USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 670 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 397 ASN : amide:sc= -4.12! C(o=-3.1!,f=-4.7!) USER MOD Set 1.2: B 400 LYS NZ :NH3+ -136:sc= 0.975 (180deg=-0.0045) USER MOD Single : A 607 CYS SG : rot -160:sc= -0.185 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl -124:sc= -1.05 (180deg=-2.06) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.014) USER MOD Single : A 617 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.29) USER MOD Single : A 619 SER OG : rot 180:sc= -0.0583 USER MOD Single : A 623 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.9!) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ -158:sc= -0.573 (180deg=-1.51!) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 638 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.00082) USER MOD Single : A 639 SER OG : rot 180:sc= 0 USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 663 THR OG1 : rot 120:sc= -1.01 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 99:sc= 1.25 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : B 389 THR OG1 : rot -9:sc= 0.783 USER MOD Single : B 393 GLN : amide:sc= -0.641 K(o=-0.64,f=-2.8!) USER MOD Single : B 395 SER OG : rot 127:sc= -1.33 USER MOD Single : B 396 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 404 THR OG1 : rot 140:sc= -1.77 USER MOD ----------------------------------------------------------------- ATOM 106 N CYS A 607 -16.843 4.129 6.138 1.00 4.24 N ATOM 107 CA CYS A 607 -15.719 3.481 5.473 1.00 63.11 C ATOM 108 C CYS A 607 -16.169 2.212 4.755 1.00 10.32 C ATOM 109 O CYS A 607 -16.475 1.203 5.389 1.00 62.33 O ATOM 110 CB CYS A 607 -14.624 3.146 6.487 1.00 61.45 C ATOM 111 SG CYS A 607 -13.030 2.729 5.741 1.00 63.30 S ATOM 0 HA CYS A 607 -15.319 4.173 4.732 1.00 63.11 H new ATOM 0 HB2 CYS A 607 -14.489 3.997 7.155 1.00 61.45 H new ATOM 0 HB3 CYS A 607 -14.956 2.309 7.101 1.00 61.45 H new ATOM 0 HG CYS A 607 -12.309 2.070 6.598 1.00 63.30 H new ATOM 117 N LYS A 608 -16.210 2.273 3.429 1.00 64.14 N ATOM 118 CA LYS A 608 -16.623 1.130 2.623 1.00 53.10 C ATOM 119 C LYS A 608 -15.420 0.281 2.224 1.00 34.44 C ATOM 120 O LYS A 608 -14.293 0.764 2.130 1.00 2.53 O ATOM 121 CB LYS A 608 -17.363 1.605 1.369 1.00 20.45 C ATOM 122 CG LYS A 608 -18.590 2.448 1.670 1.00 61.41 C ATOM 123 CD LYS A 608 -18.348 3.915 1.358 1.00 73.32 C ATOM 124 CE LYS A 608 -19.590 4.753 1.622 1.00 22.44 C ATOM 125 NZ LYS A 608 -19.997 5.537 0.423 1.00 22.42 N ATOM 0 H LYS A 608 -15.962 3.102 2.889 1.00 64.14 H new ATOM 0 HA LYS A 608 -17.294 0.517 3.225 1.00 53.10 H new ATOM 0 HB2 LYS A 608 -16.678 2.184 0.750 1.00 20.45 H new ATOM 0 HB3 LYS A 608 -17.664 0.736 0.784 1.00 20.45 H new ATOM 0 HG2 LYS A 608 -19.435 2.085 1.084 1.00 61.41 H new ATOM 0 HG3 LYS A 608 -18.860 2.338 2.720 1.00 61.41 H new ATOM 0 HD2 LYS A 608 -17.522 4.286 1.965 1.00 73.32 H new ATOM 0 HD3 LYS A 608 -18.050 4.022 0.315 1.00 73.32 H new ATOM 0 HE2 LYS A 608 -20.410 4.102 1.925 1.00 22.44 H new ATOM 0 HE3 LYS A 608 -19.399 5.433 2.453 1.00 22.44 H new ATOM 0 HZ1 LYS A 608 -20.847 6.094 0.645 1.00 22.42 H new ATOM 0 HZ2 LYS A 608 -19.225 6.177 0.148 1.00 22.42 H new ATOM 0 HZ3 LYS A 608 -20.204 4.888 -0.363 1.00 22.42 H new ATOM 139 N PRO A 609 -15.664 -1.016 1.985 1.00 42.12 N ATOM 140 CA PRO A 609 -14.613 -1.960 1.591 1.00 42.44 C ATOM 141 C PRO A 609 -14.095 -1.695 0.182 1.00 71.04 C ATOM 142 O PRO A 609 -14.752 -1.026 -0.616 1.00 72.41 O ATOM 143 CB PRO A 609 -15.314 -3.319 1.657 1.00 60.33 C ATOM 144 CG PRO A 609 -16.757 -3.011 1.455 1.00 75.31 C ATOM 145 CD PRO A 609 -16.984 -1.662 2.078 1.00 12.15 C ATOM 0 HA PRO A 609 -13.736 -1.886 2.234 1.00 42.44 H new ATOM 0 HB2 PRO A 609 -14.942 -3.994 0.887 1.00 60.33 H new ATOM 0 HB3 PRO A 609 -15.144 -3.806 2.617 1.00 60.33 H new ATOM 0 HG2 PRO A 609 -17.008 -2.998 0.394 1.00 75.31 H new ATOM 0 HG3 PRO A 609 -17.387 -3.768 1.923 1.00 75.31 H new ATOM 0 HD2 PRO A 609 -17.747 -1.096 1.543 1.00 12.15 H new ATOM 0 HD3 PRO A 609 -17.317 -1.748 3.112 1.00 12.15 H new ATOM 153 N MET A 610 -12.913 -2.224 -0.119 1.00 33.44 N ATOM 154 CA MET A 610 -12.308 -2.046 -1.433 1.00 72.15 C ATOM 155 C MET A 610 -12.081 -3.392 -2.114 1.00 1.41 C ATOM 156 O MET A 610 -11.236 -4.179 -1.686 1.00 53.14 O ATOM 157 CB MET A 610 -10.983 -1.292 -1.310 1.00 63.12 C ATOM 158 CG MET A 610 -11.093 0.007 -0.529 1.00 42.00 C ATOM 159 SD MET A 610 -10.852 1.463 -1.566 1.00 21.35 S ATOM 160 CE MET A 610 -9.222 1.137 -2.233 1.00 60.43 C ATOM 0 H MET A 610 -12.356 -2.779 0.530 1.00 33.44 H new ATOM 0 HA MET A 610 -12.994 -1.461 -2.045 1.00 72.15 H new ATOM 0 HB2 MET A 610 -10.251 -1.937 -0.824 1.00 63.12 H new ATOM 0 HB3 MET A 610 -10.604 -1.075 -2.309 1.00 63.12 H new ATOM 0 HG2 MET A 610 -12.074 0.060 -0.056 1.00 42.00 H new ATOM 0 HG3 MET A 610 -10.353 0.009 0.271 1.00 42.00 H new ATOM 0 HE1 MET A 610 -8.562 1.974 -2.005 1.00 60.43 H new ATOM 0 HE2 MET A 610 -8.822 0.227 -1.787 1.00 60.43 H new ATOM 0 HE3 MET A 610 -9.289 1.012 -3.314 1.00 60.43 H new ATOM 170 N SER A 611 -12.839 -3.649 -3.175 1.00 31.24 N ATOM 171 CA SER A 611 -12.721 -4.903 -3.911 1.00 53.35 C ATOM 172 C SER A 611 -11.271 -5.171 -4.300 1.00 23.04 C ATOM 173 O SER A 611 -10.472 -4.244 -4.438 1.00 64.50 O ATOM 174 CB SER A 611 -13.599 -4.865 -5.165 1.00 1.12 C ATOM 175 OG SER A 611 -14.150 -6.142 -5.439 1.00 13.31 O ATOM 0 H SER A 611 -13.540 -3.007 -3.544 1.00 31.24 H new ATOM 0 HA SER A 611 -13.059 -5.711 -3.262 1.00 53.35 H new ATOM 0 HB2 SER A 611 -14.402 -4.140 -5.029 1.00 1.12 H new ATOM 0 HB3 SER A 611 -13.008 -4.530 -6.017 1.00 1.12 H new ATOM 0 HG SER A 611 -14.708 -6.092 -6.243 1.00 13.31 H new ATOM 181 N TYR A 612 -10.938 -6.445 -4.475 1.00 3.13 N ATOM 182 CA TYR A 612 -9.583 -6.837 -4.845 1.00 54.21 C ATOM 183 C TYR A 612 -9.088 -6.027 -6.039 1.00 54.42 C ATOM 184 O TYR A 612 -7.925 -5.629 -6.093 1.00 33.42 O ATOM 185 CB TYR A 612 -9.534 -8.330 -5.172 1.00 71.45 C ATOM 186 CG TYR A 612 -10.525 -8.752 -6.233 1.00 53.44 C ATOM 187 CD1 TYR A 612 -11.815 -9.141 -5.892 1.00 0.33 C ATOM 188 CD2 TYR A 612 -10.173 -8.759 -7.577 1.00 51.14 C ATOM 189 CE1 TYR A 612 -12.724 -9.526 -6.858 1.00 32.30 C ATOM 190 CE2 TYR A 612 -11.076 -9.141 -8.551 1.00 35.24 C ATOM 191 CZ TYR A 612 -12.349 -9.525 -8.185 1.00 75.24 C ATOM 192 OH TYR A 612 -13.253 -9.907 -9.151 1.00 21.21 O ATOM 0 H TYR A 612 -11.588 -7.224 -4.367 1.00 3.13 H new ATOM 0 HA TYR A 612 -8.929 -6.635 -3.997 1.00 54.21 H new ATOM 0 HB2 TYR A 612 -8.528 -8.588 -5.504 1.00 71.45 H new ATOM 0 HB3 TYR A 612 -9.725 -8.899 -4.262 1.00 71.45 H new ATOM 0 HD1 TYR A 612 -12.112 -9.142 -4.854 1.00 0.33 H new ATOM 0 HD2 TYR A 612 -9.176 -8.461 -7.866 1.00 51.14 H new ATOM 0 HE1 TYR A 612 -13.722 -9.826 -6.576 1.00 32.30 H new ATOM 0 HE2 TYR A 612 -10.787 -9.139 -9.592 1.00 35.24 H new ATOM 0 HH TYR A 612 -12.832 -9.849 -10.034 1.00 21.21 H new ATOM 202 N GLU A 613 -9.982 -5.785 -6.993 1.00 73.11 N ATOM 203 CA GLU A 613 -9.637 -5.023 -8.187 1.00 3.43 C ATOM 204 C GLU A 613 -9.124 -3.633 -7.815 1.00 72.14 C ATOM 205 O GLU A 613 -7.997 -3.268 -8.146 1.00 42.41 O ATOM 206 CB GLU A 613 -10.850 -4.901 -9.110 1.00 51.25 C ATOM 207 CG GLU A 613 -10.750 -5.756 -10.363 1.00 53.21 C ATOM 208 CD GLU A 613 -10.913 -4.948 -11.635 1.00 51.54 C ATOM 209 OE1 GLU A 613 -9.921 -4.332 -12.078 1.00 42.42 O ATOM 210 OE2 GLU A 613 -12.033 -4.929 -12.188 1.00 24.51 O ATOM 0 H GLU A 613 -10.950 -6.106 -6.962 1.00 73.11 H new ATOM 0 HA GLU A 613 -8.844 -5.556 -8.711 1.00 3.43 H new ATOM 0 HB2 GLU A 613 -11.746 -5.184 -8.558 1.00 51.25 H new ATOM 0 HB3 GLU A 613 -10.971 -3.858 -9.401 1.00 51.25 H new ATOM 0 HG2 GLU A 613 -9.783 -6.260 -10.378 1.00 53.21 H new ATOM 0 HG3 GLU A 613 -11.514 -6.533 -10.330 1.00 53.21 H new ATOM 217 N GLU A 614 -9.963 -2.865 -7.127 1.00 13.21 N ATOM 218 CA GLU A 614 -9.596 -1.516 -6.713 1.00 31.33 C ATOM 219 C GLU A 614 -8.210 -1.501 -6.074 1.00 73.11 C ATOM 220 O GLU A 614 -7.308 -0.804 -6.537 1.00 64.44 O ATOM 221 CB GLU A 614 -10.629 -0.962 -5.729 1.00 24.31 C ATOM 222 CG GLU A 614 -11.762 -0.204 -6.399 1.00 31.21 C ATOM 223 CD GLU A 614 -12.973 -1.080 -6.664 1.00 2.32 C ATOM 224 OE1 GLU A 614 -12.886 -1.962 -7.543 1.00 4.21 O ATOM 225 OE2 GLU A 614 -14.007 -0.881 -5.992 1.00 25.10 O ATOM 0 H GLU A 614 -10.900 -3.153 -6.845 1.00 13.21 H new ATOM 0 HA GLU A 614 -9.575 -0.884 -7.601 1.00 31.33 H new ATOM 0 HB2 GLU A 614 -11.047 -1.786 -5.151 1.00 24.31 H new ATOM 0 HB3 GLU A 614 -10.127 -0.300 -5.023 1.00 24.31 H new ATOM 0 HG2 GLU A 614 -12.056 0.635 -5.768 1.00 31.21 H new ATOM 0 HG3 GLU A 614 -11.407 0.214 -7.341 1.00 31.21 H new ATOM 232 N LYS A 615 -8.049 -2.276 -5.006 1.00 14.31 N ATOM 233 CA LYS A 615 -6.774 -2.354 -4.302 1.00 52.54 C ATOM 234 C LYS A 615 -5.667 -2.834 -5.234 1.00 61.14 C ATOM 235 O LYS A 615 -4.515 -2.417 -5.111 1.00 31.24 O ATOM 236 CB LYS A 615 -6.888 -3.296 -3.101 1.00 75.03 C ATOM 237 CG LYS A 615 -7.351 -4.695 -3.468 1.00 21.52 C ATOM 238 CD LYS A 615 -7.369 -5.612 -2.256 1.00 50.02 C ATOM 239 CE LYS A 615 -8.718 -5.580 -1.554 1.00 4.21 C ATOM 240 NZ LYS A 615 -8.769 -6.530 -0.408 1.00 63.43 N ATOM 0 H LYS A 615 -8.786 -2.859 -4.609 1.00 14.31 H new ATOM 0 HA LYS A 615 -6.520 -1.354 -3.949 1.00 52.54 H new ATOM 0 HB2 LYS A 615 -5.918 -3.361 -2.607 1.00 75.03 H new ATOM 0 HB3 LYS A 615 -7.585 -2.869 -2.380 1.00 75.03 H new ATOM 0 HG2 LYS A 615 -8.349 -4.646 -3.904 1.00 21.52 H new ATOM 0 HG3 LYS A 615 -6.691 -5.110 -4.230 1.00 21.52 H new ATOM 0 