ATOM 1683 ND1 HIS B 45 10.116 -3.844 4.712 1.00 0.00 N ATOM 1684 CD2 HIS B 45 9.763 -1.904 3.778 1.00 0.00 C ATOM 1685 CE1 HIS B 45 10.738 -2.900 5.430 1.00 0.00 C ATOM 1686 NE2 HIS B 45 10.555 -1.704 4.903 1.00 0.00 N ATOM 0 H HIS B 45 10.346 -3.872 0.334 1.00 0.00 H new ATOM 0 HA HIS B 45 9.847 -5.731 2.581 1.00 0.00 H new ATOM 0 HB2 HIS B 45 8.308 -3.215 1.898 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.832 -4.411 3.086 1.00 0.00 H new ATOM 0 HD1 HIS B 45 10.107 -4.844 4.914 1.00 0.00 H new ATOM 0 HD2 HIS B 45 9.419 -1.129 3.109 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.314 -3.092 6.323 1.00 0.00 H new ATOM 1694 N MET B 46 7.899 -6.714 1.267 1.00 0.00 N ATOM 1695 CA MET B 46 7.002 -7.423 0.390 1.00 0.00 C ATOM 1696 C MET B 46 5.574 -7.192 0.830 1.00 0.00 C ATOM 1697 O MET B 46 5.285 -7.173 2.019 1.00 0.00 O ATOM 1698 CB MET B 46 7.331 -8.913 0.379 1.00 0.00 C ATOM 1699 CG MET B 46 8.444 -9.280 -0.589 1.00 0.00 C ATOM 1700 SD MET B 46 8.329 -10.981 -1.178 1.00 0.00 S ATOM 1701 CE MET B 46 6.774 -10.926 -2.064 1.00 0.00 C ATOM 0 H MET B 46 7.947 -7.082 2.217 1.00 0.00 H new ATOM 0 HA MET B 46 7.123 -7.046 -0.625 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.618 -9.221 1.384 1.00 0.00 H new ATOM 0 HB3 MET B 46 6.433 -9.473 0.118 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.415 -8.603 -1.442 1.00 0.00 H new ATOM 0 HG3 MET B 46 9.407 -9.135 -0.100 1.00 0.00 H new ATOM 0 HE1 MET B 46 6.194 -11.821 -1.837 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.213 -10.043 -1.759 1.00 0.00 H new ATOM 0 HE3 MET B 46 6.967 -10.881 -3.136 1.00 0.00 H new ATOM 1711 N TYR B 47 4.683 -7.018 -0.135 1.00 0.00 N ATOM 1712 CA TYR B 47 3.260 -6.787 0.154 1.00 0.00 C ATOM 1713 C TYR B 47 2.692 -7.921 1.017 1.00 0.00 C ATOM 1714 O TYR B 47 1.613 -7.814 1.591 1.00 0.00 O ATOM 1715 CB TYR B 47 2.446 -6.692 -1.146 1.00 0.00 C ATOM 1716 CG TYR B 47 2.741 -5.474 -1.995 1.00 0.00 C ATOM 1717 CD1 TYR B 47 4.012 -5.245 -2.505 1.00 0.00 C ATOM 1718 CD2 TYR B 47 1.740 -4.560 -2.301 1.00 0.00 C ATOM 1719 CE1 TYR B 47 4.280 -4.144 -3.289 1.00 0.00 C ATOM 1720 CE2 TYR B 47 2.002 -3.453 -3.086 1.00 0.00 C ATOM 1721 CZ TYR B 47 3.275 -3.252 -3.576 1.00 0.00 C ATOM 1722 OH TYR B 47 3.543 -2.156 -4.359 1.00 0.00 O ATOM 0 H TYR B 47 4.913 -7.031 -1.129 1.00 0.00 H new ATOM 0 HA TYR B 47 3.183 -5.844 0.696 1.00 0.00 H new ATOM 0 HB2 TYR B 47 2.634 -7.586 -1.741 1.00 0.00 H new ATOM 0 HB3 TYR B 47 1.385 -6.693 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR B 47 4.806 -5.943 -2.283 1.00 0.00 H new ATOM 0 HD2 TYR B 47 0.742 -4.717 -1.920 1.00 0.00 H new ATOM 0 HE1 TYR B 47 5.275 -3.983 -3.676 1.00 0.00 H new ATOM 0 HE2 TYR B 47 1.215 -2.750 -3.314 1.00 0.00 H new ATOM 0 HH TYR B 47 2.727 -1.625 -4.469 1.00 0.00 H new ATOM 1732 N ALA B 48 3.441 -9.010 1.069 1.00 0.00 N ATOM 1733 CA ALA B 48 3.084 -10.190 1.828 1.00 0.00 C ATOM 1734 C ALA B 48 3.339 -10.029 3.326 1.00 0.00 C ATOM 1735 O ALA B 48 2.643 -10.638 4.140 1.00 0.00 O ATOM 1736 CB ALA B 48 3.858 -11.385 1.287 1.00 0.00 C ATOM 0 H ALA B 48 4.329 -9.097 0.575 1.00 0.00 H new ATOM 0 HA ALA B 48 2.012 -10.348 1.711 1.00 0.00 H new ATOM 0 HB1 ALA B 48 3.593 -12.277 1.855 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.608 -11.536 0.237 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.928 -11.199 1.382 1.00 0.00 H new ATOM 1742 N ASP B 49 4.325 -9.219 3.692 1.00 0.00 N ATOM 1743 CA ASP B 49 4.650 -9.022 5.101 1.00 0.00 C ATOM 1744 C ASP B 49 4.070 -7.721 5.623 1.00 0.00 C ATOM 1745 O ASP B 49 4.017 -7.504 6.834 1.00 0.00 O ATOM 1746 CB ASP B 49 6.172 -9.068 5.330 1.00 0.00 C ATOM 1747 CG ASP B 49 6.901 -7.821 4.851 1.00 0.00 C ATOM 1748 OD1 ASP B 49 6.956 -6.832 5.609 1.00 0.00 O ATOM 1749 OD2 ASP B 49 7.438 -7.841 3.720 1.00 0.00 O ATOM 0 H ASP B 49 4.908 -8.693 3.042 1.00 0.00 H new ATOM 0 HA ASP B 49 4.197 -9.841 5.660 1.00 0.00 H new ATOM 0 HB2 ASP B 49 6.366 -9.206 6.394 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.582 -9.938 4.816 1.00 0.00 H new ATOM 1754 N ILE B 50 3.629 -6.859 4.723 1.00 0.00 N ATOM 1755 CA ILE B 50 3.042 -5.599 5.136 1.00 0.00 C ATOM 1756 C ILE B 50 1.631 -5.838 5.661 1.00 0.00 C ATOM 1757 O ILE B 50 0.796 -6.438 4.986 1.00 0.00 O ATOM 1758 CB ILE B 50 3.004 -4.558 4.001 1.00 0.00 C ATOM 1759 CG1 ILE B 50 4.287 -4.612 3.175 1.00 0.00 C ATOM 1760 CG2 ILE B 50 2.830 -3.168 4.588 1.00 0.00 C ATOM 1761 CD1 ILE B 50 4.286 -3.668 1.996 1.00 0.00 C ATOM 0 H ILE B 50 3.666 -7.007 3.714 1.00 0.00 H new ATOM 0 HA ILE B 50 3.676 -5.192 5.923 1.00 0.00 H new ATOM 0 HB ILE B 50 2.162 -4.787 3.348 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.134 -4.375 3.819 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.435 -5.630 2.815 1.00 0.00 H new ATOM 0 HG21 ILE B 50 2.803 -2.434 3.783 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.897 -3.124 5.150 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.665 -2.947 5.253 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.228 -3.760 1.455 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.460 -3.918 1.331 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.170 -2.644 2.350 1.00 0.00 H new ATOM 1773 N LYS B 51 1.384 -5.366 6.871 1.00 0.00 N ATOM 1774 CA LYS B 51 0.099 -5.534 7.526 1.00 0.00 C ATOM 1775 C LYS B 51 -0.904 -4.495 7.043 1.00 0.00 C ATOM 1776 O LYS B 51 -2.017 -4.823 6.637 1.00 0.00 O ATOM 1777 CB LYS B 51 0.280 -5.407 9.041 1.00 0.00 C ATOM 1778 CG LYS B 51 -1.019 -5.463 9.820 1.00 0.00 C ATOM 1779 CD LYS B 51 -1.047 -4.425 10.925 1.00 0.00 C ATOM 1780 CE LYS B 51 -2.446 -4.278 11.490 1.00 0.00 C ATOM 1781 NZ LYS B 51 -2.618 -2.994 12.233 1.00 0.00 N ATOM 0 H LYS B 51 2.070 -4.855 7.427 1.00 0.00 H new ATOM 0 HA LYS B 51 -0.288 -6.522 7.278 1.00 0.00 H new ATOM 0 HB2 LYS B 51 0.935 -6.206 9.387 1.00 0.00 H new ATOM 0 HB3 LYS B 51 0.783 -4.465 9.260 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -1.858 -5.299 9.144 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -1.145 -6.457 10.249 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -0.358 -4.714 11.719 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -0.704 -3.466 10.538 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.172 -4.327 10.678 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -2.657 -5.114 12.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -3.020 -3.188 13.173 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -1.694 -2.529 12.