USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 440 THR OG1 : rot 21:sc= 0.833 USER MOD Set 1.2: A 446 SER OG : rot 10:sc= 0.0982 USER MOD Single : A 374 SER OG : rot 180:sc= 0 USER MOD Single : A 375 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 376 GLN : amide:sc= -0.11 X(o=-0.11,f=0.16) USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ -128:sc= -0.587! (180deg=-1.53!) USER MOD Single : A 397 SER OG : rot -46:sc= 0.104 USER MOD Single : A 399 SER OG : rot -10:sc= 0.793 USER MOD Single : A 406 THR OG1 : rot -130:sc= -1.07 USER MOD Single : A 414 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 420 ASN : amide:sc= -1.02 K(o=-1,f=-1.9!) USER MOD Single : A 421 ASN : amide:sc= 0.398 X(o=0.4,f=-0.025) USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 136:sc= 1.02 USER MOD Single : A 436 ASN : amide:sc= -0.361 K(o=-0.36,f=-4.7!) USER MOD Single : A 438 MET CE :methyl -163:sc= -0.113 (180deg=-0.509) USER MOD Single : A 442 SER OG : rot 180:sc= 0 USER MOD Single : A 449 ASN : amide:sc= -2.29! K(o=-2.3!,f=-0.082) USER MOD Single : A 451 SER OG : rot -47:sc= 0.114 USER MOD Single : A 453 THR OG1 : rot 42:sc= 1.26 USER MOD Single : A 454 MET CE :methyl 162:sc= -0.123 (180deg=-0.618) USER MOD Single : A 457 SER OG : rot -1:sc= 0.623 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 372 117.030 -20.379 8.441 1.00 0.00 N ATOM 2 CA GLU A 372 116.925 -20.406 6.985 1.00 0.00 C ATOM 3 C GLU A 372 118.235 -19.941 6.310 1.00 0.00 C ATOM 4 O GLU A 372 118.921 -20.775 5.716 1.00 0.00 O ATOM 5 CB GLU A 372 115.624 -19.698 6.483 1.00 0.00 C ATOM 6 CG GLU A 372 115.510 -19.472 4.968 1.00 0.00 C ATOM 7 CD GLU A 372 115.686 -20.721 4.142 1.00 0.00 C ATOM 8 OE1 GLU A 372 114.817 -21.608 4.171 1.00 0.00 O ATOM 9 OE2 GLU A 372 116.707 -20.836 3.448 1.00 0.00 O ATOM 0 HA GLU A 372 116.807 -21.441 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 372 114.767 -20.289 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 372 115.548 -18.730 6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 372 114.534 -19.040 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 372 116.258 -18.740 4.664 1.00 0.00 H new ATOM 16 N PRO A 373 118.655 -18.648 6.374 1.00 0.00 N ATOM 17 CA PRO A 373 119.906 -18.262 5.780 1.00 0.00 C ATOM 18 C PRO A 373 121.079 -18.418 6.749 1.00 0.00 C ATOM 19 O PRO A 373 121.113 -17.810 7.827 1.00 0.00 O ATOM 20 CB PRO A 373 119.694 -16.813 5.410 1.00 0.00 C ATOM 21 CG PRO A 373 118.707 -16.285 6.409 1.00 0.00 C ATOM 22 CD PRO A 373 117.970 -17.476 6.982 1.00 0.00 C ATOM 0 HA PRO A 373 120.165 -18.889 4.927 1.00 0.00 H new ATOM 0 HB2 PRO A 373 120.630 -16.256 5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 373 119.312 -16.719 4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 373 119.217 -15.732 7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 373 118.011 -15.594 5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 373 118.031 -17.498 8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 373 116.912 -17.453 6.723 1.00 0.00 H new ATOM 30 N SER A 374 122.027 -19.224 6.378 1.00 0.00 N ATOM 31 CA SER A 374 123.177 -19.455 7.206 1.00 0.00 C ATOM 32 C SER A 374 124.306 -18.497 6.832 1.00 0.00 C ATOM 33 O SER A 374 125.350 -18.460 7.484 1.00 0.00 O ATOM 34 CB SER A 374 123.634 -20.899 7.040 1.00 0.00 C ATOM 35 OG SER A 374 122.562 -21.802 7.290 1.00 0.00 O ATOM 0 H SER A 374 122.028 -19.739 5.498 1.00 0.00 H new ATOM 0 HA SER A 374 122.910 -19.276 8.248 1.00 0.00 H new ATOM 0 HB2 SER A 374 124.015 -21.051 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 374 124.456 -21.106 7.725 1.00 0.00 H new ATOM 0 HG SER A 374 122.877 -22.723 7.176 1.00 0.00 H new ATOM 41 N SER A 375 124.099 -17.724 5.790 1.00 0.00 N ATOM 42 CA SER A 375 125.092 -16.787 5.337 1.00 0.00 C ATOM 43 C SER A 375 124.425 -15.583 4.690 1.00 0.00 C ATOM 44 O SER A 375 123.889 -15.682 3.583 1.00 0.00 O ATOM 45 CB SER A 375 126.025 -17.469 4.329 1.00 0.00 C ATOM 46 OG SER A 375 126.663 -18.614 4.898 1.00 0.00 O ATOM 0 H SER A 375 123.241 -17.729 5.238 1.00 0.00 H new ATOM 0 HA SER A 375 125.673 -16.447 6.194 1.00 0.00 H new ATOM 0 HB2 SER A 375 125.455 -17.768 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 375 126.781 -16.759 3.993 1.00 0.00 H new ATOM 0 HG SER A 375 127.249 -19.027 4.230 1.00 0.00 H new ATOM 52 N GLN A 376 124.454 -14.461 5.377 1.00 0.00 N ATOM 53 CA GLN A 376 123.889 -13.231 4.854 1.00 0.00 C ATOM 54 C GLN A 376 124.935 -12.124 4.800 1.00 0.00 C ATOM 55 O GLN A 376 125.261 -11.693 3.703 1.00 0.00 O ATOM 56 CB GLN A 376 122.618 -12.790 5.597 1.00 0.00 C ATOM 57 CG GLN A 376 121.420 -13.684 5.377 1.00 0.00 C ATOM 58 CD GLN A 376 120.861 -13.585 3.968 1.00 0.00 C ATOM 59 OE1 GLN A 376 121.259 -14.318 3.070 1.00 0.00 O ATOM 60 NE2 GLN A 376 119.938 -12.688 3.769 1.00 0.00 N ATOM 0 H GLN A 376 124.866 -14.373 6.306 1.00 0.00 H new ATOM 0 HA GLN A 376 123.574 -13.441 3.832 1.00 0.00 H new ATOM 0 HB2 GLN A 376 122.833 -12.748 6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 376 122.362 -11.778 5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 376 121.702 -14.717 5.579 1.00 0.00 H new ATOM 0 HG3 GLN A 376 120.640 -13.421 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 376 119.630 -12.094 4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 376 119.523 -12.579 2.843 1.00 0.00 H new ATOM 69 N PRO A 377 125.518 -11.634 5.954 1.00 0.00 N ATOM 70 CA PRO A 