HD2 LYS A 615 -7.143 -6.632 -2.567 1.00 50.02 H new ATOM 0 HD3 LYS A 615 -6.587 -5.311 -1.559 1.00 50.02 H new ATOM 0 HE2 LYS A 615 -8.918 -4.570 -1.197 1.00 4.21 H new ATOM 0 HE3 LYS A 615 -9.504 -5.828 -2.267 1.00 4.21 H new ATOM 0 HZ1 LYS A 615 -9.729 -6.541 -0.009 1.00 63.43 H new ATOM 0 HZ2 LYS A 615 -8.520 -7.485 -0.737 1.00 63.43 H new ATOM 0 HZ3 LYS A 615 -8.094 -6.229 0.323 1.00 63.43 H new ATOM 254 N ARG A 616 -6.023 -3.711 -6.167 1.00 50.22 N ATOM 255 CA ARG A 616 -5.059 -4.246 -7.120 1.00 72.43 C ATOM 256 C ARG A 616 -4.295 -3.121 -7.813 1.00 33.14 C ATOM 257 O ARG A 616 -3.102 -3.244 -8.085 1.00 22.20 O ATOM 258 CB ARG A 616 -5.768 -5.112 -8.163 1.00 61.44 C ATOM 259 CG ARG A 616 -5.727 -4.531 -9.567 1.00 74.14 C ATOM 260 CD ARG A 616 -6.335 -5.486 -10.583 1.00 65.43 C ATOM 261 NE ARG A 616 -5.569 -6.724 -10.696 1.00 71.44 N ATOM 262 CZ ARG A 616 -5.800 -7.650 -11.622 1.00 4.55 C ATOM 263 NH1 ARG A 616 -6.769 -7.476 -12.510 1.00 21.13 N ATOM 264 NH2 ARG A 616 -5.060 -8.751 -11.660 1.00 12.30 N ATOM 0 H ARG A 616 -6.972 -4.066 -6.283 1.00 50.22 H new ATOM 0 HA ARG A 616 -4.346 -4.860 -6.570 1.00 72.43 H new ATOM 0 HB2 ARG A 616 -5.309 -6.101 -8.175 1.00 61.44 H new ATOM 0 HB3 ARG A 616 -6.808 -5.247 -7.865 1.00 61.44 H new ATOM 0 HG2 ARG A 616 -6.268 -3.585 -9.586 1.00 74.14 H new ATOM 0 HG3 ARG A 616 -4.695 -4.314 -9.842 1.00 74.14 H new ATOM 0 HD2 ARG A 616 -7.360 -5.719 -10.294 1.00 65.43 H new ATOM 0 HD3 ARG A 616 -6.382 -4.998 -11.557 1.00 65.43 H new ATOM 0 HE ARG A 616 -4.816 -6.887 -10.028 1.00 71.44 H new ATOM 0 HH11 ARG A 616 -7.339 -6.631 -12.484 1.00 21.13 H new ATOM 0 HH12 ARG A 616 -6.944 -8.188 -13.219 1.00 21.13 H new ATOM 0 HH21 ARG A 616 -4.313 -8.887 -10.979 1.00 12.30 H new ATOM 0 HH22 ARG A 616 -5.238 -9.461 -12.371 1.00 12.30 H new ATOM 278 N GLN A 617 -4.994 -2.025 -8.094 1.00 3.33 N ATOM 279 CA GLN A 617 -4.381 -0.878 -8.755 1.00 70.21 C ATOM 280 C GLN A 617 -3.417 -0.159 -7.817 1.00 32.42 C ATOM 281 O GLN A 617 -2.378 0.343 -8.244 1.00 25.24 O ATOM 282 CB GLN A 617 -5.459 0.092 -9.240 1.00 54.24 C ATOM 283 CG GLN A 617 -5.217 0.618 -10.645 1.00 63.03 C ATOM 284 CD GLN A 617 -5.387 2.121 -10.744 1.00 71.15 C ATOM 285 OE1 GLN A 617 -6.253 2.703 -10.091 1.00 50.24 O ATOM 286 NE2 GLN A 617 -4.560 2.758 -11.565 1.00 41.24 N ATOM 0 H GLN A 617 -5.983 -1.907 -7.875 1.00 3.33 H new ATOM 0 HA GLN A 617 -3.817 -1.243 -9.613 1.00 70.21 H new ATOM 0 HB2 GLN A 617 -6.427 -0.409 -9.210 1.00 54.24 H new ATOM 0 HB3 GLN A 617 -5.515 0.934 -8.550 1.00 54.24 H new ATOM 0 HG2 GLN A 617 -4.209 0.349 -10.961 1.00 63.03 H new ATOM 0 HG3 GLN A 617 -5.907 0.132 -11.334 1.00 63.03 H new ATOM 0 HE21 GLN A 617 -3.857 2.235 -12.087 1.00 41.24 H new ATOM 0 HE22 GLN A 617 -4.628 3.770 -11.673 1.00 41.24 H new ATOM 295 N LEU A 618 -3.770 -0.113 -6.536 1.00 61.42 N ATOM 296 CA LEU A 618 -2.936 0.545 -5.537 1.00 12.31 C ATOM 297 C LEU A 618 -1.499 0.040 -5.609 1.00 41.45 C ATOM 298 O LEU A 618 -0.552 0.823 -5.538 1.00 44.54 O ATOM 299 CB LEU A 618 -3.502 0.307 -4.136 1.00 13.13 C ATOM 300 CG LEU A 618 -4.929 0.802 -3.896 1.00 10.22 C ATOM 301 CD1 LEU A 618 -5.393 0.433 -2.495 1.00 24.12 C ATOM 302 CD2 LEU A 618 -5.015 2.306 -4.109 1.00 22.01 C ATOM 0 H LEU A 618 -4.627 -0.523 -6.166 1.00 61.42 H new ATOM 0 HA LEU A 618 -2.937 1.615 -5.746 1.00 12.31 H new ATOM 0 HB2 LEU A 618 -3.470 -0.763 -3.930 1.00 13.13 H new ATOM 0 HB3 LEU A 618 -2.845 0.790 -3.413 1.00 13.13 H new ATOM 0 HG LEU A 618 -5.588 0.315 -4.615 1.00 10.22 H new ATOM 0 HD11 LEU A 618 -6.410 0.793 -2.342 1.00 24.12 H new ATOM 0 HD12 LEU A 618 -5.370 -0.650 -2.378 1.00 24.12 H new ATOM 0 HD13 LEU A 618 -4.731 0.892 -1.760 1.00 24.12 H new ATOM 0 HD21 LEU A 618 -6.038 2.640 -3.934 1.00 22.01 H new ATOM 0 HD22 LEU A 618 -4.344 2.811 -3.414 1.00 22.01 H new ATOM 0 HD23 LEU A 618 -4.725 2.546 -5.132 1.00 22.01 H new ATOM 314 N SER A 619 -1.344 -1.272 -5.753 1.00 2.11 N ATOM 315 CA SER A 619 -0.022 -1.882 -5.834 1.00 42.14 C ATOM 316 C SER A 619 0.701 -1.445 -7.105 1.00 2.21 C ATOM 317 O SER A 619 1.817 -0.925 -7.051 1.00 70.21 O ATOM 318 CB SER A 619 -0.136 -3.406 -5.798 1.00 34.32 C ATOM 319 OG SER A 619 1.062 -4.020 -6.241 1.00 51.42 O ATOM 0 H SER A 619 -2.118 -1.933 -5.816 1.00 2.11 H new ATOM 0 HA SER A 619 0.557 -1.548 -4.973 1.00 42.14 H new ATOM 0 HB2 SER A 619 -0.361 -3.733 -4.783 1.00 34.32 H new ATOM 0 HB3 SER A 619 -0.966 -3.726 -6.427 1.00 34.32 H new ATOM 0 HG SER A 619 0.962 -4.994 -6.206 1.00 51.42 H new ATOM 325 N LEU A 620 0.058 -1.659 -8.247 1.00 64.11 N ATOM 326 CA LEU A 620 0.638 -1.288 -9.533 1.00 31.22 C ATOM 327 C LEU A 620 0.982 0.198 -9.567 1.00 20.42 C ATOM 328 O LEU A 620 2.139 0.572 -9.755 1.00 5.53 O ATOM 329 CB LEU A 620 -0.331 -1.625 -10.668 1.00 65.22 C ATOM 330 CG LEU A 620 0.105 -1.200 -12.071 1.00 1.12 C ATOM 331 CD1 LEU A 620 0.608 -2.399 -12.860 1.00 51.30 C ATOM 332 CD2 LEU A 620 -1.043 -0.521 -12.802 1.00 42.34 C ATOM 0 H LEU A 620 -0.865 -2.088 -8.309 1.00 64.11 H new ATOM 0 HA LEU A 620 1.557 -1.858 -9.667 1.00 31.22 H new ATOM 0 HB2 LEU A 620 -0.495 -2.703 -10.671 1.00 65.22 H new ATOM 0 HB3 LEU A 620 -1.291 -1.157 -10.450 1.00 65.22 H new ATOM 0 HG LEU A 620 0.923 -0.485 -11.976 1.00 1.12 H new ATOM 0 HD11 LEU A 620 0.914 -2.077 -13.856 1.00 51.30 H new ATOM 0 HD12 LEU A 620 1.460 -2.842 -12.344 1.00 51.30 H new ATOM 0 HD13 LEU A 620 -0.189 -3.138 -12.946 1.00 51.30 H new ATOM 0 HD21 LEU A 620 -0.715 -0.225 -13.799 1.00 42.34 H new ATOM 0 HD22 LEU A 620 -1.881 -1.213 -12.886 1.00 42.34 H new ATOM 0 HD23 LEU A 620 -1.357 0.362 -12.246 1.00 42.34 H new ATOM 344 N ASP A 621 -0.030 1.037 -9.382 1.00 2.51 N ATOM 345 CA ASP A 621 0.166 2.483 -9.389 1.00 11.44 C ATOM 346 C ASP A 621 1.332 2.877 -8.488 1.00 11.04 C ATOM 347 O ASP A 621 2.319 3.452 -8.949 1.00 73.13 O ATOM 348 CB ASP A 621 -1.110 3.193 -8.932 1.00 50.11 C ATOM 349 CG ASP A 621 -1.489 4.344 -9.844 1.00 33.43 C ATOM 350 OD1 ASP A 621 -0.613 5.182 -10.137 1.00 41.53 O ATOM 351 OD2 ASP A 621 -2.664 4.403 -10.265 1.00 11.30 O ATOM 0 H ASP A 621 -0.994 0.742 -9.225 1.00 2.51 H new ATOM 0 HA ASP A 621 0.398 2.789 -10.409 1.00 11.44 H new ATOM 0 HB2 ASP A 621 -1.930 2.475 -8.898 1.00 50.11 H new ATOM 0 HB3 ASP A 621 -0.971 3.567 -7.918 1.00 50.11 H new ATOM 356 N ILE A 622 1.212 2.567 -7.202 1.00 72.41 N ATOM 357 CA ILE A 622 2.256 2.889 -6.237 1.00 72.53 C ATOM 358 C ILE A 622 3.603 2.322 -6.676 1.00 0.44 C ATOM 359 O ILE A 622 4.647 2.926 -6.437 1.00 4.14 O ATOM 360 CB ILE A 622 1.916 2.345 -4.836 1.00 53.55 C ATOM 361 CG1 ILE A 622 0.705 3.083 -4.261 1.00 11.14 C ATOM 362 CG2 ILE A 622 3.115 2.481 -3.910 1.00 62.11 C ATOM 363 CD1 ILE A 622 0.107 2.405 -3.048 1.00 14.21 C ATOM 0 H ILE A 622 0.402 2.093 -6.804 1.00 72.41 H new ATOM 0 HA ILE A 622 2.318 3.976 -6.190 1.00 72.53 H new ATOM 0 HB ILE A 622 1.667 1.287 -4.922 1.00 53.55 H new ATOM 0 HG12 ILE A 622 1.001 4.097 -3.992 1.00 11.14 H new ATOM 0 HG13 ILE A 622 -0.059 3.169 -5.034 1.00 11.14 H new ATOM 0 HG21 ILE A 622 2.859 2.093 -2.924 1.00 62.11 H new ATOM 0 HG22 ILE A 622 3.954 1.916 -4.316 1.00 62.11 H new ATOM 0 HG23 ILE A 622 3.392 3.532 -3.825 1.00 62.11 H new ATOM 0 HD11 ILE A 622 -0.747 2.982 -2.693 1.00 14.21 H new ATOM 0 HD12 ILE A 622 -0.220 1.401 -3.317 1.00 14.21 H new ATOM 0 HD13 ILE A 622 0.857 2.343 -2.259 1.00 14.21 H new ATOM 375 N ASN A 623 3.569 1.161 -7.320 1.00 72.32 N ATOM 376 CA ASN A 623 4.787 0.514 -7.794 1.00 60.12 C ATOM 377 C ASN A 623 5.405 1.297 -8.949 1.00 23.24 C ATOM 378 O ASN A 623 6.626 1.422 -9.045 1.00 5.03 O ATOM 379 CB ASN A 623 4.488 -0.919 -8.239 1.00 32.44 C ATOM 380 CG ASN A 623 5.505 -1.439 -9.236 1.00 63.30 C ATOM 381 OD1 ASN A 623 6.701 -1.173 -9.117 1.00 43.13 O ATOM 382 ND2 ASN A 623 5.033 -2.186 -10.227 1.00 72.34 N ATOM 0 H ASN A 623 2.712 0.648 -7.526 1.00 72.32 H new ATOM 0 HA ASN A 623 5.500 0.491 -6.970 1.00 60.12 H new ATOM 0 HB2 ASN A 623 4.472 -1.572 -7.366 1.00 32.44 H new ATOM 0 HB3 ASN A 623 3.494 -0.958 -8.684 1.00 32.44 H new ATOM 0 HD21 ASN A 623 5.670 -2.564 -10.928 1.00 72.34 H new ATOM 0 HD22 ASN A 623 4.034 -2.381 -10.287 1.00 72.34 H new ATOM 389 N LYS A 624 4.554 1.824 -9.822 1.00 61.30 N ATOM 390 CA LYS A 624 5.015 2.597 -10.970 1.00 31.23 C ATOM 391 C LYS A 624 5.433 4.001 -10.546 1.00 41.42 C ATOM 392 O LYS A 624 6.298 4.617 -11.171 1.00 72.44 O ATOM 393 CB LYS A 624 3.914 2.679 -12.030 1.00 25.14 C ATOM 394 CG LYS A 624 4.316 2.092 -13.371 1.00 63.42 C ATOM 395 CD LYS A 624 3.390 2.554 -14.483 1.00 3.01 C ATOM 396 CE LYS A 624 4.132 3.391 -15.514 1.00 74.13 C ATOM 397 NZ LYS A 624 4.811 2.543 -16.533 1.00 35.21 N ATOM 0 H LYS A 624 3.540 1.730 -9.757 1.00 61.30 H new ATOM 0 HA LYS A 624 5.882 2.091 -11.394 1.00 31.23 H new ATOM 0 HB2 LYS A 624 3.030 2.157 -11.665 1.00 25.14 H new ATOM 0 HB3 LYS A 624 3.633 3.723 -12.169 1.00 25.14 H new ATOM 0 HG2 LYS A 624 5.340 2.384 -13.604 1.00 63.42 H new ATOM 0 HG3 LYS A 624 4.300 1.004 -13.312 1.00 63.42 H new ATOM 0 HD2 LYS A 624 2.943 1.687 -14.970 1.00 3.01 H new ATOM 0 HD3 LYS A 624 2.573 3.138 -14.059 1.00 3.01 H new ATOM 0 HE2 LYS A 624 3.431 4.062 -16.009 1.00 74.13 H new ATOM 0 HE3 LYS A 624 4.870 4.016 -15.011 1.00 74.13 H new ATOM 0 HZ1 LYS A 624 5.305 3.151 -17.217 1.00 35.21 H new ATOM 0 HZ2 LYS A 624 5.499 1.920 -16.064 1.00 35.21 H new ATOM 0 HZ3 LYS A 624 4.104 1.965 -17.031 1.00 35.21 H new ATOM 411 N LEU A 625 4.817 4.502 -9.481 1.00 22.33 N ATOM 412 CA LEU A 625 5.128 5.833 -8.974 1.00 21.14 C ATOM 413 C LEU A 625 