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -3.260 -2.370 11.704 1.00 0.00 H new ATOM 1795 N CYS B 52 -0.500 -3.241 7.108 1.00 0.00 N ATOM 1796 CA CYS B 52 -1.351 -2.138 6.698 1.00 0.00 C ATOM 1797 C CYS B 52 -0.487 -0.958 6.316 1.00 0.00 C ATOM 1798 O CYS B 52 0.741 -1.051 6.305 1.00 0.00 O ATOM 1799 CB CYS B 52 -2.293 -1.753 7.839 1.00 0.00 C ATOM 1800 SG CYS B 52 -1.464 -1.551 9.429 1.00 0.00 S ATOM 0 H CYS B 52 0.421 -2.958 7.444 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.950 -2.440 5.839 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -2.799 -0.822 7.582 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -3.063 -2.518 7.936 1.00 0.00 H new ATOM 0 HG CYS B 52 -2.352 -1.370 10.361 1.00 0.00 H new ATOM 1806 N GLN B 53 -1.117 0.147 6.003 1.00 0.00 N ATOM 1807 CA GLN B 53 -0.390 1.333 5.628 1.00 0.00 C ATOM 1808 C GLN B 53 -0.808 2.487 6.523 1.00 0.00 C ATOM 1809 O GLN B 53 -1.725 2.356 7.321 1.00 0.00 O ATOM 1810 CB GLN B 53 -0.648 1.675 4.163 1.00 0.00 C ATOM 1811 CG GLN B 53 -0.626 0.470 3.237 1.00 0.00 C ATOM 1812 CD GLN B 53 -1.748 0.509 2.221 1.00 0.00 C ATOM 1813 OE1 GLN B 53 -1.629 1.157 1.187 1.00 0.00 O ATOM 1814 NE2 GLN B 53 -2.847 -0.186 2.504 1.00 0.00 N ATOM 0 H GLN B 53 -2.132 0.249 6.001 1.00 0.00 H new ATOM 0 HA GLN B 53 0.678 1.152 5.752 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.617 2.167 4.080 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.103 2.391 3.829 1.00 0.00 H new ATOM 0 HG2 GLN B 53 0.331 0.431 2.717 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.705 -0.442 3.828 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.907 -0.713 3.375 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.629 -0.192 1.849 1.00 0.00 H new ATOM 1823 N LYS B 54 -0.113 3.593 6.407 1.00 0.00 N ATOM 1824 CA LYS B 54 -0.407 4.791 7.162 1.00 0.00 C ATOM 1825 C LYS B 54 -0.106 5.977 6.273 1.00 0.00 C ATOM 1826 O LYS B 54 0.875 5.959 5.540 1.00 0.00 O ATOM 1827 CB LYS B 54 0.434 4.855 8.431 1.00 0.00 C ATOM 1828 CG LYS B 54 -0.053 3.965 9.553 1.00 0.00 C ATOM 1829 CD LYS B 54 -0.896 4.753 10.528 1.00 0.00 C ATOM 1830 CE LYS B 54 -0.628 4.343 11.964 1.00 0.00 C ATOM 1831 NZ LYS B 54 0.700 4.830 12.443 1.00 0.00 N ATOM 0 H LYS B 54 0.684 3.689 5.777 1.00 0.00 H new ATOM 0 HA LYS B 54 -1.454 4.793 7.466 1.00 0.00 H new ATOM 0 HB2 LYS B 54 1.460 4.580 8.186 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.456 5.886 8.785 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -0.636 3.140 9.143 1.00 0.00 H new ATOM 0 HG3 LYS B 54 0.799 3.526 10.072 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -0.690 5.817 10.409 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -1.951 4.605 10.299 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -1.414 4.739 12.607 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -0.667 3.257 12.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 0.690 4.902 13.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.441 4.162 12.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 0.895 5.765 12.033 1.00 0.00 H new ATOM 1845 N ILE B 55 -0.936 6.997 6.306 1.00 0.00 N ATOM 1846 CA ILE B 55 -0.717 8.145 5.439 1.00 0.00 C ATOM 1847 C ILE B 55 -1.052 9.456 6.104 1.00 0.00 C ATOM 1848 O ILE B 55 -1.970 9.523 6.908 1.00 0.00 O ATOM 1849 CB ILE B 55 -1.602 8.053 4.184 1.00 0.00 C ATOM 1850 CG1 ILE B 55 -3.082 8.072 4.576 1.00 0.00 C ATOM 1851 CG2 ILE B 55 -1.284 6.804 3.405 1.00 0.00 C ATOM 1852 CD1 ILE B 55 -4.013 8.268 3.407 1.00 0.00 C ATOM 0 H ILE B 55 -1.755 7.060 6.910 1.00 0.00 H new ATOM 0 HA ILE B 55 0.344 8.122 5.191 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.397 8.917 3.552 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -3.330 7.134 5.074 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.247 8.870 5.299 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -1.919 6.755 2.521 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.238 6.822 3.100 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.464 5.929 4.030 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -5.044 8.271 3.760 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.793 9.219 2.922 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.876 7.456 2.693 1.00 0.00 H new ATOM 1864 N SER B 56 -0.292 10.484 5.776 1.00 0.00 N ATOM 1865 CA SER B 56 -0.581 11.812 6.268 1.00 0.00 C ATOM 1866 C SER B 56 -1.623 12.387 5.326 1.00 0.00 C ATOM 1867 O SER B 56 -1.305 12.781 4.205 1.00 0.00 O ATOM 1868 CB SER B 56 0.682 12.669 6.287 1.00 0.00 C ATOM 1869 OG SER B 56 1.365 12.604 5.051 1.00 0.00 O ATOM 0 H SER B 56 0.528 10.422 5.172 1.00 0.00 H new ATOM 0 HA SER B 56 -0.950 11.789 7.294 1.00 0.00 H new ATOM 0 HB2 SER B 56 0.419 13.704 6.505 1.00 0.00 H new ATOM 0 HB3 SER B 56 1.341 12.332 7.087 1.00 0.00 H new ATOM 0 HG SER B 56 1.464 13.507 4.684 1.00 0.00 H new ATOM 1875 N PRO B 57 -2.885 12.417 5.746 1.00 0.00 N ATOM 1876 CA PRO B 57 -3.981 12.861 4.897 1.00 0.00 C ATOM 1877 C PRO B 57 -3.880 14.332 4.508 1.00 0.00 C ATOM 1878 O PRO B 57 -3.207 15.123 5.178 1.00 0.00 O ATOM 1879 CB PRO B 57 -5.230 12.572 5.734 1.00 0.00 C ATOM 1880 CG PRO B 57 -4.758 11.661 6.809 1.00 0.00 C ATOM 1881 CD PRO B 57 -3.355 12.074 7.088 1.00 0.00 C ATOM 0 HA PRO B 57 -3.985 12.344 3.937 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -5.651 13.488 6.147 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.011 12.105 5.133 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -5.379 11.750 7.701 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -4.805 10.620 6.491 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -3.304 12.922 7.771 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -2.771 11.270 7.535 1.00 0.00 H new ATOM 1889 N GLU B 58 -4.524 14.660 3.396 1.00 0.00 N ATOM 1890 CA GLU B 58 -4.551 16.009 2.842 1.00 0.00 C ATOM 1891 C GLU B 58 -4.783 17.061 3.925 1.00 0.00 C ATOM 1892 O GLU B 58 -5.863 17.153 4.505 1.00 0.00 O ATOM 1893 CB GLU B 58 -5.638 16.109 1.764 1.00 0.00 C ATOM 1894 CG GLU B 58 -5.499 15.080 0.645 1.00 0.00 C ATOM 1895 CD GLU B 58 -5.986 13.697 1.046 1.00 0.00 C ATOM 1896 OE1 GLU B 58 -7.194 13.428 0.906 1.00 0.00 O ATOM 1897 OE2 GLU B 58 -5.157 12.887 1.527 1.00 0.00 O ATOM 0 H GLU B 58 -5.052 13.985 2.843 1.00 0.00 H new ATOM 0 HA GLU B 58 -3.577 16.207 2.395 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -6.614 15.989 2.234 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -5.614 17.108 1.330 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -6.061 15.419 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -4.453 15.018 0.344 1.00 0.00 H new ATOM 1904 N GLY B 59 -3.746 17.844 4.192 1.00 0.00 N ATOM 1905 CA GLY B 59 -3.826 18.877 5.206 1.00 0.00 C ATOM 1906 C GLY B 59 -2.695 18.762 6.206 1.00 0.00 C ATOM 1907 O GLY B 59 -2.374 19.715 6.911 1.00 0.00 O ATOM 0 H GLY B 59 -2.844 17.781 3.720 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -3.795 19.858 4.731 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -4.781 18.805 5.726 1.00 0.00 H new ATOM 1911 N LYS B 60 -2.077 17.586 6.245 1.00 0.00 N ATOM 1912 CA LYS B 60 -0.969 17.311 7.158 1.00 0.00 C ATOM 1913 C LYS B 60 0.310 18.037 6.735 1.00 0.00 C ATOM 1914 O LYS B 60 1.297 18.039 7.476 1.00 0.00 O ATOM 1915 CB LYS B 60 -0.722 15.799 7.211 1.00 0.00 C ATOM 1916 CG LYS B 60 0.254 15.361 8.289 1.00 0.00 C ATOM 1917 CD LYS B 60 -0.405 15.329 9.652 1.00 0.00 C ATOM 1918 CE LYS B 60 0.570 15.683 10.761 1.00 0.00 C ATOM 1919 NZ LYS B 60 -0.116 16.313 11.921 1.00 0.00 N ATOM 0 H LYS B 60 -2.328 16.798 5.648 1.00 0.00 H new ATOM 0 HA LYS B 60 -1.242 17.680 8.147 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -1.674 15.293 7.372 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -0.346 15.470 6.242 1.00 0.00 H new ATOM 0 HG2 LYS B 60 0.644 14.372 8.049 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.104 16.042 8.310 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -1.241 16.028 9.667 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -0.816 14.336 9.833 1.00 0.00 H new ATOM 0 HE2 LYS B 60 1.088 14.782 11.091 1.00 0.00 H new ATOM 0 HE3 LYS B 60 1.329 16.363 10.