377 126.579 -10.624 5.899 1.00 0.00 C ATOM 71 C PRO A 377 127.854 -11.181 5.247 1.00 0.00 C ATOM 72 O PRO A 377 128.765 -11.646 5.918 1.00 0.00 O ATOM 73 CB PRO A 377 126.840 -10.249 7.366 1.00 0.00 C ATOM 74 CG PRO A 377 126.286 -11.374 8.166 1.00 0.00 C ATOM 75 CD PRO A 377 125.164 -11.962 7.360 1.00 0.00 C ATOM 0 HA PRO A 377 126.286 -9.765 5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 377 127.906 -10.120 7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 377 126.355 -9.308 7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 377 127.053 -12.122 8.366 1.00 0.00 H new ATOM 0 HG3 PRO A 377 125.926 -11.022 9.132 1.00 0.00 H new ATOM 0 HD2 PRO A 377 125.086 -13.039 7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 377 124.203 -11.531 7.640 1.00 0.00 H new ATOM 83 N SER A 378 127.848 -11.222 3.946 1.00 0.00 N ATOM 84 CA SER A 378 128.956 -11.736 3.198 1.00 0.00 C ATOM 85 C SER A 378 129.456 -10.684 2.208 1.00 0.00 C ATOM 86 O SER A 378 130.662 -10.573 1.966 1.00 0.00 O ATOM 87 CB SER A 378 128.523 -13.019 2.479 1.00 0.00 C ATOM 88 OG SER A 378 127.769 -13.856 3.364 1.00 0.00 O ATOM 0 H SER A 378 127.070 -10.898 3.372 1.00 0.00 H new ATOM 0 HA SER A 378 129.780 -11.974 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 378 127.922 -12.769 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 378 129.401 -13.556 2.119 1.00 0.00 H new ATOM 0 HG SER A 378 127.497 -14.671 2.892 1.00 0.00 H new ATOM 94 N ASP A 379 128.527 -9.881 1.650 1.00 0.00 N ATOM 95 CA ASP A 379 128.952 -8.817 0.709 1.00 0.00 C ATOM 96 C ASP A 379 129.568 -7.687 1.516 1.00 0.00 C ATOM 97 O ASP A 379 130.792 -7.530 1.563 1.00 0.00 O ATOM 98 CB ASP A 379 127.771 -8.284 -0.118 1.00 0.00 C ATOM 99 CG ASP A 379 128.186 -7.339 -1.222 1.00 0.00 C ATOM 100 OD1 ASP A 379 128.540 -7.794 -2.317 1.00 0.00 O ATOM 101 OD2 ASP A 379 128.119 -6.135 -1.027 1.00 0.00 O ATOM 0 H ASP A 379 127.523 -9.939 1.821 1.00 0.00 H new ATOM 0 HA ASP A 379 129.676 -9.233 0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 379 127.234 -9.126 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 379 127.075 -7.771 0.546 1.00 0.00 H new ATOM 106 N CYS A 380 128.703 -6.957 2.203 1.00 0.00 N ATOM 107 CA CYS A 380 129.058 -5.898 3.113 1.00 0.00 C ATOM 108 C CYS A 380 127.775 -5.341 3.652 1.00 0.00 C ATOM 109 O CYS A 380 127.434 -5.568 4.805 1.00 0.00 O ATOM 110 CB CYS A 380 129.890 -4.798 2.437 1.00 0.00 C ATOM 111 SG CYS A 380 130.289 -3.365 3.504 1.00 0.00 S ATOM 0 H CYS A 380 127.695 -7.098 2.133 1.00 0.00 H new ATOM 0 HA CYS A 380 129.686 -6.293 3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 380 130.822 -5.236 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 380 129.349 -4.440 1.561 1.00 0.00 H new ATOM 116 N GLY A 381 127.018 -4.699 2.786 1.00 0.00 N ATOM 117 CA GLY A 381 125.773 -4.139 3.191 1.00 0.00 C ATOM 118 C GLY A 381 124.670 -4.346 2.191 1.00 0.00 C ATOM 119 O GLY A 381 123.576 -3.818 2.340 1.00 0.00 O ATOM 0 H GLY A 381 127.254 -4.559 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 381 125.477 -4.580 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 381 125.902 -3.070 3.362 1.00 0.00 H new ATOM 123 N GLU A 382 124.941 -5.130 1.182 1.00 0.00 N ATOM 124 CA GLU A 382 123.918 -5.470 0.217 1.00 0.00 C ATOM 125 C GLU A 382 123.093 -6.590 0.819 1.00 0.00 C ATOM 126 O GLU A 382 121.876 -6.687 0.638 1.00 0.00 O ATOM 127 CB GLU A 382 124.580 -5.951 -1.079 1.00 0.00 C ATOM 128 CG GLU A 382 123.624 -6.284 -2.205 1.00 0.00 C ATOM 129 CD GLU A 382 122.830 -5.097 -2.663 1.00 0.00 C ATOM 130 OE1 GLU A 382 122.015 -4.582 -1.893 1.00 0.00 O ATOM 131 OE2 GLU A 382 122.942 -4.694 -3.838 1.00 0.00 O ATOM 0 H GLU A 382 125.855 -5.546 1.003 1.00 0.00 H new ATOM 0 HA GLU A 382 123.291 -4.608 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 382 125.269 -5.180 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 382 125.177 -6.835 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 382 124.188 -6.685 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 382 122.941 -7.067 -1.876 1.00 0.00 H new ATOM 138 N VAL A 383 123.771 -7.391 1.600 1.00 0.00 N ATOM 139 CA VAL A 383 123.163 -8.486 2.276 1.00 0.00 C ATOM 140 C VAL A 383 123.271 -8.355 3.774 1.00 0.00 C ATOM 141 O VAL A 383 124.138 -8.955 4.383 1.00 0.00 O ATOM 142 CB VAL A 383 123.669 -9.869 1.835 1.00 0.00 C ATOM 143 CG1 VAL A 383 122.676 -10.522 0.892 1.00 0.00 C ATOM 144 CG2 VAL A 383 125.031 -9.744 1.185 1.00 0.00 C ATOM 0 H VAL A 383 124.770 -7.293 1.780 1.00 0.00 H new ATOM 0 HA VAL A 383 122.115 -8.431 1.983 1.00 0.00 H new ATOM 0 HB VAL A 383 123.766 -10.505 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 383 123.050 -11.500 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 383 121.718 -10.641 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 383 122.546 -9.895 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 383 125.379 -10.730 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 383 124.959 -9.095 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 383 125.736 -9.317 1.898 1.00 0.00 H new ATOM 154 N ILE A 384 122.468 -7.477 4.342 1.00 0.00 N ATOM 155 CA ILE A 384 122.414 -7.292 5.797 1.00 0.00 C ATOM 156 C ILE A 384 120.992 -6.964 6.249 1.00 0.00 C ATOM 157 O ILE A 384 120.654 -5.813 6.477 1.00 0.00 O ATOM 158 CB ILE A 384 123.406 -6.196 6.338 1.00 0.00 C ATOM 159 CG1 ILE A 384 123.272 -4.874 5.547 1.00 0.00 C ATOM 160 CG2 ILE A 384 124.842 -6.689 6.321 1.00 0.00 C ATOM 161 CD1 ILE A 384 124.088 -3.726 6.128 1.00 0.00 C ATOM 0 H ILE A 384 121.835 -6.871 3.821 1.00 0.00 H new ATOM 0 HA ILE A 384 122.734 -8.243 6.223 1.00 0.00 H new ATOM 0 HB ILE A 384 123.132 -5.997 7.374 1.00 0.00 H new ATOM 0 HG12 ILE A 384 123.584 -5.044 4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 384 122.222 -4.583 5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 384 125.500 -5.907 6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 384 124.930 -7.575 6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 384 125.129 -6.940 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 384 123.944 -2.833 5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 384 123.761 -3.527 7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 384 125.144 -3.996 6.131 1.00 0.00 H new ATOM 173 N GLU A 385 120.134 -7.985 6.285 1.00 0.00 N ATOM 174 CA GLU A 385 118.704 -7.837 6.665 1.00 0.00 C ATOM 175 C GLU A 385 117.949 -6.890 5.669 1.00 0.00 C ATOM 176 O GLU A 385 116.779 -6.542 5.857 1.00 0.00 O ATOM 177 CB GLU A 385 118.607 -7.324 8.132 1.00 0.00 C ATOM 178 CG GLU A 385 117.210 -7.313 8.724 1.00 0.00 C ATOM 179 CD GLU A 385 116.601 -8.685 8.759 1.00 0.00 C ATOM 180 OE1 GLU A 385 116.789 -9.406 9.754 1.00 0.00 O ATOM 181 OE2 GLU A 385 115.925 -9.079 7.789 1.00 0.00 O ATOM 0 H GLU A 385 120.398 -8.943 6.054 1.00 0.00 H new ATOM 0 HA GLU A 385 118.216 -8.810 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 385 119.245 -7.946 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 385 119.009 -6.312 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 385 117.248 -6.908 9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 385 116.574 -6.649 8.139 1.00 0.00 H new ATOM 188 N GLU A 386 118.625 -6.548 4.593 1.00 0.00 N ATOM 189 CA GLU A 386 118.131 -5.621 3.613 1.00 0.00 C ATOM 190 C GLU A 386 116.991 -6.284 2.854 1.00 0.00 C ATOM 191 O GLU A 386 117.166 -7.340 2.219 1.00 0.00 O ATOM 192 CB GLU A 386 119.270 -5.249 2.652 1.00 0.00 C ATOM 193 CG GLU A 386 119.238 -3.835 2.061 1.00 0.00 C ATOM 194 CD GLU A 386 119.094 -2.733 3.075 1.00 0.00 C ATOM 195 OE1 GLU A 386 117.973 -2.486 3.569 1.00 0.00 O ATOM 196 OE2 GLU A 386 120.098 -2.070 3.370 1.00 0.00 O ATOM 0 H GLU A 386 119.551 -6.917 4.376 1.00 0.00 H new ATOM 0 HA GLU A 386 117.767 -4.712 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 386 120.215 -5.376 3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 386 119.267 -5.962 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 386 120.155 -3.672 1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 386 118.411 -3.770 1.354 1.00 0.00 H new ATOM 203 N CYS A 387 115.844 -5.681 2.943 1.00 0.00 N ATOM 204 CA CYS A 387 114.642 -6.147 2.280 1.00 0.00 C ATOM 205 C CYS A 387 114.704 -6.180 0.734 1.00 0.00 C ATOM 206 O CYS A 387 114.008 -7.012 0.172 1.00 0.00 O ATOM 207 CB CYS A 387 113.450 -5.313 2.670 1.00 0.00 C ATOM 208 SG CYS A 387 113.624 -3.554 2.273 1.00 0.00 S ATOM 0 H CYS A 387 115.704 -4.831 3.489 1.00 0.00 H new ATOM 0 HA CYS A 387 114.548 -7.178 2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 387 112.565 -5.703 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 387 113.280 -5.419 3.741 1.00 0.00 H new ATOM 213 N PRO A 388 115.487 -5.259 0.004 1.00 0.00 N ATOM 214 CA PRO A 388 115.503 -5.236 -1.442 1.00 0.00 C ATOM 215 C PRO A 388 115.836 -6.598 -2.123 1.00 0.00 C ATOM 216 O PRO A 388 114.975 -7.485 -2.180 1.00 0.00 O ATOM 217 CB PRO A 388 116.488 -4.112 -1.842 1.00 0.00 C ATOM 218 CG PRO A 388 117.170 -3.718 -0.589 1.00 0.00 C ATOM 219 CD PRO A 388 116.320 -4.184 0.539 1.00 0.00 C ATOM 0 HA PRO A 388 114.495 -5.040 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 388 117.204 -4.464 -2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 388 115.960 -3.267 -2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 388 118.162 -4.166 -0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 388 117.305 -2.637 -0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 388 116.933 -4.541 1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 388 115.706 -3.371 0.925 1.00 0.00 H new ATOM 227 N ILE A 389 117.060 -6.769 -2.669 1.00 0.00 N ATOM 228 CA ILE A 389 117.437 -8.023 -3.365 1.00 0.00 C ATOM 229 C ILE A 389 116.443 -8.260 -4.571 1.00 0.00 C ATOM 230 O ILE A 389 115.509 -7.439 -4.850 1.00 0.00 O ATOM 231 CB ILE A 389 117.407 -9.264 -2.338 1.00 0.00 C ATOM 232 CG1 ILE A 389 118.242 -8.974 -1.077 1.00 0.00 C ATOM 233 CG2 ILE A 389 117.895 -10.591 -2.951 1.00 0.00 C ATOM 234 CD1 ILE A 389 119.741 -8.903 -1.329 1.00 0.00 C ATOM 0 H ILE A 389 117.797 -6.065 -2.643 1.00 0.00 H new ATOM 0 HA ILE A 389 118.452 -7.939 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 389 116.355 -9.381 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 389 117.912 -8.030 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 389 118.045 -9.750 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 389 117.846 -11.379 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 389 117.261 -10.856 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 389 118.924 -10.478 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 389 120.258 -8.696 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 389 120.088 -9.855 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 389 119.953 -8.108 -2.044 1.00 0.00 H new ATOM 246 N ASP A 390 116.613 -9.335 -5.270 1.00 0.00 N ATOM 