6.590 5.927 -8.548 1.00 34.50 C ATOM 414 O LEU A 625 7.253 4.922 -8.291 1.00 73.35 O ATOM 415 CB LEU A 625 4.219 6.175 -7.791 1.00 34.11 C ATOM 416 CG LEU A 625 2.818 6.674 -8.145 1.00 41.33 C ATOM 417 CD1 LEU A 625 1.995 6.891 -6.884 1.00 73.24 C ATOM 418 CD2 LEU A 625 2.899 7.958 -8.958 1.00 51.12 C ATOM 0 H LEU A 625 4.099 4.006 -8.952 1.00 22.33 H new ATOM 0 HA LEU A 625 4.956 6.549 -9.777 1.00 21.14 H new ATOM 0 HB2 LEU A 625 4.120 5.287 -7.166 1.00 34.11 H new ATOM 0 HB3 LEU A 625 4.713 6.937 -7.187 1.00 34.11 H new ATOM 0 HG LEU A 625 2.324 5.914 -8.751 1.00 41.33 H new ATOM 0 HD11 LEU A 625 1.001 7.246 -7.155 1.00 73.24 H new ATOM 0 HD12 LEU A 625 1.909 5.951 -6.340 1.00 73.24 H new ATOM 0 HD13 LEU A 625 2.485 7.632 -6.253 1.00 73.24 H new ATOM 0 HD21 LEU A 625 1.893 8.299 -9.201 1.00 51.12 H new ATOM 0 HD22 LEU A 625 3.411 8.725 -8.377 1.00 51.12 H new ATOM 0 HD23 LEU A 625 3.451 7.771 -9.879 1.00 51.12 H new ATOM 430 N PRO A 626 7.106 7.163 -8.470 1.00 60.52 N ATOM 431 CA PRO A 626 8.494 7.417 -8.074 1.00 20.35 C ATOM 432 C PRO A 626 8.741 7.114 -6.600 1.00 2.43 C ATOM 433 O PRO A 626 7.801 6.985 -5.817 1.00 21.33 O ATOM 434 CB PRO A 626 8.673 8.911 -8.351 1.00 4.44 C ATOM 435 CG PRO A 626 7.300 9.481 -8.264 1.00 34.42 C ATOM 436 CD PRO A 626 6.374 8.407 -8.763 1.00 22.41 C ATOM 0 HA PRO A 626 9.196 6.782 -8.615 1.00 20.35 H new ATOM 0 HB2 PRO A 626 9.339 9.371 -7.622 1.00 4.44 H new ATOM 0 HB3 PRO A 626 9.110 9.081 -9.335 1.00 4.44 H new ATOM 0 HG2 PRO A 626 7.057 9.760 -7.239 1.00 34.42 H new ATOM 0 HG3 PRO A 626 7.213 10.383 -8.869 1.00 34.42 H new ATOM 0 HD2 PRO A 626 5.412 8.437 -8.252 1.00 22.41 H new ATOM 0 HD3 PRO A 626 6.173 8.513 -9.829 1.00 22.41 H new ATOM 444 N GLY A 627 10.012 7.005 -6.228 1.00 3.13 N ATOM 445 CA GLY A 627 10.360 6.719 -4.847 1.00 55.41 C ATOM 446 C GLY A 627 9.694 7.672 -3.873 1.00 25.21 C ATOM 447 O GLY A 627 9.170 7.250 -2.844 1.00 25.23 O ATOM 0 H GLY A 627 10.808 7.109 -6.857 1.00 3.13 H new ATOM 0 HA2 GLY A 627 10.069 5.696 -4.606 1.00 55.41 H new ATOM 0 HA3 GLY A 627 11.442 6.779 -4.728 1.00 55.41 H new ATOM 451 N GLU A 628 9.717 8.960 -4.199 1.00 45.41 N ATOM 452 CA GLU A 628 9.115 9.975 -3.342 1.00 55.24 C ATOM 453 C GLU A 628 7.689 9.586 -2.960 1.00 25.00 C ATOM 454 O GLU A 628 7.258 9.801 -1.827 1.00 73.24 O ATOM 455 CB GLU A 628 9.112 11.333 -4.047 1.00 25.00 C ATOM 456 CG GLU A 628 8.810 12.499 -3.121 1.00 1.41 C ATOM 457 CD GLU A 628 9.616 13.737 -3.460 1.00 3.34 C ATOM 458 OE1 GLU A 628 9.977 13.907 -4.643 1.00 32.42 O ATOM 459 OE2 GLU A 628 9.888 14.538 -2.540 1.00 14.43 O ATOM 0 H GLU A 628 10.145 9.325 -5.049 1.00 45.41 H new ATOM 0 HA GLU A 628 9.711 10.047 -2.432 1.00 55.24 H new ATOM 0 HB2 GLU A 628 10.084 11.493 -4.513 1.00 25.00 H new ATOM 0 HB3 GLU A 628 8.373 11.315 -4.848 1.00 25.00 H new ATOM 0 HG2 GLU A 628 7.747 12.736 -3.176 1.00 1.41 H new ATOM 0 HG3 GLU A 628 9.019 12.205 -2.092 1.00 1.41 H new ATOM 466 N LYS A 629 6.962 9.014 -3.913 1.00 22.40 N ATOM 467 CA LYS A 629 5.586 8.593 -3.678 1.00 43.31 C ATOM 468 C LYS A 629 5.538 7.382 -2.752 1.00 53.30 C ATOM 469 O LYS A 629 4.683 7.297 -1.869 1.00 12.11 O ATOM 470 CB LYS A 629 4.898 8.262 -5.005 1.00 23.10 C ATOM 471 CG LYS A 629 3.964 9.353 -5.495 1.00 51.43 C ATOM 472 CD LYS A 629 2.818 9.585 -4.523 1.00 24.21 C ATOM 473 CE LYS A 629 2.987 10.894 -3.766 1.00 35.03 C ATOM 474 NZ LYS A 629 2.534 10.778 -2.351 1.00 45.52 N ATOM 0 H LYS A 629 7.303 8.831 -4.857 1.00 22.40 H new ATOM 0 HA LYS A 629 5.058 9.417 -3.198 1.00 43.31 H new ATOM 0 HB2 LYS A 629 5.659 8.080 -5.763 1.00 23.10 H new ATOM 0 HB3 LYS A 629 4.334 7.337 -4.891 1.00 23.10 H new ATOM 0 HG2 LYS A 629 4.523 10.279 -5.627 1.00 51.43 H new ATOM 0 HG3 LYS A 629 3.564 9.079 -6.471 1.00 51.43 H new ATOM 0 HD2 LYS A 629 1.874 9.598 -5.068 1.00 24.21 H new ATOM 0 HD3 LYS A 629 2.767 8.758 -3.815 1.00 24.21 H new ATOM 0 HE2 LYS A 629 4.035 11.194 -3.789 1.00 35.03 H new ATOM 0 HE3 LYS A 629 2.420 11.679 -4.266 1.00 35.03 H new ATOM 0 HZ1 LYS A 629 2.309 11.723 -1.980 1.00 45.52 H new ATOM 0 HZ2 LYS A 629 1.686 10.178 -2.306 1.00 45.52 H new ATOM 0 HZ3 LYS A 629 3.290 10.352 -1.778 1.00 45.52 H new ATOM 488 N LEU A 630 6.460 6.448 -2.957 1.00 12.44 N ATOM 489 CA LEU A 630 6.523 5.243 -2.138 1.00 41.23 C ATOM 490 C LEU A 630 6.703 5.593 -0.666 1.00 4.33 C ATOM 491 O LEU A 630 5.843 5.299 0.163 1.00 31.44 O ATOM 492 CB LEU A 630 7.671 4.346 -2.606 1.00 22.34 C ATOM 493 CG LEU A 630 7.294 2.911 -2.977 1.00 75.31 C ATOM 494 CD1 LEU A 630 7.780 2.577 -4.378 1.00 60.04 C ATOM 495 CD2 LEU A 630 7.864 1.930 -1.963 1.00 71.44 C ATOM 0 H LEU A 630 7.174 6.502 -3.683 1.00 12.44 H new ATOM 0 HA LEU A 630 5.581 4.707 -2.251 1.00 41.23 H new ATOM 0 HB2 LEU A 630 8.140 4.813 -3.472 1.00 22.34 H new ATOM 0 HB3 LEU A 630 8.422 4.311 -1.817 1.00 22.34 H new ATOM 0 HG LEU A 630 6.207 2.826 -2.962 1.00 75.31 H new ATOM 0 HD11 LEU A 630 7.503 1.552 -4.625 1.00 60.04 H new ATOM 0 HD12 LEU A 630 7.322 3.259 -5.094 1.00 60.04 H new ATOM 0 HD13 LEU A 630 8.864 2.680 -4.421 1.00 60.04 H new ATOM 0 HD21 LEU A 630 7.586 0.914 -2.243 1.00 71.44 H new ATOM 0 HD22 LEU A 630 8.950 2.016 -1.944 1.00 71.44 H new ATOM 0 HD23 LEU A 630 7.465 2.156 -0.974 1.00 71.44 H new ATOM 507 N GLY A 631 7.829 6.226 -0.346 1.00 13.11 N ATOM 508 CA GLY A 631 8.101 6.608 1.027 1.00 0.32 C ATOM 509 C GLY A 631 6.896 7.229 1.706 1.00 62.42 C ATOM 510 O GLY A 631 6.671 7.020 2.898 1.00 2.31 O ATOM 0 H GLY A 631 8.557 6.481 -1.014 1.00 13.11 H new ATOM 0 HA2 GLY A 631 8.418 5.730 1.589 1.00 0.32 H new ATOM 0 HA3 GLY A 631 8.930 7.316 1.047 1.00 0.32 H new ATOM 514 N ARG A 632 6.118 7.993 0.946 1.00 44.24 N ATOM 515 CA ARG A 632 4.932 8.648 1.482 1.00 34.22 C ATOM 516 C ARG A 632 3.802 7.643 1.686 1.00 70.14 C ATOM 517 O ARG A 632 3.238 7.538 2.775 1.00 3.45 O ATOM 518 CB ARG A 632 4.472 9.765 0.545 1.00 52.22 C ATOM 519 CG ARG A 632 4.839 11.158 1.030 1.00 42.42 C ATOM 520 CD ARG A 632 4.786 12.175 -0.100 1.00 65.52 C ATOM 521 NE ARG A 632 4.840 13.547 0.395 1.00 30.32 N ATOM 522 CZ ARG A 632 4.547 14.608 -0.347 1.00 53.41 C ATOM 523 NH1 ARG A 632 4.181 14.456 -1.613 1.00 22.15 N ATOM 524 NH2 ARG A 632 4.620 15.826 0.176 1.00 63.25 N ATOM 0 H ARG A 632 6.288 8.173 -0.043 1.00 44.24 H new ATOM 0 HA ARG A 632 5.192 9.079 2.449 1.00 34.22 H new ATOM 0 HB2 ARG A 632 4.911 9.605 -0.440 1.00 52.22 H new ATOM 0 HB3 ARG A 632 3.390 9.705 0.425 1.00 52.22 H new ATOM 0 HG2 ARG A 632 4.156 11.459 1.824 1.00 42.42 H new ATOM 0 HG3 ARG A 632 5.841 11.142 1.460 1.00 42.42 H new ATOM 0 HD2 ARG A 632 5.619 12.003 -0.782 1.00 65.52 H new ATOM 0 HD3 ARG A 632 3.870 12.032 -0.673 1.00 65.52 H new ATOM 0 HE ARG A 632 5.118 13.699 1.364 1.00 30.32 H new ATOM 0 HH11 ARG A 632 4.124 13.522 -2.019 1.00 22.15 H new ATOM 0 HH12 ARG A 632 3.956 15.273 -2.181 1.00 22.15 H new ATOM 0 HH21 ARG A 632 4.901 15.947 1.149 1.00 63.25 H new ATOM 0 HH22 ARG A 632 4.395 16.641 -0.395 1.00 63.25 H new ATOM 538 N VAL A 633 3.475 6.906 0.629 1.00 72.02 N ATOM 539 CA VAL A 633 2.413 5.909 0.691 1.00 33.30 C ATOM 540 C VAL A 633 2.758 4.799 1.677 1.00 60.41 C ATOM 541 O VAL A 633 2.009 4.532 2.616 1.00 21.14 O ATOM 542 CB VAL A 633 2.144 5.287 -0.692 1.00 11.34 C ATOM 543 CG1 VAL A 633 1.055 4.229 -0.600 1.00 41.52 C ATOM 544 CG2 VAL A 633 1.766 6.367 -1.696 1.00 63.41 C ATOM 0 H VAL A 633 3.931 6.981 -0.281 1.00 72.02 H new ATOM 0 HA VAL A 633 1.515 6.425 1.029 1.00 33.30 H new ATOM 0 HB VAL A 633 3.058 4.804 -1.038 1.00 11.34 H new ATOM 0 HG11 VAL A 633 0.879 3.801 -1.587 1.00 41.52 H new ATOM 0 HG12 VAL A 633 1.369 3.442 0.086 1.00 41.52 H new ATOM 0 HG13 VAL A 633 0.135 4.684 -0.233 1.00 41.52 H new ATOM 0 HG21 VAL A 633 1.579 5.911 -2.668 1.00 63.41 H new ATOM 0 HG22 VAL A 633 0.866 6.880 -1.357 1.00 63.41 H new ATOM 0 HG23 VAL A 633 2.582 7.085 -1.783 1.00 63.41 H new ATOM 554 N VAL A 634 3.899 4.153 1.455 1.00 4.14 N ATOM 555 CA VAL A 634 4.346 3.071 2.325 1.00 42.21 C ATOM 556 C VAL A 634 4.270 3.478 3.793 1.00 41.22 C ATOM 557 O VAL A 634 4.018 2.648 4.666 1.00 62.41 O ATOM 558 CB VAL A 634 5.791 2.648 1.996 1.00 34.24 C ATOM 559 CG1 VAL A 634 5.931 2.333 0.515 1.00 73.24 C ATOM 560 CG2 VAL A 634 6.772 3.732 2.415 1.00 52.13 C ATOM 0 H VAL A 634 4.530 4.360 0.681 1.00 4.14 H new ATOM 0 HA VAL A 634 3.678 2.228 2.150 1.00 42.21 H new ATOM 0 HB VAL A 634 6.023 1.744 2.558 1.00 34.24 H new ATOM 0 HG11 VAL A 634 6.958 2.036 0.302 1.00 73.24 H new ATOM 0 HG12 VAL A 634 5.256 1.519 0.251 1.00 73.24 H new ATOM 0 HG13 VAL A 634 5.680 3.217 -0.070 1.00 73.24 H new ATOM 0 HG21 VAL A 634 7.787 3.416 2.175 1.00 52.13 H new ATOM 0 HG22 VAL A 634 6.544 4.655 1.882 1.00 52.13 H new ATOM 0 HG23 VAL A 634 6.689 3.903 3.488 1.00 52.13 H new ATOM 570 N HIS A 635 4.488 4.762 4.057 1.00 1.55 N ATOM 571 CA HIS A 635 4.442 5.281 5.419 1.00 12.04 C ATOM 572 C HIS A 635 3.024 5.213 5.979 1.00 20.13 C ATOM 573 O HIS A 635 2.826 4.921 7.159 1.00 73.43 O ATOM 574 CB HIS A 635 4.949 6.723 5.457 1.00 34.30 C ATOM 575 CG HIS A 635 4.857 7.356 6.811 1.00 62.01 C ATOM 576 ND1 HIS A 635 5.852 7.252 7.759 1.00 1.30 N ATOM 577 CD2 HIS A 635 3.880 8.105 7.373 1.00 53.31 C ATOM 578 CE1 HIS A 635 5.491 7.909 8.847 1.00 72.10 C ATOM 579 NE2 HIS A 635 4.298 8.436 8.639 1.00 61.21 N ATOM 0 H HIS A 635 4.698 5.462 3.346 1.00 1.55 H new ATOM 0 HA HIS A 635 5.089 4.661 6.039 1.00 12.04 H new ATOM 0 HB2 HIS A 635 5.987 6.743 5.126 1.00 34.30 H new ATOM 0 HB3 HIS A 635 4.376 7.319 4.747 1.00 34.30 H new ATOM 0 HD2 HIS