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 0.224 15.879 12.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 0.090 17.332 11.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -1.143 16.169 11.838 1.00 0.00 H new ATOM 1933 N ALA B 61 0.278 18.647 5.548 1.00 0.00 N ATOM 1934 CA ALA B 61 1.420 19.379 4.986 1.00 0.00 C ATOM 1935 C ALA B 61 2.513 18.421 4.531 1.00 0.00 C ATOM 1936 O ALA B 61 2.884 18.415 3.364 1.00 0.00 O ATOM 1937 CB ALA B 61 1.971 20.400 5.969 1.00 0.00 C ATOM 0 H ALA B 61 -0.545 18.648 4.945 1.00 0.00 H new ATOM 0 HA ALA B 61 1.059 19.924 4.114 1.00 0.00 H new ATOM 0 HB1 ALA B 61 2.815 20.921 5.517 1.00 0.00 H new ATOM 0 HB2 ALA B 61 1.192 21.120 6.221 1.00 0.00 H new ATOM 0 HB3 ALA B 61 2.301 19.892 6.875 1.00 0.00 H new ATOM 1943 N LYS B 62 3.032 17.628 5.457 1.00 0.00 N ATOM 1944 CA LYS B 62 4.051 16.643 5.132 1.00 0.00 C ATOM 1945 C LYS B 62 3.401 15.506 4.366 1.00 0.00 C ATOM 1946 O LYS B 62 2.346 15.014 4.769 1.00 0.00 O ATOM 1947 CB LYS B 62 4.694 16.077 6.401 1.00 0.00 C ATOM 1948 CG LYS B 62 5.991 16.752 6.812 1.00 0.00 C ATOM 1949 CD LYS B 62 6.578 16.081 8.045 1.00 0.00 C ATOM 1950 CE LYS B 62 7.862 15.327 7.733 1.00 0.00 C ATOM 1951 NZ LYS B 62 8.179 14.327 8.788 1.00 0.00 N ATOM 0 H LYS B 62 2.763 17.648 6.441 1.00 0.00 H new ATOM 0 HA LYS B 62 4.825 17.125 4.535 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.981 16.161 7.221 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.885 15.014 6.252 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.707 16.706 5.991 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.809 17.807 7.018 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.777 16.835 8.807 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.846 15.391 8.464 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.765 14.824 6.771 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.687 16.034 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.969 13.729 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.445 14.820 9.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.344 13.732 8.965 1.00 0.00 H new ATOM 1965 N ILE B 63 3.996 15.096 3.264 1.00 0.00 N ATOM 1966 CA ILE B 63 3.444 14.008 2.493 1.00 0.00 C ATOM 1967 C ILE B 63 4.193 12.731 2.854 1.00 0.00 C ATOM 1968 O ILE B 63 5.178 12.378 2.224 1.00 0.00 O ATOM 1969 CB ILE B 63 3.535 14.288 0.988 1.00 0.00 C ATOM 1970 CG1 ILE B 63 2.654 15.485 0.626 1.00 0.00 C ATOM 1971 CG2 ILE B 63 3.090 13.067 0.207 1.00 0.00 C ATOM 1972 CD1 ILE B 63 3.273 16.843 0.880 1.00 0.00 C ATOM 0 H ILE B 63 4.854 15.498 2.887 1.00 0.00 H new ATOM 0 HA ILE B 63 2.386 13.896 2.731 1.00 0.00 H new ATOM 0 HB ILE B 63 4.570 14.517 0.732 1.00 0.00 H new ATOM 0 HG12 ILE B 63 2.391 15.416 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.725 15.416 1.192 1.00 0.00 H new ATOM 0 HG21 ILE B 63 3.157 13.274 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE B 63 3.733 12.223 0.454 1.00 0.00 H new ATOM 0 HG23 ILE B 63 2.059 12.826 0.465 1.00 0.00 H new ATOM 0 HD11 ILE B 63 2.569 17.623 0.591 1.00 0.00 H new ATOM 0 HD12 ILE B 63 3.510 16.942 1.939 1.00 0.00 H new ATOM 0 HD13 ILE B 63 4.186 16.942 0.293 1.00 0.00 H new ATOM 1984 N GLN B 64 3.739 12.048 3.887 1.00 0.00 N ATOM 1985 CA GLN B 64 4.416 10.850 4.349 1.00 0.00 C ATOM 1986 C GLN B 64 3.503 9.624 4.345 1.00 0.00 C ATOM 1987 O GLN B 64 2.297 9.714 4.587 1.00 0.00 O ATOM 1988 CB GLN B 64 5.003 11.096 5.742 1.00 0.00 C ATOM 1989 CG GLN B 64 4.324 12.234 6.496 1.00 0.00 C ATOM 1990 CD GLN B 64 5.043 12.608 7.776 1.00 0.00 C ATOM 1991 OE1 GLN B 64 6.267 12.606 7.833 1.00 0.00 O ATOM 1992 NE2 GLN B 64 4.284 12.909 8.820 1.00 0.00 N ATOM 0 H GLN B 64 2.907 12.300 4.421 1.00 0.00 H new ATOM 0 HA GLN B 64 5.224 10.632 3.650 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.920 10.181 6.329 1.00 0.00 H new ATOM 0 HB3 GLN B 64 6.066 11.318 5.646 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.268 13.109 5.848 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.300 11.946 6.732 1.00 0.00 H new ATOM 0 HE21 GLN B 64 3.268 12.899 8.732 1.00 0.00 H new ATOM 0 HE22 GLN B 64 4.716 13.150 9.712 1.00 0.00 H new ATOM 2001 N LEU B 65 4.110 8.484 4.047 1.00 0.00 N ATOM 2002 CA LEU B 65 3.424 7.201 3.975 1.00 0.00 C ATOM 2003 C LEU B 65 4.133 6.175 4.859 1.00 0.00 C ATOM 2004 O LEU B 65 5.296 5.871 4.632 1.00 0.00 O ATOM 2005 CB LEU B 65 3.466 6.702 2.535 1.00 0.00 C ATOM 2006 CG LEU B 65 2.597 5.489 2.229 1.00 0.00 C ATOM 2007 CD1 LEU B 65 1.217 5.913 1.745 1.00 0.00 C ATOM 2008 CD2 LEU B 65 3.296 4.600 1.224 1.00 0.00 C ATOM 0 H LEU B 65 5.108 8.423 3.845 1.00 0.00 H new ATOM 0 HA LEU B 65 2.396 7.327 4.314 1.00 0.00 H new ATOM 0 HB2 LEU B 65 3.163 7.518 1.879 1.00 0.00 H new ATOM 0 HB3 LEU B 65 4.498 6.458 2.285 1.00 0.00 H new ATOM 0 HG LEU B 65 2.449 4.918 3.145 1.00 0.00 H new ATOM 0 HD11 LEU B 65 0.618 5.027 1.534 1.00 0.00 H new ATOM 0 HD12 LEU B 65 0.727 6.507 2.517 1.00 0.00 H new ATOM 0 HD13 LEU B 65 1.317 6.508 0.837 1.00 0.00 H new ATOM 0 HD21 LEU B 65 2.671 3.734 1.008 1.00 0.00 H new ATOM 0 HD22 LEU B 65 3.472 5.159 0.305 1.00 0.00 H new ATOM 0 HD23 LEU B 65 4.249 4.266 1.634 1.00 0.00 H new ATOM 2020 N GLN B 66 3.443 5.625 5.839 1.00 0.00 N ATOM 2021 CA GLN B 66 4.051 4.645 6.730 1.00 0.00 C ATOM 2022 C GLN B 66 3.634 3.222 6.373 1.00 0.00 C ATOM 2023 O GLN B 66 2.451 2.916 6.272 1.00 0.00 O ATOM 2024 CB GLN B 66 3.688 4.943 8.178 1.00 0.00 C ATOM 2025 CG GLN B 66 4.155 3.887 9.167 1.00 0.00 C ATOM 2026 CD GLN B 66 3.796 4.240 10.595 1.00 0.00 C ATOM 2027 OE1 GLN B 66 2.771 3.800 11.116 1.00 0.00 O ATOM 2028 NE2 GLN B 66 4.629 5.042 11.232 1.00 0.00 N ATOM 0 H GLN B 66 2.466 5.836 6.041 1.00 0.00 H new ATOM 0 HA GLN B 66 5.131 4.720 6.607 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.119 5.904 8.459 1.00 0.00 H new ATOM 0 HB3 GLN B 66 2.606 5.045 8.256 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.708 2.927 8.909 1.00 0.00 H new ATOM 0 HG3 GLN B 66 5.235 3.768 9.085 1.00 0.00 H new ATOM 0 HE21 GLN B 66 5.467 5.384 10.762 1.00 0.00 H new ATOM 0 HE22 GLN B 66 4.434 5.320 12.194 1.00 0.00 H new ATOM 2037 N LEU B 67 4.616 2.366 6.157 1.00 0.00 N ATOM 2038 CA LEU B 67 4.364 0.969 5.853 1.00 0.00 C ATOM 2039 C LEU B 67 4.369 0.165 7.137 1.00 0.00 C ATOM 2040 O LEU B 67 5.427 -0.084 7.708 1.00 0.00 O ATOM 2041 CB LEU B 67 5.434 0.405 4.921 1.00 0.00 C ATOM 2042 CG LEU B 67 5.327 0.820 3.461 1.00 0.00 C ATOM 2043 CD1 LEU B 67 6.367 0.076 2.642 1.00 0.00 C ATOM 2044 CD2 LEU B 67 3.930 0.546 2.925 1.00 0.00 C ATOM 0 H LEU B 67 5.604 2.617 6.187 1.00 0.00 H new ATOM 