247 CA ASP A 390 115.706 -9.728 -6.315 1.00 0.00 C ATOM 248 C ASP A 390 114.311 -10.010 -5.736 1.00 0.00 C ATOM 249 O ASP A 390 113.326 -9.984 -6.466 1.00 0.00 O ATOM 250 CB ASP A 390 116.237 -10.963 -7.026 1.00 0.00 C ATOM 251 CG ASP A 390 116.050 -12.246 -6.247 1.00 0.00 C ATOM 252 OD1 ASP A 390 116.942 -12.599 -5.467 1.00 0.00 O ATOM 253 OD2 ASP A 390 115.003 -12.922 -6.405 1.00 0.00 O ATOM 0 H ASP A 390 117.394 -9.977 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 390 115.625 -8.912 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 390 115.737 -11.058 -7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 390 117.299 -10.825 -7.230 1.00 0.00 H new ATOM 258 N ALA A 391 114.238 -10.202 -4.396 1.00 0.00 N ATOM 259 CA ALA A 391 112.994 -10.470 -3.697 1.00 0.00 C ATOM 260 C ALA A 391 112.108 -9.263 -3.789 1.00 0.00 C ATOM 261 O ALA A 391 110.890 -9.366 -3.722 1.00 0.00 O ATOM 262 CB ALA A 391 113.244 -10.834 -2.238 1.00 0.00 C ATOM 0 H ALA A 391 115.053 -10.172 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 391 112.505 -11.323 -4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 391 112.292 -11.029 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 391 113.868 -11.726 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 391 113.750 -10.008 -1.739 1.00 0.00 H new ATOM 268 N CYS A 392 112.742 -8.118 -3.916 1.00 0.00 N ATOM 269 CA CYS A 392 112.048 -6.893 -4.178 1.00 0.00 C ATOM 270 C CYS A 392 111.464 -7.005 -5.568 1.00 0.00 C ATOM 271 O CYS A 392 110.240 -7.023 -5.724 1.00 0.00 O ATOM 272 CB CYS A 392 113.024 -5.689 -4.018 1.00 0.00 C ATOM 273 SG CYS A 392 112.448 -3.956 -4.363 1.00 0.00 S ATOM 0 H CYS A 392 113.754 -8.018 -3.839 1.00 0.00 H new ATOM 0 HA CYS A 392 111.238 -6.718 -3.470 1.00 0.00 H new ATOM 0 HB2 CYS A 392 113.392 -5.707 -2.992 1.00 0.00 H new ATOM 0 HB3 CYS A 392 113.879 -5.879 -4.667 1.00 0.00 H new ATOM 278 N PHE A 393 112.361 -7.235 -6.524 1.00 0.00 N ATOM 279 CA PHE A 393 112.081 -7.349 -7.967 1.00 0.00 C ATOM 280 C PHE A 393 113.364 -7.006 -8.662 1.00 0.00 C ATOM 281 O PHE A 393 113.629 -5.835 -8.838 1.00 0.00 O ATOM 282 CB PHE A 393 110.991 -6.358 -8.486 1.00 0.00 C ATOM 283 CG PHE A 393 109.690 -7.024 -8.882 1.00 0.00 C ATOM 284 CD1 PHE A 393 109.648 -7.888 -9.965 1.00 0.00 C ATOM 285 CD2 PHE A 393 108.515 -6.780 -8.184 1.00 0.00 C ATOM 286 CE1 PHE A 393 108.467 -8.495 -10.341 1.00 0.00 C ATOM 287 CE2 PHE A 393 107.331 -7.387 -8.555 1.00 0.00 C ATOM 288 CZ PHE A 393 107.308 -8.246 -9.634 1.00 0.00 C ATOM 0 H PHE A 393 113.352 -7.354 -6.311 1.00 0.00 H new ATOM 0 HA PHE A 393 111.709 -8.355 -8.162 1.00 0.00 H new ATOM 0 HB2 PHE A 393 110.788 -5.619 -7.711 1.00 0.00 H new ATOM 0 HB3 PHE A 393 111.386 -5.817 -9.346 1.00 0.00 H new ATOM 0 HD1 PHE A 393 110.551 -8.089 -10.522 1.00 0.00 H new ATOM 0 HD2 PHE A 393 108.527 -6.107 -7.340 1.00 0.00 H new ATOM 0 HE1 PHE A 393 108.450 -9.165 -11.188 1.00 0.00 H new ATOM 0 HE2 PHE A 393 106.425 -7.189 -8.001 1.00 0.00 H new ATOM 0 HZ PHE A 393 106.384 -8.723 -9.925 1.00 0.00 H new ATOM 298 N LEU A 394 114.225 -8.009 -8.925 1.00 0.00 N ATOM 299 CA LEU A 394 115.541 -7.771 -9.566 1.00 0.00 C ATOM 300 C LEU A 394 116.486 -7.118 -8.552 1.00 0.00 C ATOM 301 O LEU A 394 116.045 -6.638 -7.507 1.00 0.00 O ATOM 302 CB LEU A 394 115.437 -6.851 -10.833 1.00 0.00 C ATOM 303 CG LEU A 394 114.822 -7.396 -12.122 1.00 0.00 C ATOM 304 CD1 LEU A 394 114.488 -6.229 -13.037 1.00 0.00 C ATOM 305 CD2 LEU A 394 115.786 -8.334 -12.857 1.00 0.00 C ATOM 0 H LEU A 394 114.038 -8.988 -8.706 1.00 0.00 H new ATOM 0 HA LEU A 394 115.924 -8.738 -9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 394 114.864 -5.969 -10.548 1.00 0.00 H new ATOM 0 HB3 LEU A 394 116.445 -6.513 -11.072 1.00 0.00 H new ATOM 0 HG LEU A 394 113.927 -7.961 -11.859 1.00 0.00 H new ATOM 0 HD11 LEU A 394 114.048 -6.605 -13.961 1.00 0.00 H new ATOM 0 HD12 LEU A 394 113.778 -5.568 -12.540 1.00 0.00 H new ATOM 0 HD13 LEU A 394 115.398 -5.675 -13.268 1.00 0.00 H new ATOM 0 HD21 LEU A 394 115.313 -8.701 -13.768 1.00 0.00 H new ATOM 0 HD22 LEU A 394 116.696 -7.792 -13.114 1.00 0.00 H new ATOM 0 HD23 LEU A 394 116.035 -9.177 -12.213 1.00 0.00 H new ATOM 317 N PRO A 395 117.800 -7.155 -8.803 1.00 0.00 N ATOM 318 CA PRO A 395 118.822 -6.420 -8.013 1.00 0.00 C ATOM 319 C PRO A 395 118.659 -4.900 -8.030 1.00 0.00 C ATOM 320 O PRO A 395 119.639 -4.194 -8.146 1.00 0.00 O ATOM 321 CB PRO A 395 120.141 -6.792 -8.700 1.00 0.00 C ATOM 322 CG PRO A 395 119.745 -7.391 -10.005 1.00 0.00 C ATOM 323 CD PRO A 395 118.443 -8.041 -9.769 1.00 0.00 C ATOM 0 HA PRO A 395 118.752 -6.693 -6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 395 120.771 -5.914 -8.844 1.00 0.00 H new ATOM 0 HB3 PRO A 395 120.712 -7.499 -8.099 1.00 0.00 H new ATOM 0 HG2 PRO A 395 119.666 -6.627 -10.778 1.00 0.00 H new ATOM 0 HG3 PRO A 395 120.487 -8.113 -10.345 1.00 0.00 H new ATOM 0 HD2 PRO A 395 117.862 -8.125 -10.688 1.00 0.00 H new ATOM 0 HD3 PRO A 395 118.562 -9.050 -9.374 1.00 0.00 H new ATOM 331 N LYS A 396 117.430 -4.448 -7.793 1.00 0.00 N ATOM 332 CA LYS A 396 116.975 -3.048 -7.665 1.00 0.00 C ATOM 333 C LYS A 396 117.668 -1.955 -8.482 1.00 0.00 C ATOM 334 O LYS A 396 117.064 -1.371 -9.412 1.00 0.00 O ATOM 335 CB LYS A 396 116.643 -2.705 -6.212 1.00 0.00 C ATOM 336 CG LYS A 396 117.579 -3.297 -5.193 1.00 0.00 C ATOM 337 CD LYS A 396 118.831 -2.445 -5.064 1.00 0.00 C ATOM 338 CE LYS A 396 120.083 -3.287 -5.104 1.00 0.00 C ATOM 339 NZ LYS A 396 120.278 -4.049 -3.882 1.00 0.00 N ATOM 0 H LYS A 396 116.654 -5.099 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 396 116.043 -3.033 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 396 116.645 -1.621 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 396 115.630 -3.046 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 396 117.078 -3.367 -4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 396 117.850 -4.311 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 396 118.858 -1.713 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 396 118.797 -1.887 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 396 120.030 -3.971 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 396 120.946 -2.642 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 121.236 -3.879 -3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 119.578 -3.752 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 120.159 -5.063 -4.082 1.00 0.00 H new ATOM 353 N SER A 397 118.906 -1.735 -8.183 1.00 0.00 N ATOM 354 CA SER A 397 119.768 -0.812 -8.839 1.00 0.00 C ATOM 355 C SER A 397 120.244 -1.420 -10.167 1.00 0.00 C ATOM 356 O SER A 397 121.206 -0.968 -10.741 1.00 0.00 O ATOM 357 CB SER A 397 120.957 -0.499 -7.905 1.00 0.00 C ATOM 358 OG SER A 397 121.851 0.439 -8.476 1.00 0.00 O ATOM 0 H SER A 397 119.372 -2.230 -7.422 1.00 0.00 H new ATOM 0 HA SER A 397 119.244 0.118 -9.061 1.00 0.00 H new ATOM 0 HB2 SER A 397 120.581 -0.111 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 397 121.494 -1.421 -7.681 1.00 0.00 H new ATOM 0 HG SER A 397 122.030 0.195 -9.408 1.00 0.00 H new ATOM 364 N ASP A 398 119.547 -2.460 -10.619 1.00 0.00 N ATOM 365 CA ASP A 398 119.783 -3.070 -11.933 1.00 0.00 C ATOM 366 C ASP A 398 119.817 -2.022 -13.050 1.00 0.00 C ATOM 367 O ASP A 398 120.880 -1.616 -13.507 1.00 0.00 O ATOM 368 CB ASP A 398 118.772 -4.232 -12.197 1.00 0.00 C ATOM 369 CG ASP A 398 118.653 -4.645 -13.655 1.00 0.00 C ATOM 370 OD1 ASP A 398 119.442 -5.486 -14.121 1.00 0.00 O ATOM 371 OD2 ASP A 398 117.762 -4.122 -14.360 1.00 0.00 O ATOM 0 H ASP A 398 118.801 -2.907 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 398 120.776 -3.520 -11.929 1.00 0.00 H new ATOM 0 HB2 ASP A 398 119.074 -5.100 -11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 398 117.789 -3.930 -11.837 1.00 0.00 H new ATOM 376 N SER A 399 118.700 -1.591 -13.464 1.00 0.00 N ATOM 377 CA SER A 399 118.538 -0.547 -14.426 1.00 0.00 C ATOM 378 C SER A 399 117.124 -0.014 -14.245 1.00 0.00 C ATOM 379 O SER A 399 116.373 0.108 -15.214 1.00 0.00 O ATOM 380 CB SER A 399 118.718 -1.075 -15.879 1.00 0.00 C ATOM 381 OG SER A 399 119.999 -1.675 -16.051 1.00 0.00 O ATOM 0 H SER A 399 117.812 -1.968 -13.132 1.00 0.00 H new ATOM 0 HA SER A 399 119.291 0.227 -14.274 1.00 0.00 H new ATOM 0 HB2 SER A 399 117.939 -1.803 -16.104 1.00 0.00 H new ATOM 0 HB3 SER A 399 118.600 -0.253 -16.585 1.00 0.00 H new ATOM 0 HG SER A 399 120.558 -1.484 -15.269 1.00 0.00 H new ATOM 387 N ALA A 400 116.753 0.196 -12.960 1.00 0.00 N ATOM 388 CA ALA A 400 115.472 0.769 -12.558 1.00 0.00 C ATOM 389 C ALA A 400 114.342 -0.256 -12.575 1.00 0.00 C ATOM 390 O ALA A 400 113.596 -0.365 -13.552 1.00 0.00 O ATOM 391 CB ALA A 400 115.098 2.032 -13.356 1.00 0.00 C ATOM 0 H ALA A 400 117.354 -0.036 -12.170 1.00 0.00 H new ATOM 0 HA ALA A 400 115.608 1.083 -11.523 1.00 0.00 H new ATOM 0 HB1 ALA A 400 114.136 2.409 -13.010 1.00 0.00 H new ATOM 0 HB2 ALA A 400 115.862 2.795 -13.208 1.00 0.00 H new ATOM 0 HB3 ALA A 400 115.031 1.786 -14.416 1.00 0.00 H new ATOM 397 N ARG A 401 114.275 -1.078 -11.528 1.00 0.00 N ATOM 398 CA ARG A 401 113.194 -2.066 -11.417 1.00 0.00 C ATOM 399 C ARG A 401 111.878 -1.405 -11.042 1.00 0.00 C ATOM 400 O ARG A 401 111.900 -0.214 -10.694 1.00 0.00 O ATOM 401 CB ARG A 401 113.585 -3.213 -10.463 1.00 0.00 C ATOM 402 CG ARG A 401 114.053 -2.868 -9.051 1.00 0.00 C ATOM 403 CD ARG A 401 112.963 -2.522 -8.002 1.00 0.00 C ATOM 404 NE ARG A 401 112.574 -1.097 -7.935 1.00 0.00 N ATOM 405 CZ ARG A 401 112.477 -0.339 -6.803 1.00 0.00 C ATOM 406 NH1 ARG A 401 112.684 -0.867 -5.590 1.00 0.00 N ATOM 407 NH2 ARG A 401 112.093 0.924 -6.897 1.00 0.00 N ATOM 0 H ARG A 401 114.942 -1.084 -10.756 1.00 0.00 H new ATOM 0 HA ARG A 401 113.041 -2.518 -12.397 1.00 0.00 H new ATOM 0 HB2 ARG A 401 112.724 -3.875 -10.373 1.00 0.00 H new ATOM 0 HB3 ARG A 401 114.379 -3.786 -10.943 1.00 0.00 H new ATOM 0 HG2 ARG A 401 114.630 -3.712 -8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 401 114.735 -2.021 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 401 112.074 -3.114 -8.219 1.00 0.00 H new ATOM 0 HD3 ARG A 401 113.319 -2.830 -7.019 1.00 0.00 H new ATOM 0 HE ARG A 401 112.357 -0.636 -8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 401 112.920 -1.855 -5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 401 112.606 -0.281 -4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 401 111.872 1.323 -7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 401 112.018 1.498 -6.057 1.00 0.00 H new ATOM 421 N PRO A 402 110.706 -2.138 -11.148 1.00 0.00 N ATOM 422 CA PRO A 402 109.370 -1.617 -10.795 1.00 0.00 C ATOM 423 C PRO A 402 109.376 -0.691 -9.553 1.00 0.00 C ATOM 424 O PRO A 402 110.122 -0.908 -8.648 1.00 0.00 O ATOM 425 CB PRO A 402 108.578 -2.888 -10.518 1.00 0.00 C ATOM 426 CG PRO A 402 109.124 -3.874 -11.490 1.00 0.00 C ATOM 427 CD