A 635 2.946 8.390 6.912 1.00 53.31 H new ATOM 0 HE1 HIS A 635 6.073 8.000 9.752 1.00 72.10 H new ATOM 0 HE2 HIS A 635 3.773 8.997 9.309 1.00 61.21 H new ATOM 587 N ILE A 636 2.043 5.486 5.127 1.00 44.22 N ATOM 588 CA ILE A 636 0.645 5.456 5.537 1.00 53.25 C ATOM 589 C ILE A 636 0.233 4.057 5.985 1.00 43.45 C ATOM 590 O ILE A 636 -0.391 3.889 7.032 1.00 11.12 O ATOM 591 CB ILE A 636 -0.286 5.913 4.398 1.00 63.54 C ATOM 592 CG1 ILE A 636 0.321 7.109 3.662 1.00 2.00 C ATOM 593 CG2 ILE A 636 -1.661 6.262 4.945 1.00 11.53 C ATOM 594 CD1 ILE A 636 -0.671 7.850 2.793 1.00 43.34 C ATOM 0 H ILE A 636 2.190 5.731 4.148 1.00 44.22 H new ATOM 0 HA ILE A 636 0.547 6.147 6.374 1.00 53.25 H new ATOM 0 HB ILE A 636 -0.397 5.093 3.689 1.00 63.54 H new ATOM 0 HG12 ILE A 636 0.739 7.801 4.393 1.00 2.00 H new ATOM 0 HG13 ILE A 636 1.147 6.762 3.042 1.00 2.00 H new ATOM 0 HG21 ILE A 636 -2.307 6.583 4.128 1.00 11.53 H new ATOM 0 HG22 ILE A 636 -2.094 5.385 5.427 1.00 11.53 H new ATOM 0 HG23 ILE A 636 -1.569 7.068 5.673 1.00 11.53 H new ATOM 0 HD11 ILE A 636 -0.172 8.685 2.302 1.00 43.34 H new ATOM 0 HD12 ILE A 636 -1.071 7.172 2.039 1.00 43.34 H new ATOM 0 HD13 ILE A 636 -1.486 8.227 3.411 1.00 43.34 H new ATOM 606 N ILE A 637 0.589 3.057 5.185 1.00 1.42 N ATOM 607 CA ILE A 637 0.260 1.673 5.501 1.00 11.22 C ATOM 608 C ILE A 637 0.753 1.296 6.894 1.00 21.44 C ATOM 609 O ILE A 637 -0.044 1.007 7.786 1.00 23.44 O ATOM 610 CB ILE A 637 0.867 0.701 4.473 1.00 43.11 C ATOM 611 CG1 ILE A 637 0.407 1.067 3.060 1.00 65.22 C ATOM 612 CG2 ILE A 637 0.482 -0.732 4.806 1.00 22.12 C ATOM 613 CD1 ILE A 637 0.703 -0.003 2.032 1.00 20.01 C ATOM 0 H ILE A 637 1.105 3.180 4.314 1.00 1.42 H new ATOM 0 HA ILE A 637 -0.826 1.591 5.468 1.00 11.22 H new ATOM 0 HB ILE A 637 1.953 0.783 4.515 1.00 43.11 H new ATOM 0 HG12 ILE A 637 -0.666 1.259 3.074 1.00 65.22 H new ATOM 0 HG13 ILE A 637 0.893 1.995 2.757 1.00 65.22 H new ATOM 0 HG21 ILE A 637 0.919 -1.407 4.070 1.00 22.12 H new ATOM 0 HG22 ILE A 637 0.854 -0.988 5.798 1.00 22.12 H new ATOM 0 HG23 ILE A 637 -0.603 -0.830 4.789 1.00 22.12 H new ATOM 0 HD11 ILE A 637 0.350 0.324 1.054 1.00 20.01 H new ATOM 0 HD12 ILE A 637 1.778 -0.179 1.989 1.00 20.01 H new ATOM 0 HD13 ILE A 637 0.195 -0.926 2.311 1.00 20.01 H new ATOM 625 N GLN A 638 2.069 1.301 7.071 1.00 3.44 N ATOM 626 CA GLN A 638 2.669 0.960 8.357 1.00 54.44 C ATOM 627 C GLN A 638 2.080 1.813 9.476 1.00 42.24 C ATOM 628 O GLN A 638 2.089 1.418 10.641 1.00 35.51 O ATOM 629 CB GLN A 638 4.186 1.146 8.301 1.00 1.35 C ATOM 630 CG GLN A 638 4.612 2.541 7.875 1.00 5.54 C ATOM 631 CD GLN A 638 6.119 2.706 7.844 1.00 11.35 C ATOM 632 OE1 GLN A 638 6.725 3.172 8.809 1.00 1.33 O ATOM 633 NE2 GLN A 638 6.733 2.325 6.731 1.00 61.44 N ATOM 0 H GLN A 638 2.741 1.537 6.341 1.00 3.44 H new ATOM 0 HA GLN A 638 2.446 -0.086 8.568 1.00 54.44 H new ATOM 0 HB2 GLN A 638 4.607 0.931 9.283 1.00 1.35 H new ATOM 0 HB3 GLN A 638 4.608 0.419 7.607 1.00 1.35 H new ATOM 0 HG2 GLN A 638 4.206 2.755 6.886 1.00 5.54 H new ATOM 0 HG3 GLN A 638 4.184 3.273 8.560 1.00 5.54 H new ATOM 0 HE21 GLN A 638 6.192 1.944 5.955 1.00 61.44 H new ATOM 0 HE22 GLN A 638 7.746 2.413 6.652 1.00 61.44 H new ATOM 642 N SER A 639 1.570 2.986 9.113 1.00 71.13 N ATOM 643 CA SER A 639 0.980 3.897 10.087 1.00 63.14 C ATOM 644 C SER A 639 -0.335 3.341 10.625 1.00 5.21 C ATOM 645 O SER A 639 -0.661 3.516 11.799 1.00 11.21 O ATOM 646 CB SER A 639 0.746 5.271 9.455 1.00 20.30 C ATOM 647 OG SER A 639 -0.578 5.720 9.688 1.00 63.11 O ATOM 0 H SER A 639 1.554 3.327 8.152 1.00 71.13 H new ATOM 0 HA SER A 639 1.677 4.001 10.919 1.00 63.14 H new ATOM 0 HB2 SER A 639 1.455 5.990 9.866 1.00 20.30 H new ATOM 0 HB3 SER A 639 0.932 5.218 8.382 1.00 20.30 H new ATOM 0 HG SER A 639 -0.702 6.600 9.276 1.00 63.11 H new ATOM 653 N ARG A 640 -1.085 2.670 9.757 1.00 74.43 N ATOM 654 CA ARG A 640 -2.365 2.088 10.143 1.00 12.03 C ATOM 655 C ARG A 640 -2.320 0.566 10.055 1.00 65.11 C ATOM 656 O ARG A 640 -3.357 -0.095 10.027 1.00 55.32 O ATOM 657 CB ARG A 640 -3.485 2.629 9.252 1.00 31.20 C ATOM 658 CG ARG A 640 -4.217 3.820 9.849 1.00 34.43 C ATOM 659 CD ARG A 640 -4.513 4.876 8.797 1.00 43.14 C ATOM 660 NE ARG A 640 -5.176 6.046 9.367 1.00 43.12 N ATOM 661 CZ ARG A 640 -5.227 7.229 8.763 1.00 23.41 C ATOM 662 NH1 ARG A 640 -4.659 7.396 7.578 1.00 43.42 N ATOM 663 NH2 ARG A 640 -5.849 8.245 9.346 1.00 5.30 N ATOM 0 H ARG A 640 -0.828 2.516 8.782 1.00 74.43 H new ATOM 0 HA ARG A 640 -2.565 2.368 11.177 1.00 12.03 H new ATOM 0 HB2 ARG A 640 -3.064 2.918 8.289 1.00 31.20 H new ATOM 0 HB3 ARG A 640 -4.203 1.831 9.060 1.00 31.20 H new ATOM 0 HG2 ARG A 640 -5.150 3.485 10.302 1.00 34.43 H new ATOM 0 HG3 ARG A 640 -3.614 4.257 10.645 1.00 34.43 H new ATOM 0 HD2 ARG A 640 -3.582 5.183 8.320 1.00 43.14 H new ATOM 0 HD3 ARG A 640 -5.143 4.446 8.019 1.00 43.14 H new ATOM 0 HE ARG A 640 -5.624 5.950 10.278 1.00 43.12 H new ATOM 0 HH11 ARG A 640 -4.181 6.616 7.127 1.00 43.42 H new ATOM 0 HH12 ARG A 640 -4.700 8.305 7.117 1.00 43.42 H new ATOM 0 HH21 ARG A 640 -6.288 8.119 10.258 1.00 5.30 H new ATOM 0 HH22 ARG A 640 -5.888 9.153 8.883 1.00 5.30 H new ATOM 677 N GLU A 641 -1.110 0.016 10.010 1.00 1.03 N ATOM 678 CA GLU A 641 -0.931 -1.428 9.924 1.00 63.22 C ATOM 679 C GLU A 641 -0.370 -1.987 11.228 1.00 10.41 C ATOM 680 O GLU A 641 0.837 -1.982 11.467 1.00 5.33 O ATOM 681 CB GLU A 641 0.004 -1.779 8.763 1.00 33.41 C ATOM 682 CG GLU A 641 0.223 -3.273 8.589 1.00 0.13 C ATOM 683 CD GLU A 641 0.716 -3.632 7.201 1.00 52.11 C ATOM 684 OE1 GLU A 641 1.576 -2.899 6.670 1.00 65.22 O ATOM 685 OE2 GLU A 641 0.240 -4.645 6.646 1.00 43.35 O ATOM 0 H GLU A 641 -0.240 0.549 10.032 1.00 1.03 H new ATOM 0 HA GLU A 641 -1.907 -1.879 9.746 1.00 63.22 H new ATOM 0 HB2 GLU A 641 -0.407 -1.371 7.840 1.00 33.41 H new ATOM 0 HB3 GLU A 641 0.967 -1.295 8.924 1.00 33.41 H new ATOM 0 HG2 GLU A 641 0.946 -3.619 9.328 1.00 0.13 H new ATOM 0 HG3 GLU A 641 -0.711 -3.799 8.786 1.00 0.13 H new ATOM 797 N PRO A 649 12.738 -0.545 10.398 1.00 61.14 N ATOM 798 CA PRO A 649 11.860 0.424 9.736 1.00 55.22 C ATOM 799 C PRO A 649 12.075 0.465 8.226 1.00 2.12 C ATOM 800 O PRO A 649 11.318 1.108 7.499 1.00 32.32 O ATOM 801 CB PRO A 649 12.262 1.758 10.369 1.00 50.30 C ATOM 802 CG PRO A 649 13.668 1.557 10.818 1.00 62.44 C ATOM 803 CD PRO A 649 13.772 0.110 11.217 1.00 40.43 C ATOM 0 HA PRO A 649 10.807 0.175 9.867 1.00 55.22 H new ATOM 0 HB2 PRO A 649 12.189 2.575 9.651 1.00 50.30 H new ATOM 0 HB3 PRO A 649 11.611 2.011 11.206 1.00 50.30 H new ATOM 0 HG2 PRO A 649 14.371 1.793 10.019 1.00 62.44 H new ATOM 0 HG3 PRO A 649 13.907 2.211 11.656 1.00 62.44 H new ATOM 0 HD2 PRO A 649 14.763 -0.293 11.011 1.00 40.43 H new ATOM 0 HD3 PRO A 649 13.587 -0.027 12.282 1.00 40.43 H new ATOM 811 N ASP A 650 13.112 -0.225 7.763 1.00 54.43 N ATOM 812 CA ASP A 650 13.425 -0.268 6.339 1.00 4.32 C ATOM 813 C ASP A 650 12.756 -1.466 5.672 1.00 64.14 C ATOM 814 O ASP A 650 13.201 -1.931 4.623 1.00 74.40 O ATOM 815 CB ASP A 650 14.939 -0.332 6.131 1.00 43.42 C ATOM 816 CG ASP A 650 15.711 0.145 7.346 1.00 62.55 C ATOM 817 OD1 ASP A 650 15.700 1.364 7.617 1.00 71.45 O ATOM 818 OD2 ASP A 650 16.327 -0.702 8.026 1.00 73.21 O ATOM 0 H ASP A 650 13.749 -0.761 8.352 1.00 54.43 H new ATOM 0 HA ASP A 650 13.041 0.642 5.879 1.00 4.32 H new ATOM 0 HB2 ASP A 650 15.228 -1.357 5.900 1.00 43.42 H new ATOM 0 HB3 ASP A 650 15.211 0.278 5.269 1.00 43.42 H new ATOM 823 N GLU A 651 11.688 -1.960 6.288 1.00 32.32 N ATOM 824 CA GLU A 651 10.961 -3.106 5.754 1.00 14.13 C ATOM 825 C GLU A 651 9.465 -2.979 6.035 1.00 2.20 C ATOM 826 O GLU A 651 9.059 -2.629 7.143 1.00 62.24 O ATOM 827 CB GLU A 651 11.496 -4.406 6.359 1.00 53.50 C ATOM 828 CG GLU A 651 10.835 -5.654 5.798 1.00 64.10 C ATOM 829 CD GLU A 651 11.617 -6.916 6.108 1.00 3.01 C ATOM 830 OE1 GLU A 651 12.720 -7.085 5.546 1.00 34.23 O ATOM 831 OE2 GLU A 651 11.126 -7.734 6.914 1.00 70.52 O ATOM 0 H GLU A 651 11.307 -1.585 7.157 1.00 32.32 H new ATOM 0 HA GLU A 651 11.111 -3.128 4.675 1.00 14.13 H new ATOM 0 HB2 GLU A 651 12.570 -4.464 6.184 1.00 53.50 H new ATOM 0 HB3 GLU A 651 11.350 -4.382 7.439 1.00 53.50 H new ATOM 0 HG2 GLU A 651 9.829 -5.744 6.208 1.00 64.10 H new ATOM 0 HG3 GLU A 651 10.731 -5.551 4.718 1.00 64.10 H new ATOM 838 N ILE A 652 8.653 -3.266 5.022 1.00 3.35 N ATOM 839 CA ILE A 652 7.204 -3.185 5.160 1.00 43.10 C ATOM 840 C ILE A 652 6.520 -4.362 4.474 1.00 63.30 C ATOM 841 O ILE A 652 6.932 -4.789 3.395 1.00 50.32 O ATOM 842 CB ILE A 652 6.655 -1.872 4.571 1.00 24.22 C ATOM 843 CG1 ILE A 652 5.684 -1.214 5.553 1.00 12.11 C ATOM 844 CG2 ILE A 652 5.972 -2.135 3.238 1.00 63.32 C ATOM 845 CD1 ILE A 652 4.856 -0.110 4.934 1.00 32.24 C ATOM 0 H ILE A 652 8.974 -3.556 4.098 1.00 3.35 H new ATOM 0 HA ILE A 652 6.987 -3.214 6.228 1.00 43.10 H new ATOM 0 HB ILE A 652 7.488 -1.190 4.402 1.00 24.22 H new ATOM 0 HG12 ILE A 652 5.016 -1.975 5.957 1.00 12.11 H new ATOM 0 HG13 ILE A 652 6.248 -0.807 6.392 1.00 12.11 H new ATOM 0 HG21 ILE A 652 5.589 -1.198 2.834 1.00 63.32 H new ATOM 0 HG22 ILE A 652 6.690 -2.565 2.540 1.00 63.32 H new ATOM 0 HG23 ILE A 652 5.146 -2.832 3.383 1.00 63.32 H new ATOM 0 HD11 ILE A 652 4.190 0.311 5.687 1.00 32.24 H new ATOM 0 HD12 ILE A 652 5.516 0.671 4.555 1.00 32.24 H new ATOM 0 HD13 ILE A 652 4.265 -0.515 4.113 1.00 32.24 H new ATOM 857 N GLU A 653 5.473 -4.882 5.106 1.00 71.21 N ATOM 858 CA GLU A 653 4.731 -6.010 4.555 1.00 63.23 C ATOM 859 C GLU A 653 3.273 -5.635 4.311 1.00 34.51 C