0 HA LEU B 67 3.394 0.900 5.360 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.412 0.709 5.295 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.398 -0.683 4.973 1.00 0.00 H new ATOM 0 HG LEU B 67 5.512 1.891 3.384 1.00 0.00 H new ATOM 0 HD11 LEU B 67 6.289 0.375 1.597 1.00 0.00 H new ATOM 0 HD12 LEU B 67 7.363 0.316 3.014 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.197 -0.997 2.726 1.00 0.00 H new ATOM 0 HD21 LEU B 67 3.875 0.850 1.880 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.712 -0.519 3.005 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.200 1.110 3.506 1.00 0.00 H new ATOM 2056 N VAL B 68 3.198 -0.219 7.602 1.00 0.00 N ATOM 2057 CA VAL B 68 3.102 -0.995 8.821 1.00 0.00 C ATOM 2058 C VAL B 68 3.144 -2.473 8.493 1.00 0.00 C ATOM 2059 O VAL B 68 2.180 -3.030 7.978 1.00 0.00 O ATOM 2060 CB VAL B 68 1.823 -0.679 9.606 1.00 0.00 C ATOM 2061 CG1 VAL B 68 1.889 -1.316 10.978 1.00 0.00 C ATOM 2062 CG2 VAL B 68 1.628 0.821 9.723 1.00 0.00 C ATOM 0 H VAL B 68 2.305 -0.008 7.158 1.00 0.00 H new ATOM 0 HA VAL B 68 3.952 -0.726 9.449 1.00 0.00 H new ATOM 0 HB VAL B 68 0.969 -1.092 9.069 1.00 0.00 H new ATOM 0 HG11 VAL B 68 0.977 -1.087 11.530 1.00 0.00 H new ATOM 0 HG12 VAL B 68 1.988 -2.396 10.873 1.00 0.00 H new ATOM 0 HG13 VAL B 68 2.749 -0.924 11.520 1.00 0.00 H new ATOM 0 HG21 VAL B 68 0.716 1.027 10.283 1.00 0.00 H new ATOM 0 HG22 VAL B 68 2.480 1.259 10.243 1.00 0.00 H new ATOM 0 HG23 VAL B 68 1.548 1.256 8.727 1.00 0.00 H new ATOM 2072 N LEU B 69 4.261 -3.104 8.791 1.00 0.00 N ATOM 2073 CA LEU B 69 4.436 -4.512 8.488 1.00 0.00 C ATOM 2074 C LEU B 69 3.983 -5.397 9.642 1.00 0.00 C ATOM 2075 O LEU B 69 3.881 -4.945 10.784 1.00 0.00 O ATOM 2076 CB LEU B 69 5.896 -4.791 8.161 1.00 0.00 C ATOM 2077 CG LEU B 69 6.652 -3.616 7.538 1.00 0.00 C ATOM 2078 CD1 LEU B 69 8.135 -3.889 7.522 1.00 0.00 C ATOM 2079 CD2 LEU B 69 6.162 -3.330 6.134 1.00 0.00 C ATOM 0 H LEU B 69 5.063 -2.665 9.243 1.00 0.00 H new ATOM 0 HA LEU B 69 3.814 -4.749 7.625 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.408 -5.089 9.076 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.945 -5.639 7.478 1.00 0.00 H new ATOM 0 HG LEU B 69 6.460 -2.736 8.152 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.656 -3.042 7.075 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.489 -4.036 8.542 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.333 -4.787 6.937 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.719 -2.490 5.718 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.314 -4.210 5.509 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.101 -3.084 6.162 1.00 0.00 H new ATOM 2091 N HIS B 70 3.727 -6.663 9.333 1.00 0.00 N ATOM 2092 CA HIS B 70 3.287 -7.641 10.328 1.00 0.00 C ATOM 2093 C HIS B 70 4.406 -7.961 11.308 1.00 0.00 C ATOM 2094 O HIS B 70 4.159 -8.436 12.413 1.00 0.00 O ATOM 2095 CB HIS B 70 2.847 -8.942 9.649 1.00 0.00 C ATOM 2096 CG HIS B 70 1.471 -8.897 9.064 1.00 0.00 C ATOM 2097 ND1 HIS B 70 0.329 -8.673 9.802 1.00 0.00 N ATOM 2098 CD2 HIS B 70 1.066 -9.046 7.778 1.00 0.00 C ATOM 2099 CE1 HIS B 70 -0.713 -8.687 8.964 1.00 0.00 C ATOM 2100 NE2 HIS B 70 -0.321 -8.913 7.722 1.00 0.00 N ATOM 0 H HIS B 70 3.817 -7.042 8.390 1.00 0.00 H new ATOM 0 HA HIS B 70 2.446 -7.202 10.866 1.00 0.00 H new ATOM 0 HB2 HIS B 70 3.557 -9.184 8.858 1.00 0.00 H new ATOM 0 HB3 HIS B 70 2.893 -9.752 10.377 1.00 0.00 H new ATOM 0 HD2 HIS B 70 1.713 -9.237 6.934 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.740 -8.534 9.263 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -0.912 -8.977 6.893 1.00 0.00 H new ATOM 2108 N ALA B 71 5.636 -7.697 10.889 1.00 0.00 N ATOM 2109 CA ALA B 71 6.804 -7.975 11.711 1.00 0.00 C ATOM 2110 C ALA B 71 6.904 -7.037 12.910 1.00 0.00 C ATOM 2111 O ALA B 71 7.540 -7.371 13.908 1.00 0.00 O ATOM 2112 CB ALA B 71 8.067 -7.885 10.867 1.00 0.00 C ATOM 0 H ALA B 71 5.851 -7.288 9.979 1.00 0.00 H new ATOM 0 HA ALA B 71 6.695 -8.987 12.101 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.937 -8.094 11.490 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.016 -8.613 10.058 1.00 0.00 H new ATOM 0 HB3 ALA B 71 8.154 -6.883 10.448 1.00 0.00 H new ATOM 2118 N GLY B 72 6.284 -5.866 12.815 1.00 0.00 N ATOM 2119 CA GLY B 72 6.356 -4.921 13.906 1.00 0.00 C ATOM 2120 C GLY B 72 7.336 -3.840 13.556 1.00 0.00 C ATOM 2121 O GLY B 72 8.019 -3.280 14.410 1.00 0.00 O ATOM 0 H GLY B 72 5.739 -5.559 12.009 1.00 0.00 H new ATOM 0 HA2 GLY B 72 5.373 -4.490 14.096 1.00 0.00 H new ATOM 0 HA3 GLY B 72 6.665 -5.426 14.821 1.00 0.00 H new ATOM 2125 N ASP B 73 7.375 -3.555 12.270 1.00 0.00 N ATOM 2126 CA ASP B 73 8.255 -2.573 11.706 1.00 0.00 C ATOM 2127 C ASP B 73 7.414 -1.666 10.862 1.00 0.00 C ATOM 2128 O ASP B 73 6.530 -2.129 10.138 1.00 0.00 O ATOM 2129 CB ASP B 73 9.329 -3.231 10.836 1.00 0.00 C ATOM 2130 CG ASP B 73 10.382 -2.245 10.366 1.00 0.00 C ATOM 2131 OD1 ASP B 73 10.109 -1.493 9.405 1.00 0.00 O ATOM 2132 OD2 ASP B 73 11.481 -2.224 10.957 1.00 0.00 O ATOM 0 H ASP B 73 6.780 -4.014 11.580 1.00 0.00 H new ATOM 0 HA ASP B 73 8.764 -2.026 12.500 1.00 0.00 H new ATOM 0 HB2 ASP B 73 9.810 -4.030 11.401 1.00 0.00 H new ATOM 0 HB3 ASP B 73 8.857 -3.693 9.969 1.00 0.00 H new ATOM 2137 N THR B 74 7.628 -0.395 10.986 1.00 0.00 N ATOM 2138 CA THR B 74 6.872 0.543 10.214 1.00 0.00 C ATOM 2139 C THR B 74 7.823 1.556 9.569 1.00 0.00 C ATOM 2140 O THR B 74 8.533 2.275 10.270 1.00 0.00 O ATOM 2141 CB THR B 74 5.847 1.263 11.102 1.00 0.00 C ATOM 2142 OG1 THR B 74 6.489 1.815 12.258 1.00 0.00 O ATOM 2143 CG2 THR B 74 4.747 0.311 11.539 1.00 0.00 C ATOM 0 H THR B 74 8.318 0.018 11.613 1.00 0.00 H new ATOM 0 HA THR B 74 6.331 0.010 9.432 1.00 0.00 H new ATOM 0 HB THR B 74 5.403 2.068 10.517 1.00 0.00 H new ATOM 0 HG1 THR B 74 7.423 2.021 12.046 1.00 0.00 H new ATOM 0 HG21 THR B 74 4.033 0.844 12.167 1.00 0.00 H new ATOM 0 HG22 THR B 74 4.235 -0.082 10.660 1.00 0.00 H new ATOM 0 HG23 THR B 74 5.182 -0.513 12.104 1.00 0.00 H new ATOM 2151 N THR B 75 7.840 1.609 8.247 1.00 0.00 N ATOM 2152 CA THR B 75 8.719 2.528 7.531 1.00 0.00 C ATOM 2153 C THR B 75 7.921 3.682 6.923 1.00 0.00 C ATOM 2154 O THR B 75 6.998 3.458 6.142 1.00 0.00 O ATOM 2155 CB THR B 75 9.500 1.781 6.428 1.00 0.00 C ATOM 2156 OG1 THR B 75 10.551 1.002 7.014 1.00 0.00 O ATOM 2157 CG2 THR B 75 10.090 2.748 5.412 1.00 0.00 C ATOM 0 H THR B 75 7.256 1.028 7.645 1.00 0.00 H new ATOM 0 HA THR B 75 9.431 2.941 8.246 1.00 0.00 H new ATOM 0 HB THR B 75 8.800 1.126 5.910 1.00 0.00 H new ATOM 0 HG1 THR B 75 10.668 0.174 6.503 1.00 0.00 H new ATOM 0 HG21 THR B 75 10.633 2.189 4.650 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.287 3.316 4.942 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.773 3.433 5.915 1.00 0.00 H new ATOM 2165 N ASN B 76 8.280 4.915 7.272 1.00 0.00 N ATOM 2166 CA ASN B 76 7.559 6.079 6.767 1.00 0.00 C ATOM 2167 C ASN B 76 8.330 6.737 5.620 1.00 0.00 C ATOM 2168 O ASN B 76 9.518 7.039 5.743 1.00 0.00 O ATOM 2169 CB ASN B 76 7.311 7.112 7.882 1.00 0.00 C ATOM 2170 CG ASN B 