PRO A 402 110.582 -3.531 -11.684 1.00 0.00 C ATOM 0 HA PRO A 402 108.957 -0.991 -11.586 1.00 0.00 H new ATOM 0 HB2 PRO A 402 108.712 -3.225 -9.490 1.00 0.00 H new ATOM 0 HB3 PRO A 402 107.509 -2.732 -10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 402 109.012 -4.891 -11.114 1.00 0.00 H new ATOM 0 HG3 PRO A 402 108.585 -3.824 -12.436 1.00 0.00 H new ATOM 0 HD2 PRO A 402 111.229 -4.224 -11.146 1.00 0.00 H new ATOM 0 HD3 PRO A 402 110.866 -3.580 -12.735 1.00 0.00 H new ATOM 435 N PRO A 403 108.510 0.316 -9.507 1.00 0.00 N ATOM 436 CA PRO A 403 108.538 1.366 -8.466 1.00 0.00 C ATOM 437 C PRO A 403 108.302 0.871 -7.023 1.00 0.00 C ATOM 438 O PRO A 403 107.955 -0.284 -6.776 1.00 0.00 O ATOM 439 CB PRO A 403 107.424 2.308 -8.890 1.00 0.00 C ATOM 440 CG PRO A 403 106.529 1.468 -9.727 1.00 0.00 C ATOM 441 CD PRO A 403 107.397 0.485 -10.420 1.00 0.00 C ATOM 0 HA PRO A 403 109.529 1.816 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 403 106.896 2.713 -8.027 1.00 0.00 H new ATOM 0 HB3 PRO A 403 107.814 3.156 -9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 403 105.785 0.962 -9.112 1.00 0.00 H new ATOM 0 HG3 PRO A 403 105.985 2.080 -10.447 1.00 0.00 H new ATOM 0 HD2 PRO A 403 106.876 -0.456 -10.597 1.00 0.00 H new ATOM 0 HD3 PRO A 403 107.727 0.855 -11.391 1.00 0.00 H new ATOM 449 N ASP A 404 108.426 1.779 -6.085 1.00 0.00 N ATOM 450 CA ASP A 404 108.338 1.498 -4.633 1.00 0.00 C ATOM 451 C ASP A 404 106.905 1.619 -4.047 1.00 0.00 C ATOM 452 O ASP A 404 106.721 2.107 -2.937 1.00 0.00 O ATOM 453 CB ASP A 404 109.243 2.464 -3.877 1.00 0.00 C ATOM 454 CG ASP A 404 110.730 2.280 -4.155 1.00 0.00 C ATOM 455 OD1 ASP A 404 111.376 1.420 -3.528 1.00 0.00 O ATOM 456 OD2 ASP A 404 111.276 3.003 -5.040 1.00 0.00 O ATOM 0 H ASP A 404 108.595 2.763 -6.293 1.00 0.00 H new ATOM 0 HA ASP A 404 108.648 0.460 -4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 404 108.961 3.485 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 404 109.068 2.346 -2.808 1.00 0.00 H new ATOM 461 N CYS A 405 105.920 1.212 -4.802 1.00 0.00 N ATOM 462 CA CYS A 405 104.507 1.067 -4.301 1.00 0.00 C ATOM 463 C CYS A 405 103.815 2.340 -3.883 1.00 0.00 C ATOM 464 O CYS A 405 103.014 2.844 -4.635 1.00 0.00 O ATOM 465 CB CYS A 405 104.382 0.042 -3.206 1.00 0.00 C ATOM 466 SG CYS A 405 104.294 -1.675 -3.789 1.00 0.00 S ATOM 0 H CYS A 405 106.035 0.963 -5.784 1.00 0.00 H new ATOM 0 HA CYS A 405 103.982 0.723 -5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 405 105.234 0.141 -2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 405 103.488 0.260 -2.622 1.00 0.00 H new ATOM 471 N THR A 406 104.029 2.817 -2.644 1.00 0.00 N ATOM 472 CA THR A 406 103.535 4.139 -2.208 1.00 0.00 C ATOM 473 C THR A 406 103.877 5.170 -3.290 1.00 0.00 C ATOM 474 O THR A 406 103.096 6.047 -3.644 1.00 0.00 O ATOM 475 CB THR A 406 104.247 4.516 -0.891 1.00 0.00 C ATOM 476 OG1 THR A 406 103.788 3.714 0.199 1.00 0.00 O ATOM 477 CG2 THR A 406 104.126 5.980 -0.600 1.00 0.00 C ATOM 0 H THR A 406 104.541 2.307 -1.924 1.00 0.00 H new ATOM 0 HA THR A 406 102.457 4.116 -2.051 1.00 0.00 H new ATOM 0 HB THR A 406 105.309 4.304 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 406 103.548 4.293 0.953 1.00 0.00 H new ATOM 0 HG21 THR A 406 104.639 6.209 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 406 104.578 6.551 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 406 103.073 6.247 -0.511 1.00 0.00 H new ATOM 485 N ALA A 407 105.040 4.962 -3.795 1.00 0.00 N ATOM 486 CA ALA A 407 105.626 5.629 -4.919 1.00 0.00 C ATOM 487 C ALA A 407 104.637 5.744 -6.150 1.00 0.00 C ATOM 488 O ALA A 407 104.750 6.670 -6.937 1.00 0.00 O ATOM 489 CB ALA A 407 106.860 4.829 -5.229 1.00 0.00 C ATOM 0 H ALA A 407 105.667 4.260 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 407 105.865 6.669 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 407 107.375 5.271 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 407 107.523 4.832 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 407 106.578 3.803 -5.467 1.00 0.00 H new ATOM 495 N VAL A 408 103.664 4.820 -6.275 1.00 0.00 N ATOM 496 CA VAL A 408 102.644 4.859 -7.340 1.00 0.00 C ATOM 497 C VAL A 408 101.262 5.153 -6.723 1.00 0.00 C ATOM 498 O VAL A 408 100.324 5.531 -7.415 1.00 0.00 O ATOM 499 CB VAL A 408 102.555 3.501 -8.143 1.00 0.00 C ATOM 500 CG1 VAL A 408 103.911 2.996 -8.517 1.00 0.00 C ATOM 501 CG2 VAL A 408 101.780 2.406 -7.413 1.00 0.00 C ATOM 0 H VAL A 408 103.564 4.027 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 408 102.940 5.645 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 408 101.995 3.741 -9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 408 103.812 2.061 -9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 408 104.414 3.734 -9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 408 104.497 2.825 -7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 408 101.761 1.504 -8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 408 102.266 2.189 -6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 408 100.759 2.742 -7.231 1.00 0.00 H new ATOM 511 N GLY A 409 101.164 4.970 -5.413 1.00 0.00 N ATOM 512 CA GLY A 409 99.920 5.159 -4.746 1.00 0.00 C ATOM 513 C GLY A 409 99.483 3.969 -3.911 1.00 0.00 C ATOM 514 O GLY A 409 98.304 3.838 -3.613 1.00 0.00 O ATOM 0 H GLY A 409 101.938 4.692 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 409 99.994 6.035 