ATOM 860 O GLU A 653 2.454 -5.653 5.231 1.00 3.23 O ATOM 861 CB GLU A 653 4.809 -7.212 5.499 1.00 4.32 C ATOM 862 CG GLU A 653 4.073 -8.437 4.987 1.00 71.31 C ATOM 863 CD GLU A 653 3.637 -9.365 6.104 1.00 31.10 C ATOM 864 OE1 GLU A 653 4.454 -10.210 6.528 1.00 71.20 O ATOM 865 OE2 GLU A 653 2.478 -9.246 6.555 1.00 23.24 O ATOM 0 H GLU A 653 5.119 -4.540 6.000 1.00 71.21 H new ATOM 0 HA GLU A 653 5.184 -6.278 3.600 1.00 63.23 H new ATOM 0 HB2 GLU A 653 5.856 -7.469 5.661 1.00 4.32 H new ATOM 0 HB3 GLU A 653 4.397 -6.930 6.468 1.00 4.32 H new ATOM 0 HG2 GLU A 653 3.197 -8.120 4.421 1.00 71.31 H new ATOM 0 HG3 GLU A 653 4.718 -8.982 4.298 1.00 71.31 H new ATOM 872 N ILE A 654 2.955 -5.296 3.066 1.00 72.34 N ATOM 873 CA ILE A 654 1.595 -4.918 2.701 1.00 5.33 C ATOM 874 C ILE A 654 0.747 -6.146 2.394 1.00 74.15 C ATOM 875 O ILE A 654 0.952 -6.818 1.383 1.00 21.24 O ATOM 876 CB ILE A 654 1.581 -3.978 1.480 1.00 63.42 C ATOM 877 CG1 ILE A 654 2.600 -2.852 1.663 1.00 3.43 C ATOM 878 CG2 ILE A 654 0.187 -3.410 1.265 1.00 20.12 C ATOM 879 CD1 ILE A 654 2.775 -1.988 0.434 1.00 74.40 C ATOM 0 H ILE A 654 3.620 -5.275 2.293 1.00 72.34 H new ATOM 0 HA ILE A 654 1.172 -4.393 3.558 1.00 5.33 H new ATOM 0 HB ILE A 654 1.858 -4.552 0.596 1.00 63.42 H new ATOM 0 HG12 ILE A 654 2.289 -2.224 2.497 1.00 3.43 H new ATOM 0 HG13 ILE A 654 3.563 -3.285 1.932 1.00 3.43 H new ATOM 0 HG21 ILE A 654 0.193 -2.748 0.399 1.00 20.12 H new ATOM 0 HG22 ILE A 654 -0.516 -4.225 1.093 1.00 20.12 H new ATOM 0 HG23 ILE A 654 -0.117 -2.849 2.148 1.00 20.12 H new ATOM 0 HD11 ILE A 654 3.512 -1.211 0.637 1.00 74.40 H new ATOM 0 HD12 ILE A 654 3.117 -2.604 -0.398 1.00 74.40 H new ATOM 0 HD13 ILE A 654 1.822 -1.526 0.176 1.00 74.40 H new ATOM 891 N ASP A 655 -0.209 -6.432 3.271 1.00 2.15 N ATOM 892 CA ASP A 655 -1.092 -7.578 3.092 1.00 34.31 C ATOM 893 C ASP A 655 -2.556 -7.152 3.159 1.00 23.15 C ATOM 894 O ASP A 655 -3.160 -7.137 4.233 1.00 54.53 O ATOM 895 CB ASP A 655 -0.808 -8.639 4.157 1.00 62.44 C ATOM 896 CG ASP A 655 -1.424 -9.982 3.815 1.00 23.24 C ATOM 897 OD1 ASP A 655 -2.289 -10.027 2.916 1.00 52.00 O ATOM 898 OD2 ASP A 655 -1.038 -10.988 4.446 1.00 72.03 O ATOM 0 H ASP A 655 -0.392 -5.886 4.113 1.00 2.15 H new ATOM 0 HA ASP A 655 -0.900 -8.003 2.107 1.00 34.31 H new ATOM 0 HB2 ASP A 655 0.270 -8.755 4.271 1.00 62.44 H new ATOM 0 HB3 ASP A 655 -1.196 -8.299 5.117 1.00 62.44 H new ATOM 903 N PHE A 656 -3.120 -6.806 2.008 1.00 70.15 N ATOM 904 CA PHE A 656 -4.511 -6.378 1.935 1.00 14.04 C ATOM 905 C PHE A 656 -5.441 -7.455 2.486 1.00 52.42 C ATOM 906 O PHE A 656 -6.515 -7.155 3.006 1.00 35.33 O ATOM 907 CB PHE A 656 -4.892 -6.049 0.491 1.00 60.52 C ATOM 908 CG PHE A 656 -4.139 -4.880 -0.077 1.00 14.11 C ATOM 909 CD1 PHE A 656 -3.433 -4.025 0.754 1.00 52.43 C ATOM 910 CD2 PHE A 656 -4.140 -4.635 -1.441 1.00 2.01 C ATOM 911 CE1 PHE A 656 -2.739 -2.948 0.235 1.00 42.21 C ATOM 912 CE2 PHE A 656 -3.447 -3.560 -1.965 1.00 50.14 C ATOM 913 CZ PHE A 656 -2.747 -2.715 -1.126 1.00 12.31 C ATOM 0 H PHE A 656 -2.634 -6.814 1.111 1.00 70.15 H new ATOM 0 HA PHE A 656 -4.621 -5.481 2.545 1.00 14.04 H new ATOM 0 HB2 PHE A 656 -4.711 -6.925 -0.132 1.00 60.52 H new ATOM 0 HB3 PHE A 656 -5.961 -5.840 0.444 1.00 60.52 H new ATOM 0 HD1 PHE A 656 -3.425 -4.202 1.819 1.00 52.43 H new ATOM 0 HD2 PHE A 656 -4.688 -5.291 -2.101 1.00 2.01 H new ATOM 0 HE1 PHE A 656 -2.191 -2.290 0.893 1.00 42.21 H new ATOM 0 HE2 PHE A 656 -3.453 -3.381 -3.030 1.00 50.14 H new ATOM 0 HZ PHE A 656 -2.207 -1.873 -1.534 1.00 12.31 H new ATOM 923 N GLU A 657 -5.020 -8.710 2.366 1.00 53.04 N ATOM 924 CA GLU A 657 -5.816 -9.831 2.851 1.00 65.52 C ATOM 925 C GLU A 657 -6.237 -9.613 4.300 1.00 33.53 C ATOM 926 O GLU A 657 -7.294 -10.080 4.729 1.00 64.00 O ATOM 927 CB GLU A 657 -5.025 -11.136 2.729 1.00 61.31 C ATOM 928 CG GLU A 657 -5.901 -12.376 2.685 1.00 60.45 C ATOM 929 CD GLU A 657 -5.864 -13.164 3.980 1.00 73.33 C ATOM 930 OE1 GLU A 657 -4.769 -13.290 4.567 1.00 10.14 O ATOM 931 OE2 GLU A 657 -6.930 -13.654 4.406 1.00 33.52 O ATOM 0 H GLU A 657 -4.133 -8.976 1.938 1.00 53.04 H new ATOM 0 HA GLU A 657 -6.714 -9.899 2.237 1.00 65.52 H new ATOM 0 HB2 GLU A 657 -4.416 -11.099 1.826 1.00 61.31 H new ATOM 0 HB3 GLU A 657 -4.339 -11.216 3.572 1.00 61.31 H new ATOM 0 HG2 GLU A 657 -6.929 -12.082 2.472 1.00 60.45 H new ATOM 0 HG3 GLU A 657 -5.576 -13.017 1.865 1.00 60.45 H new ATOM 938 N THR A 658 -5.404 -8.901 5.053 1.00 74.44 N ATOM 939 CA THR A 658 -5.689 -8.623 6.454 1.00 12.53 C ATOM 940 C THR A 658 -5.842 -7.125 6.697 1.00 54.32 C ATOM 941 O THR A 658 -6.516 -6.704 7.638 1.00 1.21 O ATOM 942 CB THR A 658 -4.579 -9.168 7.372 1.00 2.12 C ATOM 943 OG1 THR A 658 -4.860 -8.829 8.735 1.00 3.33 O ATOM 944 CG2 THR A 658 -3.223 -8.608 6.974 1.00 42.25 C ATOM 0 H THR A 658 -4.526 -8.507 4.715 1.00 74.44 H new ATOM 0 HA THR A 658 -6.627 -9.126 6.691 1.00 12.53 H new ATOM 0 HB THR A 658 -4.551 -10.252 7.266 1.00 2.12 H new ATOM 0 HG1 THR A 658 -4.150 -9.180 9.312 1.00 3.33 H new ATOM 0 HG21 THR A 658 -2.456 -9.008 7.637 1.00 42.25 H new ATOM 0 HG22 THR A 658 -2.999 -8.893 5.946 1.00 42.25 H new ATOM 0 HG23 THR A 658 -3.241 -7.521 7.053 1.00 42.25 H new ATOM 952 N LEU A 659 -5.216 -6.325 5.842 1.00 72.42 N ATOM 953 CA LEU A 659 -5.284 -4.872 5.962 1.00 22.42 C ATOM 954 C LEU A 659 -6.732 -4.393 5.959 1.00 25.53 C ATOM 955 O LEU A 659 -7.620 -5.070 5.442 1.00 54.12 O ATOM 956 CB LEU A 659 -4.512 -4.210 4.820 1.00 40.30 C ATOM 957 CG LEU A 659 -3.463 -3.176 5.230 1.00 21.12 C ATOM 958 CD1 LEU A 659 -4.131 -1.934 5.798 1.00 42.23 C ATOM 959 CD2 LEU A 659 -2.493 -3.772 6.240 1.00 1.31 C ATOM 0 H LEU A 659 -4.655 -6.657 5.057 1.00 72.42 H new ATOM 0 HA LEU A 659 -4.829 -4.588 6.911 1.00 22.42 H new ATOM 0 HB2 LEU A 659 -4.017 -4.991 4.242 1.00 40.30 H new ATOM 0 HB3 LEU A 659 -5.229 -3.727 4.156 1.00 40.30 H new ATOM 0 HG LEU A 659 -2.900 -2.886 4.343 1.00 21.12 H new ATOM 0 HD11 LEU A 659 -3.369 -1.209 6.084 1.00 42.23 H new ATOM 0 HD12 LEU A 659 -4.784 -1.495 5.044 1.00 42.23 H new ATOM 0 HD13 LEU A 659 -4.720 -2.206 6.674 1.00 42.23 H new ATOM 0 HD21 LEU A 659 -1.753 -3.022 6.521 1.00 1.31 H new ATOM 0 HD22 LEU A 659 -3.041 -4.091 7.127 1.00 1.31 H new ATOM 0 HD23 LEU A 659 -1.989 -4.631 5.797 1.00 1.31 H new ATOM 971 N LYS A 660 -6.962 -3.220 6.538 1.00 55.12 N ATOM 972 CA LYS A 660 -8.301 -2.647 6.600 1.00 42.52 C ATOM 973 C LYS A 660 -8.586 -1.797 5.365 1.00 15.10 C ATOM 974 O LYS A 660 -7.680 -1.390 4.638 1.00 20.22 O ATOM 975 CB LYS A 660 -8.457 -1.796 7.863 1.00 70.24 C ATOM 976 CG LYS A 660 -9.080 -2.547 9.028 1.00 41.42 C ATOM 977 CD LYS A 660 -9.025 -1.733 10.309 1.00 51.33 C ATOM 978 CE LYS A 660 -7.750 -2.010 11.091 1.00 42.24 C ATOM 979 NZ LYS A 660 -8.014 -2.821 12.311 1.00 21.22 N ATOM 0 H LYS A 660 -6.238 -2.647 6.971 1.00 55.12 H new ATOM 0 HA LYS A 660 -9.019 -3.467 6.631 1.00 42.52 H new ATOM 0 HB2 LYS A 660 -7.478 -1.423 8.163 1.00 70.24 H new ATOM 0 HB3 LYS A 660 -9.072 -0.926 7.632 1.00 70.24 H new ATOM 0 HG2 LYS A 660 -10.117 -2.789 8.794 1.00 41.42 H new ATOM 0 HG3 LYS A 660 -8.557 -3.492 9.174 1.00 41.42 H new ATOM 0 HD2 LYS A 660 -9.083 -0.671 10.069 1.00 51.33 H new ATOM 0 HD3 LYS A 660 -9.891 -1.968 10.928 1.00 51.33 H new ATOM 0 HE2 LYS A 660 -7.039 -2.535 10.453 1.00 42.24 H new ATOM 0 HE3 LYS A 660 -7.286 -1.066 11.376 1.00 42.24 H new ATOM 0 HZ1 LYS A 660 -7.121 -2.988 12.817 1.00 21.22 H new ATOM 0 HZ2 LYS A 660 -8.673 -2.309 12.932 1.00 21.22 H new ATOM 0 HZ3 LYS A 660 -8.433 -3.733 12.038 1.00 21.22 H new ATOM 993 N PRO A 661 -9.877 -1.521 5.121 1.00 62.44 N ATOM 994 CA PRO A 661 -10.310 -0.716 3.975 1.00 13.43 C ATOM 995 C PRO A 661 -9.922 0.752 4.118 1.00 32.51 C ATOM 996 O PRO A 661 -9.650 1.431 3.128 1.00 62.44 O ATOM 997 CB PRO A 661 -11.833 -0.869 3.991 1.00 34.44 C ATOM 998 CG PRO A 661 -12.169 -1.179 5.409 1.00 52.32 C ATOM 999 CD PRO A 661 -11.010 -1.973 5.945 1.00 72.43 C ATOM 0 HA PRO A 661 -9.843 -1.045 3.046 1.00 13.43 H new ATOM 0 HB2 PRO A 661 -12.326 0.044 3.658 1.00 34.44 H new ATOM 0 HB3 PRO A 661 -12.157 -1.668 3.324 1.00 34.44 H new ATOM 0 HG2 PRO A 661 -12.315 -0.265 5.984 1.00 52.32 H new ATOM 0 HG3 PRO A 661 -13.096 -1.749 5.475 1.00 52.32 H new ATOM 0 HD2 PRO A 661 -10.842 -1.774 7.003 1.00 72.43 H new ATOM 0 HD3 PRO A 661 -11.177 -3.045 5.845 1.00 72.43 H new ATOM 1007 N SER A 662 -9.897 1.235 5.355 1.00 13.33 N ATOM 1008 CA SER A 662 -9.545 2.624 5.627 1.00 43.41 C ATOM 1009 C SER A 662 -8.189 2.970 5.015 1.00 14.02 C ATOM 1010 O SER A 662 -8.055 3.956 4.291 1.00 14.33 O ATOM 1011 CB SER A 662 -9.517 2.880 7.135 1.00 4.43 C ATOM 1012 OG SER A 662 -8.535 3.846 7.470 1.00 51.04 O ATOM 0 H SER A 662 -10.116 0.685 6.186 1.00 13.33 H new ATOM 0 HA SER A 662 -10.303 3.261 5.172 1.00 43.41 H new ATOM 0 HB2 SER A 662 -10.497 3.223 7.467 1.00 4.43 H new ATOM 0 HB3 SER A 662 -9.310 1.948 7.661 1.00 4.43 H new ATOM 0 HG SER A 662 -8.538 3.993 8.439 1.00 51.04 H new ATOM 1018 N THR A 663 -7.186 2.150 5.313 1.00 33.14 N ATOM 1019 CA THR A 663 -5.841 2.368 4.795 1.00 33.25 C ATOM 1020 C THR A 663 -5.795 2.168 3.285 1.00 12.44 C ATOM 1021 O THR A 663 -5.140 2.927 2.569 1.00 44.04 O ATOM 1022 CB THR A 663 -4.824 1.421 5.459 1.00 43.12 C ATOM 1023 OG1 THR A 663 -4.812 1.628 6.875 1.00 14.20 O ATOM 1024 CG2 THR A 663 -3.429 1.647 4.896 1.00 23.52 C ATOM 0 H THR A 663 -7.280 1.329 5.911 1.00 33.14 H new ATOM 0 HA THR A 663 -5.574 3.398 5.030 1.00 33.25 H new ATOM 0 HB THR A 663 -5.124 0.395 5.246 1.00 43.12 H new ATOM 