76 7.193 6.501 9.269 1.00 0.00 C ATOM 2171 OD1 ASN B 76 6.693 5.394 9.441 1.00 0.00 O ATOM 2172 ND2 ASN B 76 7.652 7.230 10.274 1.00 0.00 N ATOM 0 H ASN B 76 9.057 5.132 7.896 1.00 0.00 H new ATOM 0 HA ASN B 76 6.595 5.730 6.397 1.00 0.00 H new ATOM 0 HB2 ASN B 76 8.126 7.836 7.882 1.00 0.00 H new ATOM 0 HB3 ASN B 76 6.397 7.662 7.658 1.00 0.00 H new ATOM 0 HD21 ASN B 76 7.596 6.875 11.229 1.00 0.00 H new ATOM 0 HD22 ASN B 76 8.062 8.147 10.094 1.00 0.00 H new ATOM 2179 N PHE B 77 7.646 6.927 4.502 1.00 0.00 N ATOM 2180 CA PHE B 77 8.223 7.554 3.321 1.00 0.00 C ATOM 2181 C PHE B 77 7.687 8.973 3.175 1.00 0.00 C ATOM 2182 O PHE B 77 6.488 9.166 2.997 1.00 0.00 O ATOM 2183 CB PHE B 77 7.870 6.752 2.066 1.00 0.00 C ATOM 2184 CG PHE B 77 8.403 5.351 2.067 1.00 0.00 C ATOM 2185 CD1 PHE B 77 9.764 5.121 2.092 1.00 0.00 C ATOM 2186 CD2 PHE B 77 7.545 4.264 2.035 1.00 0.00 C ATOM 2187 CE1 PHE B 77 10.264 3.836 2.087 1.00 0.00 C ATOM 2188 CE2 PHE B 77 8.041 2.976 2.028 1.00 0.00 C ATOM 2189 CZ PHE B 77 9.403 2.761 2.054 1.00 0.00 C ATOM 0 H PHE B 77 6.671 6.650 4.387 1.00 0.00 H new ATOM 0 HA PHE B 77 9.307 7.580 3.437 1.00 0.00 H new ATOM 0 HB2 PHE B 77 6.785 6.717 1.963 1.00 0.00 H new ATOM 0 HB3 PHE B 77 8.256 7.276 1.192 1.00 0.00 H new ATOM 0 HD1 PHE B 77 10.446 5.958 2.116 1.00 0.00 H new ATOM 0 HD2 PHE B 77 6.477 4.426 2.015 1.00 0.00 H new ATOM 0 HE1 PHE B 77 11.331 3.672 2.109 1.00 0.00 H new ATOM 0 HE2 PHE B 77 7.362 2.136 2.002 1.00 0.00 H new ATOM 0 HZ PHE B 77 9.793 1.754 2.049 1.00 0.00 H new ATOM 2199 N HIS B 78 8.565 9.955 3.241 1.00 0.00 N ATOM 2200 CA HIS B 78 8.160 11.349 3.129 1.00 0.00 C ATOM 2201 C HIS B 78 8.404 11.869 1.709 1.00 0.00 C ATOM 2202 O HIS B 78 9.524 12.217 1.339 1.00 0.00 O ATOM 2203 CB HIS B 78 8.913 12.199 4.160 1.00 0.00 C ATOM 2204 CG HIS B 78 8.590 13.661 4.106 1.00 0.00 C ATOM 2205 ND1 HIS B 78 9.541 14.651 4.147 1.00 0.00 N ATOM 2206 CD2 HIS B 78 7.394 14.294 4.007 1.00 0.00 C ATOM 2207 CE1 HIS B 78 8.914 15.829 4.072 1.00 0.00 C ATOM 2208 NE2 HIS B 78 7.607 15.669 3.986 1.00 0.00 N ATOM 0 H HIS B 78 9.567 9.816 3.372 1.00 0.00 H new ATOM 0 HA HIS B 78 7.092 11.422 3.334 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.685 11.825 5.158 1.00 0.00 H new ATOM 0 HB3 HIS B 78 9.985 12.069 4.008 1.00 0.00 H new ATOM 0 HD2 HIS B 78 6.431 13.808 3.953 1.00 0.00 H new ATOM 0 HE1 HIS B 78 9.412 16.787 4.081 1.00 0.00 H new ATOM 0 HE2 HIS B 78 6.900 16.401 3.918 1.00 0.00 H new ATOM 2216 N PHE B 79 7.343 11.911 0.924 1.00 0.00 N ATOM 2217 CA PHE B 79 7.408 12.392 -0.448 1.00 0.00 C ATOM 2218 C PHE B 79 7.444 13.912 -0.434 1.00 0.00 C ATOM 2219 O PHE B 79 6.454 14.565 -0.109 1.00 0.00 O ATOM 2220 CB PHE B 79 6.198 11.905 -1.251 1.00 0.00 C ATOM 2221 CG PHE B 79 6.019 10.412 -1.249 1.00 0.00 C ATOM 2222 CD1 PHE B 79 5.520 9.759 -0.133 1.00 0.00 C ATOM 2223 CD2 PHE B 79 6.340 9.665 -2.367 1.00 0.00 C ATOM 2224 CE1 PHE B 79 5.347 8.389 -0.135 1.00 0.00 C ATOM 2225 CE2 PHE B 79 6.168 8.295 -2.375 1.00 0.00 C ATOM 2226 CZ PHE B 79 5.670 7.657 -1.257 1.00 0.00 C ATOM 0 H PHE B 79 6.412 11.614 1.217 1.00 0.00 H new ATOM 0 HA PHE B 79 8.308 12.002 -0.923 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.298 12.368 -0.848 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.298 12.247 -2.281 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.264 10.328 0.748 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.730 10.159 -3.245 1.00 0.00 H new ATOM 0 HE1 PHE B 79 4.959 7.892 0.742 1.00 0.00 H new ATOM 0 HE2 PHE B 79 6.423 7.723 -3.255 1.00 0.00 H new ATOM 0 HZ PHE B 79 5.534 6.586 -1.261 1.00 0.00 H new ATOM 2236 N SER B 80 8.593 14.471 -0.751 1.00 0.00 N ATOM 2237 CA SER B 80 8.765 15.911 -0.742 1.00 0.00 C ATOM 2238 C SER B 80 8.870 16.513 -2.145 1.00 0.00 C ATOM 2239 O SER B 80 9.593 17.490 -2.342 1.00 0.00 O ATOM 2240 CB SER B 80 10.014 16.263 0.066 1.00 0.00 C ATOM 2241 OG SER B 80 10.164 15.381 1.169 1.00 0.00 O ATOM 0 H SER B 80 9.427 13.948 -1.020 1.00 0.00 H new ATOM 0 HA SER B 80 7.874 16.340 -0.284 1.00 0.00 H new ATOM 0 HB2 SER B 80 10.895 16.206 -0.574 1.00 0.00 H new ATOM 0 HB3 SER B 80 9.945 17.291 0.423 1.00 0.00 H new ATOM 0 HG SER B 80 10.752 15.790 1.838 1.00 0.00 H new ATOM 2247 N ASN B 81 8.171 15.949 -3.129 1.00 0.00 N ATOM 2248 CA ASN B 81 8.211 16.514 -4.462 1.00 0.00 C ATOM 2249 C ASN B 81 7.270 17.704 -4.482 1.00 0.00 C ATOM 2250 O ASN B 81 6.061 17.536 -4.470 1.00 0.00 O ATOM 2251 CB ASN B 81 7.788 15.485 -5.505 1.00 0.00 C ATOM 2252 CG ASN B 81 8.465 15.691 -6.845 1.00 0.00 C ATOM 2253 OD1 ASN B 81 8.943 16.781 -7.156 1.00 0.00 O ATOM 2254 ND2 ASN B 81 8.512 14.643 -7.647 1.00 0.00 N ATOM 0 H ASN B 81 7.585 15.120 -3.026 1.00 0.00 H new ATOM 0 HA ASN B 81 9.227 16.822 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN B 81 8.019 14.486 -5.137 1.00 0.00 H new ATOM 0 HB3 ASN B 81 6.707 15.533 -5.638 1.00 0.00 H new ATOM 0 HD21 ASN B 81 8.957 14.720 -8.562 1.00 0.00 H new ATOM 0 HD22 ASN B 81 8.104 13.756 -7.352 1.00 0.00 H new ATOM 2261 N GLU B 82 7.819 18.903 -4.495 1.00 0.00 N ATOM 2262 CA GLU B 82 7.013 20.123 -4.471 1.00 0.00 C ATOM 2263 C GLU B 82 5.919 20.136 -5.546 1.00 0.00 C ATOM 2264 O GLU B 82 4.945 20.881 -5.439 1.00 0.00 O ATOM 2265 CB GLU B 82 7.916 21.358 -4.614 1.00 0.00 C ATOM 2266 CG GLU B 82 8.516 21.551 -6.005 1.00 0.00 C ATOM 2267 CD GLU B 82 9.374 20.383 -6.454 1.00 0.00 C ATOM 2268 OE1 GLU B 82 10.299 19.992 -5.708 1.00 0.00 O ATOM 2269 OE2 GLU B 82 9.114 19.834 -7.544 1.00 0.00 O ATOM 0 H GLU B 82 8.826 19.066 -4.522 1.00 0.00 H new ATOM 0 HA GLU B 82 6.506 20.149 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU B 82 7.338 22.246 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU B 82 8.727 21.284 -3.890 1.00 0.00 H new ATOM 0 HG2 GLU B 82 7.710 21.699 -6.724 1.00 0.00 H new ATOM 0 HG3 GLU B 82 9.119 22.459 -6.011 1.00 0.00 H new ATOM 2276 N SER B 83 6.066 19.303 -6.563 1.00 0.00 N ATOM 2277 CA SER B 83 5.095 19.244 -7.634 1.00 0.00 C ATOM 2278 C SER B 83 4.095 18.085 -7.474 1.00 0.00 C ATOM 2279 O SER B 83 2.911 18.236 -7.799 1.00 0.00 O ATOM 2280 CB SER B 83 5.833 19.130 -8.968 1.00 0.00 C ATOM 2281 OG SER B 83 7.091 18.495 -8.794 1.00 0.00 O ATOM 0 H SER B 83 6.850 18.659 -6.666 1.00 0.00 H new ATOM 0 HA SER B 83 4.507 20.161 -7.601 1.00 0.00 H new ATOM 0 HB2 SER B 83 5.229 18.563 -9.676 1.00 0.00 H new ATOM 0 HB3 SER B 83 5.977 20.122 -9.395 1.00 0.00 H new ATOM 0 HG SER B 83 7.744 19.148 -8.466 1.00 0.00 H new ATOM 2287 N THR B 84 4.546 16.930 -6.982 1.00 0.00 N ATOM 2288 CA THR B 84 3.656 15.774 -6.855 1.00 0.00 C ATOM 2289 C THR B 84 3.618 15.120 -5.480 1.00 0.00 C ATOM 2290 O THR B 84 2.922 14.123 -5.330 1.00 0.00 O ATOM 2291 CB THR B 84 4.072 14.684 -7.840 1.00 0.00 C ATOM 2292 OG1 THR B 84 5.497 14.672 -7.973 1.00 0.00 O ATOM 2293 CG2 THR B 84 3.448 14.917 -9.190 1.00 0.00 C ATOM 0 H THR B 84 5.504 16.770 -6.670 1.00 0.00 H new ATOM 0 HA THR B 84 2.666 16.184 -7.053 1.00 0.00 H new ATOM 0 HB THR B 84 3.728 13.724 -7.455 1.00 0.00 H new ATOM 0 HG1 THR B 84 5.853 13.837 -7.604 