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 409 99.150 5.373 -5.487 1.00 0.00 H new ATOM 518 N ARG A 410 100.403 3.063 -3.600 1.00 0.00 N ATOM 519 CA ARG A 410 100.151 1.932 -2.703 1.00 0.00 C ATOM 520 C ARG A 410 100.712 2.189 -1.318 1.00 0.00 C ATOM 521 O ARG A 410 101.785 1.667 -0.995 1.00 0.00 O ATOM 522 CB ARG A 410 100.848 0.670 -3.205 1.00 0.00 C ATOM 523 CG ARG A 410 100.145 -0.076 -4.282 1.00 0.00 C ATOM 524 CD ARG A 410 98.612 -0.108 -4.076 1.00 0.00 C ATOM 525 NE ARG A 410 97.884 1.094 -4.455 1.00 0.00 N ATOM 526 CZ ARG A 410 96.591 1.110 -4.798 1.00 0.00 C ATOM 527 NH1 ARG A 410 95.918 -0.034 -4.961 1.00 0.00 N ATOM 528 NH2 ARG A 410 95.978 2.265 -5.006 1.00 0.00 N ATOM 0 H ARG A 410 101.355 3.090 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 410 99.069 1.808 -2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 410 101.839 0.945 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 410 100.993 -0.002 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 410 100.370 0.384 -5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 410 100.525 -1.097 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 410 98.208 -0.946 -4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 410 98.413 -0.311 -3.024 1.00 0.00 H new ATOM 0 HE ARG A 410 98.391 1.979 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 410 96.390 -0.928 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 410 94.932 -0.013 -5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 410 96.492 3.140 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 410 94.992 2.279 -5.268 1.00 0.00 H new ATOM 542 N PRO A 411 100.054 2.975 -0.455 1.00 0.00 N ATOM 543 CA PRO A 411 100.580 3.245 0.883 1.00 0.00 C ATOM 544 C PRO A 411 100.439 2.014 1.755 1.00 0.00 C ATOM 545 O PRO A 411 101.113 1.869 2.758 1.00 0.00 O ATOM 546 CB PRO A 411 99.669 4.354 1.396 1.00 0.00 C ATOM 547 CG PRO A 411 98.380 4.081 0.718 1.00 0.00 C ATOM 548 CD PRO A 411 98.755 3.664 -0.662 1.00 0.00 C ATOM 0 HA PRO A 411 101.636 3.516 0.886 1.00 0.00 H new ATOM 0 HB2 PRO A 411 99.567 4.321 2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 411 100.055 5.341 1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 411 97.822 3.297 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 411 97.745 4.967 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 411 98.010 3.000 -1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 411 98.853 4.519 -1.331 1.00 0.00 H new ATOM 556 N ASP A 412 99.635 1.077 1.285 1.00 0.00 N ATOM 557 CA ASP A 412 99.327 -0.114 2.074 1.00 0.00 C ATOM 558 C ASP A 412 100.536 -1.045 2.000 1.00 0.00 C ATOM 559 O ASP A 412 100.880 -1.768 2.939 1.00 0.00 O ATOM 560 CB ASP A 412 98.072 -0.804 1.526 1.00 0.00 C ATOM 561 CG ASP A 412 97.340 -1.639 2.559 1.00 0.00 C ATOM 562 OD1 ASP A 412 97.952 -2.164 3.504 1.00 0.00 O ATOM 563 OD2 ASP A 412 96.099 -1.697 2.483 1.00 0.00 O ATOM 0 H ASP A 412 99.185 1.111 0.370 1.00 0.00 H new ATOM 0 HA ASP A 412 99.126 0.154 3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 412 97.392 -0.047 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 412 98.354 -1.442 0.689 1.00 0.00 H new ATOM 568 N CYS A 413 101.245 -0.902 0.908 1.00 0.00 N ATOM 569 CA CYS A 413 102.414 -1.700 0.648 1.00 0.00 C ATOM 570 C CYS A 413 103.609 -1.126 1.339 1.00 0.00 C ATOM 571 O CYS A 413 104.616 -1.758 1.392 1.00 0.00 O ATOM 572 CB CYS A 413 102.680 -1.808 -0.810 1.00 0.00 C ATOM 573 SG CYS A 413 101.305 -2.488 -1.760 1.00 0.00 S ATOM 0 H CYS A 413 101.026 -0.228 0.174 1.00 0.00 H new ATOM 0 HA CYS A 413 102.222 -2.699 1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 413 102.922 -0.819 -1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 413 103.559 -2.435 -0.963 1.00 0.00 H new ATOM 578 N ASN A 414 103.516 0.156 1.777 1.00 0.00 N ATOM 579 CA ASN A 414 104.549 0.744 2.680 1.00 0.00 C ATOM 580 C ASN A 414 104.978 -0.243 3.818 1.00 0.00 C ATOM 581 O ASN A 414 106.096 -0.167 4.373 1.00 0.00 O ATOM 582 CB ASN A 414 104.076 2.096 3.243 1.00 0.00 C ATOM 583 CG ASN A 414 105.078 2.788 4.156 1.00 0.00 C ATOM 584 OD1 ASN A 414 105.927 3.552 3.697 1.00 0.00 O ATOM 585 ND2 ASN A 414 104.959 2.583 5.433 1.00 0.00 N ATOM 0 H ASN A 414 102.758 0.792 1.529 1.00 0.00 H new ATOM 0 HA ASN A 414 105.441 0.923 2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 414 103.844 2.760 2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 414 103.149 1.941 3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 414 105.579 3.061 6.086 1.00 0.00 H new ATOM 0 HD22 ASN A 414 104.245 1.944 5.783 1.00 0.00 H new ATOM 592 N VAL A 415 104.125 -1.190 4.134 1.00 0.00 N ATOM 593 CA VAL A 415 104.517 -2.176 5.052 1.00 0.00 C ATOM 594 C VAL A 415 105.526 -3.133 4.442 1.00 0.00 C ATOM 595 O VAL A 415 105.261 -3.801 3.439 1.00 0.00 O ATOM 596 CB VAL A 415 103.380 -2.943 5.677 1.00 0.00 C ATOM 597 CG1 VAL A 415 103.959 -4.133 6.400 1.00 0.00 C ATOM 598 CG2 VAL A 415 102.658 -2.054 6.649 1.00 0.00 C ATOM 0 H VAL A 415 103.178 -1.279 3.765 1.00 0.00 H new ATOM 0 HA VAL A 415 104.986 -1.622 5.866 1.00 0.00 H new ATOM 0 HB VAL A 415 102.676 -3.277 4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 415 103.154 -4.705 6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 415 104.493 -4.765 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 415 104.649 -3.790 7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 415 101.835 -2.605 