0 HG1 THR A 663 -5.059 0.796 7.329 1.00 14.20 H new ATOM 0 HG21 THR A 663 -2.727 0.967 5.379 1.00 23.52 H new ATOM 0 HG22 THR A 663 -3.435 1.459 3.822 1.00 23.52 H new ATOM 0 HG23 THR A 663 -3.124 2.677 5.082 1.00 23.52 H new ATOM 1032 N LEU A 664 -6.495 1.146 2.806 1.00 40.02 N ATOM 1033 CA LEU A 664 -6.534 0.847 1.378 1.00 22.13 C ATOM 1034 C LEU A 664 -6.892 2.091 0.571 1.00 2.15 C ATOM 1035 O LEU A 664 -6.174 2.472 -0.352 1.00 42.44 O ATOM 1036 CB LEU A 664 -7.545 -0.265 1.098 1.00 22.54 C ATOM 1037 CG LEU A 664 -6.975 -1.559 0.514 1.00 50.12 C ATOM 1038 CD1 LEU A 664 -5.816 -2.062 1.361 1.00 53.41 C ATOM 1039 CD2 LEU A 664 -8.061 -2.620 0.408 1.00 2.31 C ATOM 0 H LEU A 664 -7.043 0.510 3.385 1.00 40.02 H new ATOM 0 HA LEU A 664 -5.542 0.513 1.074 1.00 22.13 H new ATOM 0 HB2 LEU A 664 -8.058 -0.505 2.029 1.00 22.54 H new ATOM 0 HB3 LEU A 664 -8.297 0.120 0.410 1.00 22.54 H new ATOM 0 HG LEU A 664 -6.601 -1.349 -0.488 1.00 50.12 H new ATOM 0 HD11 LEU A 664 -5.423 -2.983 0.930 1.00 53.41 H new ATOM 0 HD12 LEU A 664 -5.029 -1.308 1.385 1.00 53.41 H new ATOM 0 HD13 LEU A 664 -6.164 -2.256 2.376 1.00 53.41 H new ATOM 0 HD21 LEU A 664 -7.638 -3.534 -0.009 1.00 2.31 H new ATOM 0 HD22 LEU A 664 -8.465 -2.827 1.399 1.00 2.31 H new ATOM 0 HD23 LEU A 664 -8.859 -2.260 -0.242 1.00 2.31 H new ATOM 1051 N ARG A 665 -8.007 2.721 0.930 1.00 41.14 N ATOM 1052 CA ARG A 665 -8.460 3.923 0.239 1.00 4.03 C ATOM 1053 C ARG A 665 -7.502 5.085 0.485 1.00 33.11 C ATOM 1054 O ARG A 665 -7.302 5.932 -0.385 1.00 34.21 O ATOM 1055 CB ARG A 665 -9.868 4.302 0.702 1.00 31.31 C ATOM 1056 CG ARG A 665 -10.685 5.020 -0.360 1.00 5.32 C ATOM 1057 CD ARG A 665 -11.053 6.429 0.080 1.00 15.00 C ATOM 1058 NE ARG A 665 -12.309 6.878 -0.517 1.00 70.42 N ATOM 1059 CZ ARG A 665 -12.911 8.016 -0.193 1.00 51.51 C ATOM 1060 NH1 ARG A 665 -12.375 8.818 0.717 1.00 33.22 N ATOM 1061 NH2 ARG A 665 -14.052 8.356 -0.781 1.00 44.05 N ATOM 0 H ARG A 665 -8.612 2.419 1.694 1.00 41.14 H new ATOM 0 HA ARG A 665 -8.481 3.712 -0.830 1.00 4.03 H new ATOM 0 HB2 ARG A 665 -10.397 3.399 1.006 1.00 31.31 H new ATOM 0 HB3 ARG A 665 -9.793 4.939 1.583 1.00 31.31 H new ATOM 0 HG2 ARG A 665 -10.117 5.064 -1.289 1.00 5.32 H new ATOM 0 HG3 ARG A 665 -11.593 4.453 -0.567 1.00 5.32 H new ATOM 0 HD2 ARG A 665 -11.137 6.459 1.166 1.00 15.00 H new ATOM 0 HD3 ARG A 665 -10.254 7.116 -0.198 1.00 15.00 H new ATOM 0 HE ARG A 665 -12.747 6.284 -1.221 1.00 70.42 H new ATOM 0 HH11 ARG A 665 -11.498 8.561 1.170 1.00 33.22 H new ATOM 0 HH12 ARG A 665 -12.840 9.692 0.964 1.00 33.22 H new ATOM 0 HH21 ARG A 665 -14.467 7.743 -1.482 1.00 44.05 H new ATOM 0 HH22 ARG A 665 -14.514 9.231 -0.531 1.00 44.05 H new ATOM 1075 N GLU A 666 -6.913 5.118 1.677 1.00 21.21 N ATOM 1076 CA GLU A 666 -5.978 6.177 2.037 1.00 41.54 C ATOM 1077 C GLU A 666 -4.886 6.321 0.981 1.00 62.53 C ATOM 1078 O GLU A 666 -4.616 7.421 0.496 1.00 60.42 O ATOM 1079 CB GLU A 666 -5.348 5.890 3.401 1.00 21.35 C ATOM 1080 CG GLU A 666 -4.872 7.137 4.127 1.00 62.11 C ATOM 1081 CD GLU A 666 -5.979 8.154 4.327 1.00 12.30 C ATOM 1082 OE1 GLU A 666 -6.962 7.830 5.025 1.00 72.41 O ATOM 1083 OE2 GLU A 666 -5.862 9.273 3.785 1.00 72.52 O ATOM 0 H GLU A 666 -7.067 4.424 2.409 1.00 21.21 H new ATOM 0 HA GLU A 666 -6.533 7.113 2.091 1.00 41.54 H new ATOM 0 HB2 GLU A 666 -6.075 5.372 4.026 1.00 21.35 H new ATOM 0 HB3 GLU A 666 -4.504 5.214 3.267 1.00 21.35 H new ATOM 0 HG2 GLU A 666 -4.464 6.854 5.097 1.00 62.11 H new ATOM 0 HG3 GLU A 666 -4.061 7.595 3.561 1.00 62.11 H new ATOM 1090 N LEU A 667 -4.262 5.203 0.628 1.00 42.02 N ATOM 1091 CA LEU A 667 -3.198 5.202 -0.371 1.00 4.35 C ATOM 1092 C LEU A 667 -3.725 5.658 -1.727 1.00 53.42 C ATOM 1093 O LEU A 667 -3.041 6.371 -2.462 1.00 21.42 O ATOM 1094 CB LEU A 667 -2.586 3.806 -0.491 1.00 60.34 C ATOM 1095 CG LEU A 667 -2.425 3.028 0.815 1.00 3.43 C ATOM 1096 CD1 LEU A 667 -1.586 1.779 0.593 1.00 41.32 C ATOM 1097 CD2 LEU A 667 -1.799 3.909 1.886 1.00 12.05 C ATOM 0 H LEU A 667 -4.474 4.285 1.019 1.00 42.02 H new ATOM 0 HA LEU A 667 -2.428 5.902 -0.047 1.00 4.35 H new ATOM 0 HB2 LEU A 667 -3.205 3.217 -1.167 1.00 60.34 H new ATOM 0 HB3 LEU A 667 -1.605 3.900 -0.957 1.00 60.34 H new ATOM 0 HG LEU A 667 -3.413 2.721 1.157 1.00 3.43 H new ATOM 0 HD11 LEU A 667 -1.482 1.238 1.534 1.00 41.32 H new ATOM 0 HD12 LEU A 667 -2.074 1.139 -0.142 1.00 41.32 H new ATOM 0 HD13 LEU A 667 -0.599 2.064 0.228 1.00 41.32 H new ATOM 0 HD21 LEU A 667 -1.692 3.339 2.809 1.00 12.05 H new ATOM 0 HD22 LEU A 667 -0.818 4.247 1.552 1.00 12.05 H new ATOM 0 HD23 LEU A 667 -2.438 4.773 2.066 1.00 12.05 H new ATOM 1109 N GLU A 668 -4.946 5.245 -2.051 1.00 71.22 N ATOM 1110 CA GLU A 668 -5.565 5.613 -3.319 1.00 43.15 C ATOM 1111 C GLU A 668 -5.708 7.127 -3.437 1.00 2.13 C ATOM 1112 O GLU A 668 -5.704 7.679 -4.537 1.00 2.24 O ATOM 1113 CB GLU A 668 -6.936 4.947 -3.455 1.00 50.54 C ATOM 1114 CG GLU A 668 -7.358 4.713 -4.896 1.00 75.02 C ATOM 1115 CD GLU A 668 -8.604 3.856 -5.006 1.00 31.33 C ATOM 1116 OE1 GLU A 668 -9.716 4.401 -4.837 1.00 23.12 O ATOM 1117 OE2 GLU A 668 -8.469 2.641 -5.261 1.00 13.22 O ATOM 0 H GLU A 668 -5.526 4.656 -1.454 1.00 71.22 H new ATOM 0 HA GLU A 668 -4.918 5.264 -4.124 1.00 43.15 H new ATOM 0 HB2 GLU A 668 -6.920 3.992 -2.930 1.00 50.54 H new ATOM 0 HB3 GLU A 668 -7.683 5.569 -2.963 1.00 50.54 H new ATOM 0 HG2 GLU A 668 -7.538 5.674 -5.379 1.00 75.02 H new ATOM 0 HG3 GLU A 668 -6.542 4.233 -5.436 1.00 75.02 H new ATOM 1124 N ARG A 669 -5.834 7.794 -2.293 1.00 61.21 N ATOM 1125 CA ARG A 669 -5.979 9.244 -2.266 1.00 14.23 C ATOM 1126 C ARG A 669 -4.651 9.930 -2.567 1.00 23.03 C ATOM 1127 O ARG A 669 -4.613 10.973 -3.218 1.00 42.43 O ATOM 1128 CB ARG A 669 -6.504 9.700 -0.903 1.00 61.02 C ATOM 1129 CG ARG A 669 -7.720 10.608 -0.991 1.00 40.01 C ATOM 1130 CD ARG A 669 -7.574 11.823 -0.087 1.00 63.53 C ATOM 1131 NE ARG A 669 -8.846 12.215 0.511 1.00 30.43 N ATOM 1132 CZ ARG A 669 -9.378 11.611 1.569 1.00 54.22 C ATOM 1133 NH1 ARG A 669 -8.750 10.593 2.140 1.00 1.44 N ATOM 1134 NH2 ARG A 669 -10.541 12.026 2.056 1.00 23.01 N ATOM 0 H ARG A 669 -5.838 7.353 -1.374 1.00 61.21 H new ATOM 0 HA ARG A 669 -6.696 9.526 -3.037 1.00 14.23 H new ATOM 0 HB2 ARG A 669 -6.759 8.822 -0.309 1.00 61.02 H new ATOM 0 HB3 ARG A 669 -5.708 10.223 -0.373 1.00 61.02 H new ATOM 0 HG2 ARG A 669 -7.858 10.934 -2.022 1.00 40.01 H new ATOM 0 HG3 ARG A 669 -8.613 10.050 -0.711 1.00 40.01 H new ATOM 0 HD2 ARG A 669 -6.855 11.604 0.702 1.00 63.53 H new ATOM 0 HD3 ARG A 669 -7.172 12.657 -0.662 1.00 63.53 H new ATOM 0 HE ARG A 669 -9.355 12.995 0.095 1.00 30.43 H new ATOM 0 HH11 ARG A 669 -7.856 10.271 1.768 1.00 1.44 H new ATOM 0 HH12 ARG A 669 -9.160 10.131 2.952 1.00 1.44 H new ATOM 0 HH21 ARG A 669 -11.027 12.809 1.618 1.00 23.01 H new ATOM 0 HH22 ARG A 669 -10.949 11.562 2.868 1.00 23.01 H new ATOM 1148 N TYR A 670 -3.562 9.336 -2.088 1.00 55.42 N ATOM 1149 CA TYR A 670 -2.232 9.892 -2.303 1.00 24.21 C ATOM 1150 C TYR A 670 -1.747 9.611 -3.722 1.00 3.34 C ATOM 1151 O TYR A 670 -1.235 10.500 -4.403 1.00 65.20 O ATOM 1152 CB TYR A 670 -1.245 9.310 -1.290 1.00 64.10 C ATOM 1153 CG TYR A 670 -1.149 10.109 -0.009 1.00 70.14 C ATOM 1154 CD1 TYR A 670 -2.235 10.210 0.851 1.00 42.21 C ATOM 1155 CD2 TYR A 670 0.027 10.761 0.340 1.00 22.20 C ATOM 1156 CE1 TYR A 670 -2.152 10.939 2.022 1.00 55.32 C ATOM 1157 CE2 TYR A 670 0.119 11.491 1.509 1.00 41.24 C ATOM 1158 CZ TYR A 670 -0.974 11.577 2.346 1.00 45.52 C ATOM 1159 OH TYR A 670 -0.888 12.304 3.512 1.00 70.12 O ATOM 0 H TYR A 670 -3.575 8.470 -1.549 1.00 55.42 H new ATOM 0 HA TYR A 670 -2.290 10.972 -2.166 1.00 24.21 H new ATOM 0 HB2 TYR A 670 -1.543 8.289 -1.050 1.00 64.10 H new ATOM 0 HB3 TYR A 670 -0.258 9.254 -1.748 1.00 64.10 H new ATOM 0 HD1 TYR A 670 -3.159 9.711 0.600 1.00 42.21 H new ATOM 0 HD2 TYR A 670 0.884 10.696 -0.314 1.00 22.20 H new ATOM 0 HE1 TYR A 670 -3.006 11.008 2.680 1.00 55.32 H new ATOM 0 HE2 TYR A 670 1.041 11.991 1.766 1.00 41.24 H new ATOM 0 HH TYR A 670 0.010 12.689 3.592 1.00 70.12 H new ATOM 1169 N VAL A 671 -1.914 8.368 -4.162 1.00 63.41 N ATOM 1170 CA VAL A 671 -1.495 7.968 -5.500 1.00 12.53 C ATOM 1171 C VAL A 671 -2.191 8.807 -6.567 1.00 23.34 C ATOM 1172 O VAL A 671 -1.622 9.084 -7.623 1.00 70.53 O ATOM 1173 CB VAL A 671 -1.792 6.479 -5.759 1.00 65.12 C ATOM 1174 CG1 VAL A 671 -3.290 6.246 -5.879 1.00 64.41 C ATOM 1175 CG2 VAL A 671 -1.069 6.002 -7.010 1.00 3.42 C ATOM 0 H VAL A 671 -2.337 7.621 -3.611 1.00 63.41 H new ATOM 0 HA VAL A 671 -0.419 8.132 -5.558 1.00 12.53 H new ATOM 0 HB VAL A 671 -1.425 5.901 -4.911 1.00 65.12 H new ATOM 0 HG11 VAL A 671 -3.480 5.188 -6.062 1.00 64.41 H new ATOM 0 HG12 VAL A 671 -3.781 6.548 -4.954 1.00 64.41 H new ATOM 0 HG13 VAL A 671 -3.684 6.834 -6.708 1.00 64.41 H new ATOM 0 HG21 VAL A 671 -1.290 4.948 -7.178 1.00 3.42 H new ATOM 0 HG22 VAL A 671 -1.404 6.584 -7.868 1.00 3.42 H new ATOM 0 HG23 VAL A 671 0.006 6.131 -6.881 1.00 3.42 H new ATOM 1185 N THR A 672 -3.425 9.210 -6.283 1.00 1.13 N ATOM 1186 CA THR A 672 -4.199 10.017 -7.218 1.00 14.35 C ATOM 1187 C THR A 672 -3.690 11.454 -7.256 1.00 35.34 C ATOM 1188 O THR A 672 -3.703 12.099 -8.304 1.00 74.41 O ATOM 1189 CB THR A 672 -5.694 10.024 -6.849 1.00 14.33 C ATOM 1190 OG1 THR A 672 -6.216 8.692 -6.892 1.00 61.43 O ATOM 1191 CG2 THR A 672 -6.482 10.913 -7.798 1.00 51.53 C ATOM 0 H THR A 672 -3.910 8.991 -5.413 1.00 1.13 H new ATOM 0 HA THR A 672 -4.077 9.565 -8.202 1.00 14.35 H new ATOM 0 HB THR A 672 -5.793 10.420 -5.838 1.00 14.33 H new ATOM 0 HG1 THR A 672 -6.245 8.323 -5.985 1.00 61.43 H new ATOM 0 HG21 THR A 672 -7.535 10.902 -7.517 1.00 51.53 H new ATOM 0 HG22 THR A 672 -6.102 11.933 -7.741 1.00 51.53 H new ATOM 0 HG23 THR A 672 -6.374 10.542 -8.817 1.00 51.53 H new ATOM 1199 N SER A 673 -3.242 11.949 -6.107 1.00 34.01 N ATOM 1200 CA SER A 673 -2.732 13.312 -6.009 1.00 22.41 C ATOM 1201 C SER A 673 -1.480 13.485 -6.864 1.00 72.42 C ATOM 1202 O SER A 673 -1.259 14.545 -7.452 1.00 24.24 O ATOM 1203 CB SER A 673 -2.420 13.657 -4.552 1.00 42.40 C ATOM 1204 OG SER A 673 -2.348 15.060 -4.365 1.00 45.45 O ATOM 0 H SER A 673 -3.222 11.427 -5.231 1.00 34.01 H new ATOM 0 HA SER A 673 -3.501 13.990 -6.379 1.00 22.41 H new ATOM 0 HB2 SER A 673 -3.190 13.239 -3.903 1.00 42.40 H new ATOM 0 HB3 SER A 673 -1.475 13.199 -4.261 1.00 42.40 H new ATOM 0 HG SER A 673 -2.149 15.255 -3.425 1.00 45.45 H new ATOM 1309 N THR B 389 16.910 3.980 -2.939 1.00 53.04 N ATOM 1310 CA THR B 389 15.472 4.213 -2.992 1.00 50.12 C ATOM 1311 C THR B 389 14.701 3.014 -2.455 1.00 54.32 C ATOM 1312 O THR B 389 15.289 2.074 -1.922 1.00 62.21 O ATOM 1313 CB THR B 389 15.005 4.508 -4.430 1.00 73.10 C ATOM 1314 OG1 THR B 389 16.130 4.542 -5.314 1.00 63.13 O ATOM 1315 CG2 THR B 389 14.261 5.834 -4.496 1.00 32.30 C ATOM 0 HA THR B 389 15.268 5.082 -2.366 1.00 50.12 H new ATOM 0 HB THR B 389 14.326 3.713 -4.738 1.00 73.10 H new ATOM 0 HG1 THR B 389 16.958 4.519 -4.791 1.00 63.13 H new ATOM 0 HG21 THR B 389 13.941 6.021 -5.521 1.00 32.30 H new ATOM 0 HG22 THR B 389 13.388 5.794 -3.845 1.00 32.30 H new ATOM 0 HG23 THR B 389 14.921 6.638 -4.169 1.00 32.30 H new ATOM 1323 N TRP B 390 13.381 3.053 -2.598 1.00 42.22 N ATOM 1324 CA TRP B 390 12.528 1.967 -2.127 1.00 2.41 C ATOM 1325 C TRP B 390 12.293 0.943 -3.231 1.00 35.44 C ATOM 1326 O TRP B 390 12.342 1.271 -4.416 1.00 43.23 O ATOM 1327 CB TRP B 390 11.191 2.520 -1.632 1.00 13.42 C ATOM 1328 CG TRP B 390 11.214 2.929 -0.190 1.00 45.43 C ATOM 1329 CD1 TRP B 390 11.832 4.026 0.340 1.00 53.11 C ATOM 1330 CD2 TRP B 390 10.594 2.246 0.904 1.00 12.34 C ATOM 1331 NE1 TRP B 390 11.633 4.066 1.699 1.00 64.50 N ATOM 1332 CE2 TRP B 390 10.877 2.986 2.070 1.00 32.12 C ATOM 1333 CE3 TRP B 390 9.827 1.084 1.014 1.00 73.00 C ATOM 1334 CZ2 TRP B 390 10.418 2.598 3.326 1.00 3.03 C ATOM 1335 CZ3 TRP B 390 9.373 0.701 2.262 1.00 75.44 C ATOM 1336 CH2 TRP B 390 9.669 1.456 3.404 1.00 31.40 C ATOM 0 H TRP B 390 12.878 3.825 -3.036 1.00 42.22 H new ATOM 0 HA TRP B 390 13.036 1.471 -1.300 1.00 2.41 H new ATOM 0 HB2 TRP B 390 10.914 3.380 -2.242 1.00 13.42 H new ATOM 0 HB3 TRP B 390 10.418 1.765 -1.776 1.00 13.42 H new ATOM 0 HD1 TRP B 390 12.394 4.754 -0.226 1.00 53.11 H new ATOM 0 HE1 TRP B 390 11.990 4.784 2.329 1.00 64.50 H new ATOM 0 HE3 TRP B 390 9.593 0.495 0.139 1.00 73.00 H new ATOM 0 HZ2 TRP B 390 10.645 3.178 4.208 1.00 3.03 H new ATOM 0 HZ3 TRP B 390 8.780 -0.196 2.358 1.00 75.44 H new ATOM 0 HH2 TRP B 390 9.299 1.130 4.365 1.00 31.40 H new ATOM 1347 N ARG B 391 12.034 -0.299 -2.834 1.00 63.22 N ATOM 1348 CA ARG B 391 11.791 -1.372 -3.791 1.00 62.30 C ATOM 1349 C ARG B 391 10.396 -1.962 -3.604 1.00 33.00 C ATOM 1350 O ARG B 391 9.689 -1.621 -2.655 1.00 2.10 O ATOM 1351 CB ARG B 391 12.845 -2.470 -3.637 1.00 54.21 C ATOM 1352 CG ARG B 391 12.812 -3.161 -2.283 1.00 0.31 C ATOM 1353 CD ARG B 391 14.099 -3.927 -2.018 1.00 75.00 C ATOM 1354 NE ARG B 391 13.857 -5.161 -1.276 1.00 34.02 N ATOM 1355 CZ ARG B 391 14.704 -6.185 -1.256 1.00 73.04 C ATOM 1356 NH1 ARG B 391 15.841 -6.121 -1.934 1.00 74.21 N ATOM 1357 NH2 ARG B 391 14.413 -7.275 -0.557 1.00 55.35 N ATOM 0 H ARG B 391 11.987 -0.587 -1.857 1.00 63.22 H new ATOM 0 HA ARG B 391 11.858 -0.952 -4.794 1.00 62.30 H new ATOM 0 HB2 ARG B 391 12.698 -3.215 -4.419 1.00 54.21 H new ATOM 0 HB3 ARG B 391 13.833 -2.037 -3.790 1.00 54.21 H new ATOM 0 HG2 ARG B 391 12.660 -2.420 -1.498 1.00 0.31 H new ATOM 0 HG3 ARG B 391 11.965 -3.846 -2.243 1.00 0.31 H new ATOM 0 HD2 ARG B 391 14.583 -4.163 -2.966 1.00 75.00 H new ATOM 0 HD3 ARG B 391 14.788 -3.296 -1.457 1.00 75.00 H new ATOM 0 HE ARG B 391 12.991 -5.242 -0.744 1.00 34.02 H new ATOM 0 HH11 ARG B 391 16.067 -5.285 -2.472 1.00 74.21 H new ATOM 0 HH12 ARG B 391 16.490 -6.908 -1.917 1.00 74.21 H new ATOM 0 HH21 ARG B 391 13.539 -7.327 -0.034 1.00 55.35 H new ATOM 0 HH22 ARG B 391 15.064 -8.060 -0.542 1.00 55.35 H new ATOM 1371 N VAL B 392 10.005 -2.847 -4.515 1.00 65.14 N ATOM 1372 CA VAL B 392 8.696 -3.485 -4.451 1.00 1.34 C ATOM 1373 C VAL B 392 8.781 -4.957 -4.837 1.00 4.31 C ATOM 1374 O VAL B 392 9.383 -5.308 -5.851 1.00 42.35 O ATOM 1375 CB VAL B 392 7.683 -2.781 -5.373 1.00 4.02 C ATOM 1376 CG1 VAL B 392 8.048 -3.001 -6.833 1.00 61.31 C ATOM 1377 CG2 VAL B 392 6.273 -3.272 -5.087 1.00 15.23 C ATOM 0 H VAL B 392 10.577 -3.139 -5.307 1.00 65.14 H new ATOM 0 HA VAL B 392 8.355 -3.403 -3.419 1.00 1.34 H new ATOM 0 HB VAL B 392 7.717 -1.710 -5.173 1.00 4.02 H new ATOM 0 HG11 VAL B 392 7.321 -2.496 -7.470 1.00 61.31 H new ATOM 0 HG12 VAL B 392 9.042 -2.596 -7.025 1.00 61.31 H new ATOM 0 HG13 VAL B 392 8.043 -4.069 -7.052 1.00 61.31 H new ATOM 0 HG21 VAL B 392 5.570 -2.764 -5.747 1.00 15.23 H new ATOM 0 HG22 VAL B 392 6.220 -4.347 -5.259 1.00 15.23 H new ATOM 0 HG23 VAL B 392 6.016 -3.057 -4.050 1.00 15.23 H new ATOM 1387 N GLN B 393 8.175 -5.813 -4.022 1.00 65.32 N ATOM 1388 CA GLN B 393 8.184 -7.249 -4.279 1.00 14.30 C ATOM 1389 C GLN B 393 6.839 -7.873 -3.921 1.00 23.24 C ATOM 1390 O GLN B 393 6.465 -7.934 -2.750 1.00 72.11 O ATOM 1391 CB GLN B 393 9.302 -7.925 -3.485 1.00 2.43 C ATOM 1392 CG GLN B 393 10.683 -7.367 -3.784 1.00 65.13 C ATOM 1393 CD GLN B 393 11.620 -7.457 -2.595 1.00 11.21 C ATOM 1394 OE1 GLN B 393 12.614 -8.182 -2.627 1.00 24.41 O ATOM 1395 NE2 GLN B 393 11.306 -6.718 -1.537 1.00 22.35 N ATOM 0 H GLN B 393 7.672 -5.538 -3.178 1.00 65.32 H new ATOM 0 HA GLN B 393 8.363 -7.401 -5.343 1.00 14.30 H new ATOM 0 HB2 GLN B 393 9.098 -7.815 -2.420 1.00 2.43 H new ATOM 0 HB3 GLN B 393 9.296 -8.993 -3.702 1.00 2.43 H new ATOM 0 HG2 GLN B 393 11.116 -7.910 -4.624 1.00 65.13 H new ATOM 0 HG3 GLN B 393 10.591 -6.325 -4.091 1.00 65.13 H new ATOM 0 HE21 GLN B 393 10.472 -6.131 -1.554 1.00 22.35 H new ATOM 0 HE22 GLN B 393 11.899 -6.737 -0.707 1.00 22.35 H new ATOM 1404 N ARG B 394 6.118 -8.337 -4.936 1.00 55.53 N ATOM 1405 CA ARG B 394 4.814 -8.955 -4.728 1.00 44.31 C ATOM 1406 C ARG B 394 4.966 -10.366 -4.168 1.00 52.10 C ATOM 1407 O ARG B 394 6.049 -10.949 -4.211 1.00 73.03 O ATOM 1408 CB ARG B 394 4.031 -8.998 -6.041 1.00 72.04 C ATOM 1409 CG ARG B 394 4.837 -9.527 -7.216 1.00 22.54 C ATOM 1410 CD ARG B 394 5.279 -8.404 -8.140 1.00 33.05 C ATOM 1411 NE ARG B 394 4.671 -8.513 -9.463 1.00 44.45 N ATOM 1412 CZ ARG B 394 4.973 -9.470 -10.334 1.00 2.23 C ATOM 1413 NH1 ARG B 394 5.869 -10.396 -10.022 1.00 53.33 N ATOM 1414 NH2 ARG B 394 4.376 -9.502 -11.519 1.00 63.32 N ATOM 0 H ARG B 394 6.415 -8.297 -5.911 1.00 55.53 H new ATOM 0 HA ARG B 394 4.265 -8.352 -4.005 1.00 44.31 H new ATOM 0 HB2 ARG B 394 3.148 -9.623 -5.907 1.00 72.04 H new ATOM 0 HB3 ARG B 394 3.678 -7.994 -6.276 1.00 72.04 H new ATOM 0 HG2 ARG B 394 5.712 -10.061 -6.847 1.00 22.54 H new ATOM 0 HG3 ARG B 394 4.238 -10.245 -7.776 1.00 22.54 H new ATOM 0 HD2 ARG B 394 5.013 -7.444 -7.697 1.00 33.05 H new ATOM 0 HD3 ARG B 394 6.365 -8.421 -8.237 1.00 33.05 H new ATOM 0 HE ARG B 394 3.977 -7.817 -9.733 1.00 44.45 H new ATOM 0 HH11 ARG B 394 6.328 -10.375 -9.112 1.00 53.33 H new ATOM 0 HH12 ARG B 394 6.099 -11.130 -10.692 1.00 53.33 H new ATOM 0 HH21 ARG B 394 3.685 -8.792 -11.761 1.00 63.32 H new ATOM 0 HH22 ARG B 394 4.608 -10.237 -12.187 1.00 63.32 H new ATOM 1428 N SER B 395 3.873 -10.909 -3.642 1.00 20.05 N ATOM 1429 CA SER B 395 3.885 -12.250 -3.069 1.00 13.53 C ATOM 1430 C SER B 395 2.775 -13.107 -3.669 1.00 72.23 C ATOM 1431 O SER B 395 2.070 -12.677 -4.582 1.00 34.22 O ATOM 1432 CB SER B 395 3.725 -12.179 -1.549 1.00 31.51 C ATOM 1433 OG SER B 395 2.370 -12.354 -1.170 1.00 40.10 O ATOM 0 H SER B 395 2.968 -10.441 -3.601 1.00 20.05 H new ATOM 0 HA SER B 395 4.844 -12.711 -3.305 1.00 13.53 H new ATOM 0 HB2 SER B 395 4.339 -12.947 -1.079 1.00 31.51 H new ATOM 0 HB3 SER B 395 4.086 -11.216 -1.187 1.00 31.51 H new ATOM 0 HG SER B 395 2.306 -13.070 -0.504 1.00 40.10 H new ATOM 1439 N GLN B 396 2.627 -14.322 -3.149 1.00 45.40 N ATOM 1440 CA GLN B 396 1.604 -15.240 -3.635 1.00 35.44 C ATOM 1441 C GLN B 396 0.208 -14.734 -3.285 1.00 13.42 C ATOM 1442 O GLN B 396 -0.764 -15.042 -3.973 1.00 32.32 O ATOM 1443 CB GLN B 396 1.817 -16.634 -3.041 1.00 64.22 C ATOM 1444 CG GLN B 396 1.573 -16.701 -1.541 1.00 44.13 C ATOM 1445 CD GLN B 396 1.877 -18.068 -0.962 1.00 4.34 C ATOM 1446 OE1 GLN B 396 2.994 -18.330 -0.512 1.00 53.11 O ATOM 1447 NE2 GLN B 396 0.884 -18.948 -0.967 1.00 60.14 N ATOM 0 H GLN B 396 3.202 -14.693 -2.392 1.00 45.40 H new ATOM 0 HA GLN B 396 1.689 -15.297 -4.720 1.00 35.44 H new ATOM 0 HB2 GLN B 396 1.152 -17.338 -3.541 1.00 64.22 H new ATOM 0 HB3 GLN B 396 2.837 -16.957 -3.249 1.00 64.22 H new ATOM 0 HG2 GLN B 396 2.190 -15.954 -1.042 1.00 44.13 H new ATOM 0 HG3 GLN B 396 0.534 -16.446 -1.334 1.00 44.13 H new ATOM 0 HE21 GLN B 396 -0.025 -18.689 -1.350 1.00 60.14 H new ATOM 0 HE22 GLN B 396 1.030 -19.884 -0.588 1.00 60.14 H new ATOM 1456 N ASN B 397 0.118 -13.955 -2.211 1.00 73.54 N ATOM 1457 CA ASN B 397 -1.160 -13.407 -1.771 1.00 0.11 C ATOM 1458 C ASN B 397 -1.927 -12.805 -2.944 1.00 21.41 C ATOM 1459 O ASN B 397 -1.378 -12.566 -4.020 1.00 73.11 O ATOM 1460 CB ASN B 397 -0.937 -12.343 -0.694 1.00 32.12 C ATOM 1461 CG ASN B 397 -1.413 -12.796 0.673 1.00 32.30 C ATOM 1462 OD1 ASN B 397 -2.216 -13.722 0.788 1.00 75.50 O ATOM 1463 ND2 ASN B 397 -0.918 -12.144 1.718 1.00 11.02 N ATOM 0 H ASN B 397 0.914 -13.690 -1.631 1.00 73.54 H new ATOM 0 HA ASN B 397 -1.752 -14.221 -1.353 1.00 0.11 H new ATOM 0 HB2 ASN B 397 0.124 -12.098 -0.644 1.00 32.12 H new ATOM 0 HB3 ASN B 397 -1.462 -11.430 -0.975 1.00 32.12 H new ATOM 0 HD21 ASN B 397 -1.201 -12.405 2.663 1.00 11.02 H new ATOM 0 HD22 ASN B 397 -0.255 -11.382 1.576 1.00 11.02 H new ATOM 1470 N PRO B 398 -3.227 -12.553 -2.733 1.00 14.21 N ATOM 1471 CA PRO B 398 -4.099 -11.975 -3.761 1.00 22.34 C ATOM 1472 C PRO B 398 -3.763 -10.517 -4.052 1.00 15.22 C ATOM 1473 O PRO B 398 -4.063 -10.003 -5.131 1.00 61.31 O ATOM 1474 CB PRO B 398 -5.496 -12.090 -3.147 1.00 21.04 C ATOM 1475 CG PRO B 398 -5.263 -12.112 -1.676 1.00 3.44 C ATOM 1476 CD PRO B 398 -3.947 -12.813 -1.475 1.00 74.33 C ATOM 0 HA PRO B 398 -3.996 -12.487 -4.718 1.00 22.34 H new ATOM 0 HB2 PRO B 398 -6.126 -11.248 -3.435 1.00 21.04 H new ATOM 0 HB3 PRO B 398 -6.002 -12.996 -3.481 1.00 21.04 H new ATOM 0 HG2 PRO B 398 -5.232 -11.101 -1.271 1.00 3.44 H new ATOM 0 HG3 PRO B 398 -6.068 -12.637 -1.161 1.00 3.44 H new ATOM 0 HD2 PRO B 398 -3.408 -12.417 -0.614 1.00 74.33 H new ATOM 0 HD3 PRO B 398 -4.083 -13.881 -1.303 1.00 74.33 H new ATOM 1484 N LEU B 399 -3.139 -9.853 -3.084 1.00 63.42 N ATOM 1485 CA LEU B 399 -2.761 -8.453 -3.238 1.00 52.40 C ATOM 1486 C LEU B 399 -1.754 -8.041 -2.169 1.00 41.12 C ATOM 1487 O LEU B 399 -1.993 -7.109 -1.401 1.00 2.03 O ATOM 1488 CB LEU B 399 -4.000 -7.559 -3.159 1.00 3.52 C ATOM 1489 CG LEU B 399 -4.163 -6.539 -4.286 1.00 15.34 C ATOM 1490 CD1 LEU B 399 -2.841 -5.846 -4.575 1.00 75.11 C ATOM 1491 CD2 LEU B 399 -4.701 -7.211 -5.540 1.00 54.44 C ATOM 0 H LEU B 399 -2.885 -10.262 -2.185 1.00 63.42 H new ATOM 0 HA LEU B 399 -2.295 -8.333 -4.216 1.00 52.40 H new ATOM 0 HB2 LEU B 399 -4.884 -8.197 -3.143 1.00 3.52 H new ATOM 0 HB3 LEU B 399 -3.977 -7.022 -2.211 1.00 3.52 H new ATOM 0 HG LEU B 399 -4.882 -5.785 -3.966 1.00 15.34 H new ATOM 0 HD11 LEU B 399 -2.977 -5.124 -5.380 1.00 75.11 H new ATOM 0 HD12 LEU B 399 -2.497 -5.330 -3.679 1.00 75.11 H new ATOM 0 HD13 LEU B 399 -2.100 -6.587 -4.874 1.00 75.11 H new ATOM 0 HD21 LEU B 399 -4.811 -6.470 -6.332 1.00 54.44 H new ATOM 0 HD22 LEU B 399 -4.007 -7.987 -5.863 1.00 54.44 H new ATOM 0 HD23 LEU B 399 -5.671 -7.659 -5.325 1.00 54.44 H new ATOM 1503 N LYS B 400 -0.624 -8.740 -2.127 1.00 42.44 N ATOM 1504 CA LYS B 400 0.422 -8.446 -1.156 1.00 4.40 C ATOM 1505 C LYS B 400 1.608 -7.757 -1.826 1.00 31.30 C ATOM 1506 O LYS B 400 2.043 -8.161 -2.905 1.00 13.23 O ATOM 1507 CB LYS B 400 0.887 -9.732 -0.471 1.00 20.22 C ATOM 1508 CG LYS B 400 2.202 -9.584 0.275 1.00 4.44 C ATOM 1509 CD LYS B 400 2.356 -10.645 1.351 1.00 21.04 C ATOM 1510 CE LYS B 400 1.668 -10.232 2.644 1.00 45.14 C ATOM 1511 NZ LYS B 400 1.676 -11.328 3.651 1.00 15.35 N ATOM 0 H LYS B 400 -0.410 -9.515 -2.755 1.00 42.44 H new ATOM 0 HA LYS B 400 0.008 -7.772 -0.406 1.00 4.40 H new ATOM 0 HB2 LYS B 400 0.118 -10.060 0.228 1.00 20.22 H new ATOM 0 HB3 LYS B 400 0.991 -10.516 -1.221 1.00 20.22 H new ATOM 0 HG2 LYS B 400 3.031 -9.656 -0.429 1.00 4.44 H new ATOM 0 HG3 LYS B 400 2.254 -8.594 0.729 1.00 4.44 H new ATOM 0 HD2 LYS B 400 1.935 -11.586 0.998 1.00 21.04 H new ATOM 0 HD3 LYS B 400 3.415 -10.821 1.541 1.00 21.04 H new ATOM 0 HE2 LYS B 400 2.167 -9.356 3.057 1.00 45.14 H new ATOM 0 HE3 LYS B 400 0.639 -9.942 2.431 1.00 45.14 H new ATOM 0 HZ1 LYS B 400 0.739 -11.397 4.097 1.00 15.35 H new ATOM 0 HZ2 LYS B 400 1.904 -12.228 3.183 1.00 15.35 H new ATOM 0 HZ3 LYS B 400 2.391 -11.126 4.378 1.00 15.35 H new ATOM 1525 N ILE B 401 2.126 -6.720 -1.178 1.00 51.42 N ATOM 1526 CA ILE B 401 3.263 -5.978 -1.710 1.00 53.04 C ATOM 1527 C ILE B 401 4.303 -5.714 -0.627 1.00 54.21 C ATOM 1528 O ILE B 401 4.057 -4.957 0.312 1.00 40.50 O ATOM 1529 CB ILE B 401 2.822 -4.635 -2.322 1.00 44.23 C ATOM 1530 CG1 ILE B 401 1.426 -4.762 -2.937 1.00 65.23 C ATOM 1531 CG2 ILE B 401 3.827 -4.174 -3.368 1.00 73.30 C ATOM 1532 CD1 ILE B 401 0.309 -4.430 -1.973 1.00 41.01 C ATOM 0 H ILE B 401 1.777 -6.374 -0.284 1.00 51.42 H new ATOM 0 HA ILE B 401 3.705 -6.596 -2.491 1.00 53.04 H new ATOM 0 HB ILE B 401 2.782 -3.888 -1.529 1.00 44.23 H new ATOM 0 HG12 ILE B 401 1.357 -4.102 -3.802 1.00 65.23 H new ATOM 0 HG13 ILE B 401 1.290 -5.780 -3.302 1.00 65.23 H new ATOM 0 HG21 ILE B 401 3.502 -3.224 -3.791 1.00 73.30 H new ATOM 0 HG22 ILE B 401 4.805 -4.048 -2.903 1.00 73.30 H new ATOM 0 HG23 ILE B 401 3.896 -4.920 -4.160 1.00 73.30 H new ATOM 0 HD11 ILE B 401 -0.651 -4.541 -2.477 1.00 41.01 H new ATOM 0 HD12 ILE B 401 0.352 -5.107 -1.120 1.00 41.01 H new ATOM 0 HD13 ILE B 401 0.420 -3.402 -1.627 1.00 41.01 H new ATOM 1544 N ARG B 402 5.467 -6.340 -0.766 1.00 32.30 N ATOM 1545 CA ARG B 402 6.545 -6.173 0.200 1.00 0.32 C ATOM 1546 C ARG B 402 7.442 -5.001 -0.184 1.00 42.05 C ATOM 1547 O ARG B 402 8.345 -5.141 -1.010 1.00 5.30 O ATOM 1548 CB ARG B 402 7.375 -7.454 0.298 1.00 11.21 C ATOM 1549 CG ARG B 402 7.012 -8.326 1.490 1.00 61.15 C ATOM 1550 CD ARG B 402 7.973 -8.114 2.649 1.00 62.32 C ATOM 1551 NE ARG B 402 9.250 -8.789 2.431 1.00 12.23 N ATOM 1552 CZ ARG B 402 10.091 -9.104 3.410 1.00 42.40 C ATOM 1553 NH1 ARG B 402 9.792 -8.805 4.667 1.00 60.22 N ATOM 1554 NH2 ARG B 402 11.234 -9.718 3.132 1.00 4.42 N ATOM 0 H ARG B 402 5.687 -6.968 -1.539 1.00 32.30 H new ATOM 0 HA ARG B 402 6.098 -5.963 1.172 1.00 0.32 H new ATOM 0 HB2 ARG B 402 7.245 -8.032 -0.617 1.00 11.21 H new ATOM 0 HB3 ARG B 402 8.430 -7.189 0.360 1.00 11.21 H new ATOM 0 HG2 ARG B 402 5.996 -8.099 1.812 1.00 61.15 H new ATOM 0 HG3 ARG B 402 7.025 -9.375 1.192 1.00 61.15 H new ATOM 0 HD2 ARG B 402 8.146 -7.047 2.786 1.00 62.32 H new ATOM 0 HD3 ARG B 402 7.519 -8.484 3.568 1.00 62.32 H new ATOM 0 HE ARG B 402 9.510 -9.032 1.475 1.00 12.23 H new ATOM 0 HH11 ARG B 402 8.915 -8.332 4.884 1.00 60.22 H new ATOM 0 HH12 ARG B 402 10.439 -9.048 5.417 1.00 60.22 H new ATOM 0 HH21 ARG B 402 11.467 -9.948 2.166 1.00 4.42 H new ATOM 0 HH22 ARG B 402 11.879 -9.960 3.884 1.00 4.42 H new ATOM 1568 N LEU B 403 7.188 -3.844 0.419 1.00 72.55 N ATOM 1569 CA LEU B 403 7.972 -2.646 0.139 1.00 23.32 C ATOM 1570 C LEU B 403 9.075 -2.463 1.177 1.00 33.44 C ATOM 1571 O LEU B 403 8.863 -2.685 2.370 1.00 32.41 O ATOM 1572 CB LEU B 403 7.067 -1.414 0.116 1.00 32.54 C ATOM 1573 CG LEU B 403 6.351 -1.132 -1.205 1.00 52.35 C ATOM 1574 CD1 LEU B 403 6.005 -2.432 -1.913 1.00 65.10 C ATOM 1575 CD2 LEU B 403 5.097 -0.303 -0.965 1.00 71.45 C ATOM 0 H LEU B 403 6.445 -3.710 1.105 1.00 72.55 H new ATOM 0 HA LEU B 403 8.436 -2.765 -0.840 1.00 23.32 H new ATOM 0 HB2 LEU B 403 6.315 -1.526 0.897 1.00 32.54 H new ATOM 0 HB3 LEU B 403 7.668 -0.542 0.374 1.00 32.54 H new ATOM 0 HG LEU B 403 7.023 -0.561 -1.846 1.00 52.35 H new ATOM 0 HD11 LEU B 403 5.496 -2.211 -2.851 1.00 65.10 H new ATOM 0 HD12 LEU B 403 6.919 -2.989 -2.119 1.00 65.10 H new ATOM 0 HD13 LEU B 403 5.351 -3.030 -1.278 1.00 65.10 H new ATOM 0 HD21 LEU B 403 4.600 -0.112 -1.916 1.00 71.45 H new ATOM 0 HD22 LEU B 403 4.421 -0.848 -0.306 1.00 71.45 H new ATOM 0 HD23 LEU B 403 5.371 0.645 -0.501 1.00 71.45 H new ATOM 1587 N THR B 404 10.252 -2.053 0.716 1.00 3.21 N ATOM 1588 CA THR B 404 11.388 -1.837 1.604 1.00 32.54 C ATOM 1589 C THR B 404 12.285 -0.717 1.090 1.00 73.45 C ATOM 1590 O THR B 404 12.418 -0.523 -0.118 1.00 50.12 O ATOM 1591 CB THR B 404 12.227 -3.119 1.764 1.00 64.52 C ATOM 1592 OG1 THR B 404 13.019 -3.336 0.591 1.00 74.54 O ATOM 1593 CG2 THR B 404 11.333 -4.326 2.008 1.00 14.40 C ATOM 0 H THR B 404 10.444 -1.864 -0.268 1.00 3.21 H new ATOM 0 HA THR B 404 10.980 -1.554 2.574 1.00 32.54 H new ATOM 0 HB THR B 404 12.882 -2.992 2.626 1.00 64.52 H new ATOM 0 HG1 THR B 404 13.909 -3.653 0.851 1.00 74.54 H new ATOM 0 HG21 THR B 404 11.949 -5.219 2.118 1.00 14.40 H new ATOM 0 HG22 THR B 404 10.753 -4.171 2.918 1.00 14.40 H new ATOM 0 HG23 THR B 404 10.656 -4.454 1.163 1.00 14.40 H new ATOM 1601 N ARG B 405 12.898 0.015 2.013 1.00 53.43 N ATOM 1602 CA ARG B 405 13.782 1.116 1.651 1.00 11.14 C ATOM 1603 C ARG B 405 14.795 0.677 0.599 1.00 71.14 C ATOM 1604 O ARG B 405 15.322 -0.434 0.656 1.00 1.14 O ATOM 1605 CB ARG B 405 14.511 1.640 2.890 1.00 5.40 C ATOM 1606 CG ARG B 405 13.635 2.484 3.801 1.00 31.03 C ATOM 1607 CD ARG B 405 14.393 2.937 5.039 1.00 5.41 C ATOM 1608 NE ARG B 405 15.779 3.283 4.736 1.00 64.22 N ATOM 1609 CZ ARG B 405 16.133 4.351 4.032 1.00 45.22 C ATOM 1610 NH1 ARG B 405 15.208 5.175 3.560 1.00 43.42 N ATOM 1611 NH2 ARG B 405 17.416 4.598 3.797 1.00 4.31 N ATOM 0 H ARG B 405 12.799 -0.134 3.017 1.00 53.43 H new ATOM 0 HA ARG B 405 13.172 1.916 1.231 1.00 11.14 H new ATOM 0 HB2 ARG B 405 14.901 0.794 3.456 1.00 5.40 H new ATOM 0 HB3 ARG B 405 15.368 2.234 2.573 1.00 5.40 H new ATOM 0 HG2 ARG B 405 13.274 3.355 3.255 1.00 31.03 H new ATOM 0 HG3 ARG B 405 12.758 1.909 4.100 1.00 31.03 H new ATOM 0 HD2 ARG B 405 13.891 3.800 5.476 1.00 5.41 H new ATOM 0 HD3 ARG B 405 14.372 2.144 5.787 1.00 5.41 H new ATOM 0 HE ARG B 405 16.516 2.670 5.085 1.00 64.22 H new ATOM 0 HH11 ARG B 405 14.221 4.989 3.738 1.00 43.42 H new ATOM 0 HH12 ARG B 405 15.483 5.995 3.019 1.00 43.42 H new ATOM 0 HH21 ARG B 405 18.131 3.967 4.158 1.00 4.31 H new ATOM 0 HH22 ARG B 405 17.686 5.419 3.256 1.00 4.31 H new