1.00 0.00 H new ATOM 0 HG21 THR B 84 3.758 14.128 -9.875 1.00 0.00 H new ATOM 0 HG22 THR B 84 2.362 14.909 -9.095 1.00 0.00 H new ATOM 0 HG23 THR B 84 3.771 15.883 -9.578 1.00 0.00 H new ATOM 2301 N ALA B 85 4.304 15.697 -4.504 1.00 0.00 N ATOM 2302 CA ALA B 85 4.425 15.134 -3.150 1.00 0.00 C ATOM 2303 C ALA B 85 3.201 14.324 -2.722 1.00 0.00 C ATOM 2304 O ALA B 85 3.242 13.094 -2.689 1.00 0.00 O ATOM 2305 CB ALA B 85 4.695 16.261 -2.165 1.00 0.00 C ATOM 0 H ALA B 85 4.801 16.580 -4.623 1.00 0.00 H new ATOM 0 HA ALA B 85 5.259 14.432 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA B 85 4.786 15.851 -1.159 1.00 0.00 H new ATOM 0 HB2 ALA B 85 5.622 16.767 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA B 85 3.871 16.974 -2.193 1.00 0.00 H new ATOM 2311 N VAL B 86 2.116 15.020 -2.428 1.00 0.00 N ATOM 2312 CA VAL B 86 0.856 14.395 -2.018 1.00 0.00 C ATOM 2313 C VAL B 86 0.400 13.284 -2.964 1.00 0.00 C ATOM 2314 O VAL B 86 0.155 12.160 -2.525 1.00 0.00 O ATOM 2315 CB VAL B 86 -0.229 15.482 -1.888 1.00 0.00 C ATOM 2316 CG1 VAL B 86 -1.605 14.955 -2.265 1.00 0.00 C ATOM 2317 CG2 VAL B 86 -0.278 16.029 -0.471 1.00 0.00 C ATOM 0 H VAL B 86 2.077 16.039 -2.465 1.00 0.00 H new ATOM 0 HA VAL B 86 1.024 13.915 -1.054 1.00 0.00 H new ATOM 0 HB VAL B 86 0.040 16.280 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -2.341 15.752 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -1.591 14.608 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -1.870 14.127 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -1.051 16.795 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -0.506 15.220 0.223 1.00 0.00 H new ATOM 0 HG23 VAL B 86 0.688 16.465 -0.216 1.00 0.00 H new ATOM 2327 N LYS B 87 0.325 13.591 -4.252 1.00 0.00 N ATOM 2328 CA LYS B 87 -0.124 12.625 -5.249 1.00 0.00 C ATOM 2329 C LYS B 87 0.772 11.393 -5.274 1.00 0.00 C ATOM 2330 O LYS B 87 0.307 10.302 -5.561 1.00 0.00 O ATOM 2331 CB LYS B 87 -0.158 13.280 -6.633 1.00 0.00 C ATOM 2332 CG LYS B 87 -1.177 14.405 -6.754 1.00 0.00 C ATOM 2333 CD LYS B 87 -0.857 15.334 -7.917 1.00 0.00 C ATOM 2334 CE LYS B 87 0.240 16.324 -7.553 1.00 0.00 C ATOM 2335 NZ LYS B 87 0.567 17.243 -8.679 1.00 0.00 N ATOM 0 H LYS B 87 0.570 14.505 -4.633 1.00 0.00 H new ATOM 0 HA LYS B 87 -1.129 12.302 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS B 87 0.832 13.673 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -0.381 12.518 -7.380 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -2.172 13.981 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -1.199 14.977 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -0.546 14.745 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -1.756 15.876 -8.209 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -0.074 16.909 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS B 87 1.137 15.778 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 1.471 17.720 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 0.644 16.698 -9.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -0.186 17.954 -8.776 1.00 0.00 H new ATOM 2349 N GLU B 88 2.049 11.570 -4.969 1.00 0.00 N ATOM 2350 CA GLU B 88 2.990 10.460 -4.951 1.00 0.00 C ATOM 2351 C GLU B 88 2.650 9.503 -3.819 1.00 0.00 C ATOM 2352 O GLU B 88 2.466 8.306 -4.041 1.00 0.00 O ATOM 2353 CB GLU B 88 4.413 10.979 -4.800 1.00 0.00 C ATOM 2354 CG GLU B 88 4.887 11.767 -6.001 1.00 0.00 C ATOM 2355 CD GLU B 88 6.186 12.494 -5.743 1.00 0.00 C ATOM 2356 OE1 GLU B 88 6.451 12.853 -4.575 1.00 0.00 O ATOM 2357 OE2 GLU B 88 6.932 12.727 -6.717 1.00 0.00 O ATOM 0 H GLU B 88 2.458 12.473 -4.730 1.00 0.00 H new ATOM 0 HA GLU B 88 2.917 9.921 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU B 88 4.471 11.610 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU B 88 5.085 10.137 -4.637 1.00 0.00 H new ATOM 0 HG2 GLU B 88 5.015 11.091 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU B 88 4.121 12.489 -6.283 1.00 0.00 H new ATOM 2364 N ARG B 89 2.558 10.042 -2.605 1.00 0.00 N ATOM 2365 CA ARG B 89 2.206 9.242 -1.437 1.00 0.00 C ATOM 2366 C ARG B 89 0.855 8.595 -1.659 1.00 0.00 C ATOM 2367 O ARG B 89 0.673 7.411 -1.400 1.00 0.00 O ATOM 2368 CB ARG B 89 2.167 10.114 -0.179 1.00 0.00 C ATOM 2369 CG ARG B 89 1.196 9.649 0.899 1.00 0.00 C ATOM 2370 CD ARG B 89 0.889 10.773 1.879 1.00 0.00 C ATOM 2371 NE ARG B 89 -0.542 10.890 2.168 1.00 0.00 N ATOM 2372 CZ ARG B 89 -1.437 11.421 1.330 1.00 0.00 C ATOM 2373 NH1 ARG B 89 -1.046 11.927 0.170 1.00 0.00 N ATOM 2374 NH2 ARG B 89 -2.722 11.474 1.668 1.00 0.00 N ATOM 0 H ARG B 89 2.722 11.029 -2.406 1.00 0.00 H new ATOM 0 HA ARG B 89 2.962 8.470 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG B 89 3.169 10.153 0.249 1.00 0.00 H new ATOM 0 HB3 ARG B 89 1.904 11.131 -0.469 1.00 0.00 H new ATOM 0 HG2 ARG B 89 0.272 9.303 0.436 1.00 0.00 H new ATOM 0 HG3 ARG B 89 1.621 8.801 1.435 1.00 0.00 H new ATOM 0 HD2 ARG B 89 1.431 10.598 2.808 1.00 0.00 H new ATOM 0 HD3 ARG B 89 1.252 11.716 1.471 1.00 0.00 H new ATOM 0 HE ARG B 89 -0.877 10.544 3.067 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -0.059 11.912 -0.086 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -1.732 12.332 -0.467 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -3.028 11.108 2.570 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.402 11.880 1.025 1.00 0.00 H new ATOM 2388 N ASP B 90 -0.077 9.388 -2.162 1.00 0.00 N ATOM 2389 CA ASP B 90 -1.421 8.917 -2.437 1.00 0.00 C ATOM 2390 C ASP B 90 -1.437 7.824 -3.482 1.00 0.00 C ATOM 2391 O ASP B 90 -2.154 6.844 -3.346 1.00 0.00 O ATOM 2392 CB ASP B 90 -2.316 10.075 -2.881 1.00 0.00 C ATOM 2393 CG ASP B 90 -3.040 10.697 -1.717 1.00 0.00 C ATOM 2394 OD1 ASP B 90 -3.658 9.933 -0.939 1.00 0.00 O ATOM 2395 OD2 ASP B 90 -2.972 11.934 -1.560 1.00 0.00 O ATOM 0 H ASP B 90 0.077 10.370 -2.389 1.00 0.00 H new ATOM 0 HA ASP B 90 -1.809 8.496 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -1.711 10.832 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -3.041 9.715 -3.611 1.00 0.00 H new ATOM 2400 N ALA B 91 -0.608 7.983 -4.490 1.00 0.00 N ATOM 2401 CA ALA B 91 -0.526 7.021 -5.590 1.00 0.00 C ATOM 2402 C ALA B 91 0.063 5.722 -5.115 1.00 0.00 C ATOM 2403 O ALA B 91 -0.471 4.642 -5.368 1.00 0.00 O ATOM 2404 CB ALA B 91 0.343 7.568 -6.700 1.00 0.00 C ATOM 0 H ALA B 91 0.029 8.775 -4.579 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.537 6.849 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA B 91 0.396 6.843 -7.512 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -0.085 8.499 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.346 7.757 -6.317 1.00 0.00 H new ATOM 2410 N VAL B 92 1.187 5.850 -4.447 1.00 0.00 N ATOM 2411 CA VAL B 92 1.886 4.725 -3.892 1.00 0.00 C ATOM 2412 C VAL B 92 0.944 3.977 -2.968 1.00 0.00 C ATOM 2413 O VAL B 92 0.806 2.768 -3.048 1.00 0.00 O ATOM 2414 CB VAL B 92 3.113 5.229 -3.128 1.00 0.00 C ATOM 2415 CG1 VAL B 92 3.573 4.241 -2.084 1.00 0.00 C ATOM 2416 CG2 VAL B 92 4.241 5.543 -4.087 1.00 0.00 C ATOM 0 H VAL B 92 1.641 6.747 -4.275 1.00 0.00 H new ATOM 0 HA VAL B 92 2.220 4.049 -4.679 1.00 0.00 H new ATOM 0 HB VAL B 92 2.821 6.142 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL B 92 4.446 4.639 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.771 4.071 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL B 92 3.835 3.299 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.106 5.900 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL B 92 4.512 4.642 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL B 92 3.919 6.313 -4.788 1.00 0.00 H new ATOM 2426 N LYS B 93 0.267 4.750 -2.136 1.00 0.00 N ATOM 2427 CA LYS B 93 -0.709 4.248 -1.185 1.00 0.00 C ATOM 2428 C LYS B 93 -1.838 3.552 -1.904 1.00 0.00 C ATOM 2429 O LYS B 93 -2.260 2.467 -1.516 1.00 0.00 O ATOM 2430 CB LYS B 93 -1.272 5.441 -0.430 1.00 0.00 C ATOM 2431 CG LYS B 93 -2.484 5.142 0.415 1.00 0.00 C ATOM 2432 CD LYS B 93 -3.149 6.432 0.840 1.00 0.00 C ATOM 2433 CE LYS B 93 -4.395 6.727 0.038 1.00 0.00 C ATOM 2434 NZ LYS B 93 -4.100 7.292 -1.308 1.00 0.00 N ATOM 0 H LYS B 93 0.383 5.763 -2.102 1.00 0.00 H new ATOM 0 HA LYS B 93 -0.234 3.536 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -0.491 5.848 0.212 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.531 6.218 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.188 4.529 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -2.192 4.567 1.294 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.406 6.374 1.898 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -2.444 7.256 0.728 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -4.972 5.809 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.019 7.428 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -4.803 6.945 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -4.141 8.330 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -3.149 6.995 -1.608 1.00 0.00 H new ATOM 2448 N ASP B 94 -2.328 4.200 -2.945 1.00 0.00 N ATOM 2449 CA ASP B 94 -3.415 3.656 -3.727 1.00 0.00 C ATOM 2450 C ASP B 94 -3.021 2.290 -4.256 1.00 0.00 C ATOM 2451 O ASP B 94 -3.709 1.294 -4.032 1.00 0.00 O ATOM 2452 CB ASP B 94 -3.775 4.584 -4.881 1.00 0.00 C ATOM 2453 CG ASP B 94 -4.847 5.589 -4.496 1.00 0.00 C ATOM 2454 OD1 ASP B 94 -5.038 5.827 -3.276 1.00 0.00 O ATOM 2455 OD2 ASP B 94 -5.494 6.146 -5.400 1.00 0.00 O ATOM 0 H ASP B 94 -1.987 5.106 -3.267 1.00 0.00 H new ATOM 0 HA ASP B 94 -4.293 3.560 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -2.882 5.116 -5.210 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -4.122 3.991 -5.727 1.00 0.00 H new ATOM 2460 N LEU B 95 -1.877 2.254 -4.934 1.00 0.00 N ATOM 2461 CA LEU B 95 -1.346 1.021 -5.494 1.00 0.00 C ATOM 2462 C LEU B 95 -1.097 0.007 -4.389 1.00 0.00 C ATOM 2463 O LEU B 95 -1.519 -1.140 -4.484 1.00 0.00 O ATOM 2464 CB LEU B 95 -0.058 1.305 -6.273 1.00 0.00 C ATOM 2465 CG LEU B 95 -0.157 1.103 -7.791 1.00 0.00 C ATOM 2466 CD1 LEU B 95 -1.518 1.543 -8.310 1.00 0.00 C ATOM 2467 CD2 LEU B 95 0.947 1.873 -8.499 1.00 0.00 C ATOM 0 H LEU B 95 -1.297 3.075 -5.108 1.00 0.00 H new ATOM 0 HA LEU B 95 -2.078 0.602 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU B 95 0.247 2.333 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU B 95 0.731 0.660 -5.887 1.00 0.00 H new ATOM 0 HG LEU B 95 -0.038 0.040 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -1.563 1.390 -9.388 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -2.299 0.956 -7.827 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -1.668 2.599 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU B 95 0.864 1.720 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU B 95 0.851 2.935 -8.275 1.00 0.00 H new ATOM 0 HD23 LEU B 95 1.918 1.516 -8.155 1.00 0.00 H new ATOM 2479 N LEU B 96 -0.445 0.463 -3.333 1.00 0.00 N ATOM 2480 CA LEU B 96 -0.126 -0.365 -2.178 1.00 0.00 C ATOM 2481 C LEU B 96 -1.374 -1.042 -1.620 1.00 0.00 C ATOM 2482 O LEU B 96 -1.457 -2.268 -1.576 1.00 0.00 O ATOM 2483 CB LEU B 96 0.533 0.512 -1.115 1.00 0.00 C ATOM 2484 CG LEU B 96 2.038 0.675 -1.283 1.00 0.00 C ATOM 2485 CD1 LEU B 96 2.575 1.674 -0.278 1.00 0.00 C ATOM 2486 CD2 LEU B 96 2.744 -0.663 -1.151 1.00 0.00 C ATOM 0 H LEU B 96 -0.119 1.426 -3.251 1.00 0.00 H new ATOM 0 HA LEU B 96 0.560 -1.156 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU B 96 0.068 1.498 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU B 96 0.333 0.084 -0.133 1.00 0.00 H new ATOM 0 HG LEU B 96 2.235 1.058 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU B 96 3.652 1.780 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU B 96 2.094 2.640 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU B 96 2.366 1.322 0.732 1.00 0.00 H new ATOM 0 HD21 LEU B 96 3.818 -0.522 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU B 96 2.545 -1.084 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU B 96 2.377 -1.345 -1.918 1.00 0.00 H new ATOM 2498 N GLN B 97 -2.339 -0.230 -1.218 1.00 0.00 N ATOM 2499 CA GLN B 97 -3.599 -0.710 -0.671 1.00 0.00 C ATOM 2500 C GLN B 97 -4.321 -1.669 -1.623 1.00 0.00 C ATOM 2501 O GLN B 97 -4.807 -2.718 -1.205 1.00 0.00 O ATOM 2502 CB GLN B 97 -4.475 0.495 -0.316 1.00 0.00 C ATOM 2503 CG GLN B 97 -5.964 0.284 -0.470 1.00 0.00 C ATOM 2504 CD GLN B 97 -6.730 1.590 -0.420 1.00 0.00 C ATOM 2505 OE1 GLN B 97 -7.164 2.033 0.642 1.00 0.00 O ATOM 2506 NE2 GLN B 97 -6.882 2.226 -1.567 1.00 0.00 N ATOM 0 H GLN B 97 -2.270 0.787 -1.262 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.390 -1.287 0.230 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -4.271 0.779 0.716 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.178 1.336 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.163 -0.217 -1.417 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -6.320 -0.376 0.321 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -6.507 1.825 -2.426 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.375 3.119 -1.594 1.00 0.00 H new ATOM 2515 N GLN B 98 -4.348 -1.322 -2.903 1.00 0.00 N ATOM 2516 CA GLN B 98 -5.036 -2.127 -3.915 1.00 0.00 C ATOM 2517 C GLN B 98 -4.317 -3.440 -4.232 1.00 0.00 C ATOM 2518 O GLN B 98 -4.959 -4.454 -4.509 1.00 0.00 O ATOM 2519 CB GLN B 98 -5.190 -1.320 -5.205 1.00 0.00 C ATOM 2520 CG GLN B 98 -6.238 -0.220 -5.122 1.00 0.00 C ATOM 2521 CD GLN B 98 -6.091 0.820 -6.221 1.00 0.00 C ATOM 2522 OE1 GLN B 98 -7.068 1.413 -6.666 1.00 0.00 O ATOM 2523 NE2 GLN B 98 -4.865 1.058 -6.661 1.00 0.00 N ATOM 0 H GLN B 98 -3.899 -0.483 -3.271 1.00 0.00 H new ATOM 0 HA GLN B 98 -6.010 -2.381 -3.497 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -4.229 -0.874 -5.460 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -5.452 -1.998 -6.017 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -7.231 -0.666 -5.181 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -6.166 0.271 -4.152 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -4.074 0.547 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -4.711 1.753 -7.392 1.00 0.00 H new ATOM 2532 N LEU B 99 -2.996 -3.424 -4.194 1.00 0.00 N ATOM 2533 CA LEU B 99 -2.208 -4.608 -4.529 1.00 0.00 C ATOM 2534 C LEU B 99 -1.943 -5.504 -3.327 1.00 0.00 C ATOM 2535 O LEU B 99 -1.559 -6.664 -3.490 1.00 0.00 O ATOM 2536 CB LEU B 99 -0.887 -4.175 -5.149 1.00 0.00 C ATOM 2537 CG LEU B 99 -1.003 -3.565 -6.541 1.00 0.00 C ATOM 2538 CD1 LEU B 99 0.095 -2.545 -6.757 1.00 0.00 C ATOM 2539 CD2 LEU B 99 -0.934 -4.654 -7.599 1.00 0.00 C ATOM 0 H LEU B 99 -2.442 -2.607 -3.935 1.00 0.00 H new ATOM 0 HA LEU B 99 -2.791 -5.195 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -0.412 -3.450 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.225 -5.040 -5.201 1.00 0.00 H new ATOM 0 HG LEU B 99 -1.966 -3.061 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU B 99 0.002 -2.116 -7.755 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.008 -1.754 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU B 99 1.066 -3.030 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -1.018 -4.205 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU B 99 0.017 -5.180 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -1.752 -5.359 -7.450 1.00 0.00 H new ATOM 2551 N LEU B 100 -2.144 -4.970 -2.134 1.00 0.00 N ATOM 2552 CA LEU B 100 -1.924 -5.725 -0.903 1.00 0.00 C ATOM 2553 C LEU B 100 -2.653 -7.074 -0.892 1.00 0.00 C ATOM 2554 O LEU B 100 -2.015 -8.107 -0.680 1.00 0.00 O ATOM 2555 CB LEU B 100 -2.343 -4.908 0.312 1.00 0.00 C ATOM 2556 CG LEU B 100 -1.253 -4.047 0.929 1.00 0.00 C ATOM 2557 CD1 LEU B 100 -1.847 -3.183 2.031 1.00 0.00 C ATOM 2558 CD2 LEU B 100 -0.128 -4.928 1.461 1.00 0.00 C ATOM 0 H LEU B 100 -2.461 -4.012 -1.987 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.855 -5.931 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -3.173 -4.262 0.025 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -2.718 -5.590 1.075 1.00 0.00 H new ATOM 0 HG LEU B 100 -0.831 -3.390 0.168 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.064 -2.566 2.472 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -2.622 -2.541 1.612 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -2.282 -3.822 2.800 1.00 0.00 H new ATOM 0 HD21 LEU B 100 0.648 -4.301 1.901 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.523 -5.603 2.220 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.296 -5.510 0.643 1.00 0.00 H new ATOM 2570 N PRO B 101 -3.986 -7.105 -1.138 1.00 0.00 N ATOM 2571 CA PRO B 101 -4.770 -8.354 -1.126 1.00 0.00 C ATOM 2572 C PRO B 101 -4.314 -9.386 -2.160 1.00 0.00 C ATOM 2573 O PRO B 101 -4.904 -10.453 -2.269 1.00 0.00 O ATOM 2574 CB PRO B 101 -6.199 -7.896 -1.437 1.00 0.00 C ATOM 2575 CG PRO B 101 -6.218 -6.451 -1.094 1.00 0.00 C ATOM 2576 CD PRO B 101 -4.850 -5.943 -1.427 1.00 0.00 C ATOM 0 HA PRO B 101 -4.659 -8.863 -0.169 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -6.446 -8.057 -2.486 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -6.929 -8.452 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.982 -5.922 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.446 -6.301 -0.039 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.777 -5.635 -2.470 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.581 -5.079 -0.819 1.00 0.00 H new ATOM 2584 N LYS B 102 -3.282 -9.070 -2.925 1.00 0.00 N ATOM 2585 CA LYS B 102 -2.772 -10.001 -3.917 1.00 0.00 C ATOM 2586 C LYS B 102 -1.574 -10.771 -3.362 1.00 0.00 C ATOM 2587 O LYS B 102 -1.268 -11.868 -3.824 1.00 0.00 O ATOM 2588 CB LYS B 102 -2.365 -9.260 -5.201 1.00 0.00 C ATOM 2589 CG LYS B 102 -2.524 -10.095 -6.468 1.00 0.00 C ATOM 2590 CD LYS B 102 -1.346 -9.921 -7.433 1.00 0.00 C ATOM 2591 CE LYS B 102 -1.289 -8.526 -8.053 1.00 0.00 C ATOM 2592 NZ LYS B 102 -0.117 -8.356 -8.972 1.00 0.00 N ATOM 0 H LYS B 102 -2.784 -8.181 -2.879 1.00 0.00 H new ATOM 0 HA LYS B 102 -3.567 -10.707 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -2.967 -8.356 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -1.326 -8.943 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.617 -11.147 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -3.448 -9.813 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -0.415 -10.115 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -1.420 -10.664 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -2.210 -8.339 -8.605 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -1.236 -7.781 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -0.375 -7.713 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 0.684 -7.957 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 0.154 -9.280 -9.364 1.00 0.00 H new ATOM 2606 N PHE B 103 -0.885 -10.187 -2.378 1.00 0.00 N ATOM 2607 CA PHE B 103 0.302 -10.819 -1.809 1.00 0.00 C ATOM 2608 C PHE B 103 0.220 -11.030 -0.311 1.00 0.00 C ATOM 2609 O PHE B 103 1.181 -11.478 0.283 1.00 0.00 O ATOM 2610 CB PHE B 103 1.532 -9.996 -2.171 1.00 0.00 C ATOM 2611 CG PHE B 103 1.640 -9.785 -3.647 1.00 0.00 C ATOM 2612 CD1 PHE B 103 1.987 -10.835 -4.482 1.00 0.00 C ATOM 2613 CD2 PHE B 103 1.360 -8.552 -4.205 1.00 0.00 C ATOM 2614 CE1 PHE B 103 2.060 -10.655 -5.848 1.00 0.00 C ATOM 2615 CE2 PHE B 103 1.427 -8.366 -5.568 1.00 0.00 C ATOM 2616 CZ PHE B 103 1.778 -9.419 -6.391 1.00 0.00 C ATOM 0 H PHE B 103 -1.127 -9.287 -1.964 1.00 0.00 H new ATOM 0 HA PHE B 103 0.373 -11.817 -2.242 1.00 0.00 H new ATOM 0 HB2 PHE B 103 1.485 -9.030 -1.668 1.00 0.00 H new ATOM 0 HB3 PHE B 103 2.428 -10.501 -1.809 1.00 0.00 H new ATOM 0 HD1 PHE B 103 2.203 -11.805 -4.059 1.00 0.00 H new ATOM 0 HD2 PHE B 103 1.086 -7.726 -3.566 1.00 0.00 H new ATOM 0 HE1 PHE B 103 2.337 -11.479 -6.489 1.00 0.00 H new ATOM 0 HE2 PHE B 103 1.205 -7.398 -5.993 1.00 0.00 H new ATOM 0 HZ PHE B 103 1.832 -9.274 -7.460 1.00 0.00 H new ATOM 2626 N LYS B 104 -0.929 -10.764 0.284 1.00 0.00 N ATOM 2627 CA LYS B 104 -1.101 -10.913 1.733 1.00 0.00 C ATOM 2628 C LYS B 104 -0.635 -12.273 2.233 1.00 0.00 C ATOM 2629 O LYS B 104 -1.162 -13.311 1.836 1.00 0.00 O ATOM 2630 CB LYS B 104 -2.559 -10.723 2.118 1.00 0.00 C ATOM 2631 CG LYS B 104 -3.030 -9.299 1.970 1.00 0.00 C ATOM 2632 CD LYS B 104 -4.307 -9.062 2.745 1.00 0.00 C ATOM 2633 CE LYS B 104 -4.001 -8.543 4.143 1.00 0.00 C ATOM 2634 NZ LYS B 104 -5.233 -8.217 4.903 1.00 0.00 N ATOM 0 H LYS B 104 -1.763 -10.443 -0.208 1.00 0.00 H new ATOM 0 HA LYS B 104 -0.484 -10.145 2.200 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -3.179 -11.371 1.498 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -2.700 -11.040 3.151 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -2.255 -8.618 2.323 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -3.194 -9.075 0.916 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -4.932 -8.344 2.214 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -4.875 -9.990 2.813 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -3.427 -9.292 4.689 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -3.376 -7.653 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -5.005 -7.544 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -5.934 -7.792 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -5.626 -9.086 5.317 1.00 0.00 H new