7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 415 103.349 -1.728 7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 415 102.266 -1.183 6.124 1.00 0.00 H new ATOM 608 N LEU A 416 106.672 -3.124 5.058 1.00 0.00 N ATOM 609 CA LEU A 416 107.813 -3.996 4.745 1.00 0.00 C ATOM 610 C LEU A 416 107.391 -5.487 4.425 1.00 0.00 C ATOM 611 O LEU A 416 107.654 -5.941 3.302 1.00 0.00 O ATOM 612 CB LEU A 416 108.853 -3.900 5.883 1.00 0.00 C ATOM 613 CG LEU A 416 110.308 -4.332 5.580 1.00 0.00 C ATOM 614 CD1 LEU A 416 110.421 -5.821 5.316 1.00 0.00 C ATOM 615 CD2 LEU A 416 110.830 -3.568 4.397 1.00 0.00 C ATOM 0 H LEU A 416 106.866 -2.487 5.831 1.00 0.00 H new ATOM 0 HA LEU A 416 108.270 -3.641 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 416 108.877 -2.866 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 416 108.493 -4.504 6.716 1.00 0.00 H new ATOM 0 HG LEU A 416 110.906 -4.108 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 416 111.460 -6.076 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 416 110.080 -6.373 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 416 109.804 -6.086 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 416 111.855 -3.876 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 416 110.205 -3.772 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 416 110.810 -2.500 4.616 1.00 0.00 H new ATOM 627 N PRO A 417 106.834 -6.320 5.401 1.00 0.00 N ATOM 628 CA PRO A 417 106.300 -7.636 5.047 1.00 0.00 C ATOM 629 C PRO A 417 105.233 -7.469 3.977 1.00 0.00 C ATOM 630 O PRO A 417 104.248 -6.753 4.187 1.00 0.00 O ATOM 631 CB PRO A 417 105.678 -8.175 6.346 1.00 0.00 C ATOM 632 CG PRO A 417 105.726 -7.055 7.331 1.00 0.00 C ATOM 633 CD PRO A 417 106.768 -6.090 6.856 1.00 0.00 C ATOM 0 HA PRO A 417 107.060 -8.311 4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 417 104.652 -8.502 6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 417 106.232 -9.039 6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 417 104.755 -6.566 7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 417 105.972 -7.428 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 417 106.492 -5.061 7.085 1.00 0.00 H new ATOM 0 HD3 PRO A 417 107.730 -6.276 7.333 1.00 0.00 H new ATOM 641 N PHE A 418 105.400 -8.150 2.868 1.00 0.00 N ATOM 642 CA PHE A 418 104.591 -7.895 1.718 1.00 0.00 C ATOM 643 C PHE A 418 103.242 -8.558 1.842 1.00 0.00 C ATOM 644 O PHE A 418 103.162 -9.784 1.992 1.00 0.00 O ATOM 645 CB PHE A 418 105.271 -8.423 0.463 1.00 0.00 C ATOM 646 CG PHE A 418 105.120 -7.490 -0.689 1.00 0.00 C ATOM 647 CD1 PHE A 418 105.674 -6.226 -0.643 1.00 0.00 C ATOM 648 CD2 PHE A 418 104.416 -7.861 -1.802 1.00 0.00 C ATOM 649 CE1 PHE A 418 105.512 -5.355 -1.700 1.00 0.00 C ATOM 650 CE2 PHE A 418 104.255 -7.004 -2.860 1.00 0.00 C ATOM 651 CZ PHE A 418 104.800 -5.750 -2.808 1.00 0.00 C ATOM 0 H PHE A 418 106.095 -8.887 2.746 1.00 0.00 H new ATOM 0 HA PHE A 418 104.458 -6.815 1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 418 106.330 -8.582 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 418 104.847 -9.393 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 418 106.237 -5.918 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 418 103.979 -8.848 -1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 418 105.943 -4.366 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 418 103.700 -7.318 -3.732 1.00 0.00 H new ATOM 0 HZ PHE A 418 104.671 -5.070 -3.637 1.00 0.00 H new ATOM 661 N PRO A 419 102.152 -7.777 1.839 1.00 0.00 N ATOM 662 CA PRO A 419 100.826 -8.339 1.850 1.00 0.00 C ATOM 663 C PRO A 419 100.533 -9.042 0.554 1.00 0.00 C ATOM 664 O PRO A 419 100.128 -10.190 0.566 1.00 0.00 O ATOM 665 CB PRO A 419 99.882 -7.147 2.019 1.00 0.00 C ATOM 666 CG PRO A 419 100.746 -5.991 2.405 1.00 0.00 C ATOM 667 CD PRO A 419 102.134 -6.297 1.899 1.00 0.00 C ATOM 0 HA PRO A 419 100.712 -9.075 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 419 99.344 -6.941 1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 419 99.133 -7.348 2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 419 100.371 -5.065 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 419 100.750 -5.855 3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 419 102.313 -5.852 0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 419 102.902 -5.912 2.570 1.00 0.00 H new ATOM 675 N ASN A 420 100.716 -8.311 -0.581 1.00 0.00 N ATOM 676 CA ASN A 420 100.427 -8.790 -1.963 1.00 0.00 C ATOM 677 C ASN A 420 99.087 -9.446 -2.083 1.00 0.00 C ATOM 678 O ASN A 420 98.848 -10.304 -2.928 1.00 0.00 O ATOM 679 CB ASN A 420 101.582 -9.570 -2.696 1.00 0.00 C ATOM 680 CG ASN A 420 102.363 -10.678 -1.953 1.00 0.00 C ATOM 681 OD1 ASN A 420 103.555 -10.836 -2.191 1.00 0.00 O ATOM 682 ND2 ASN A 420 101.743 -11.506 -1.178 1.00 0.00 N ATOM 0 H ASN A 420 101.075 -7.356 -0.561 1.00 0.00 H new ATOM 0 HA ASN A 420 100.379 -7.866 -2.539 1.00 0.00 H new ATOM 0 HB2 ASN A 420 101.151 -10.022 -3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 420 102.309 -8.831 -3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 420 102.246 -12.291 -0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 420 100.751 -11.374 -0.980 1.00 0.00 H new ATOM 689 N ASN A 421 98.213 -9.014 -1.221 1.00 0.00 N ATOM 690 CA ASN A 421 96.892 -9.539 -1.134 1.00 0.00 C ATOM 691 C ASN A 421 95.833 -8.465 -0.847 1.00 0.00 C ATOM 692 O ASN A 421 94.678 -8.787 -0.578 1.00 0.00 O ATOM 693 CB ASN A 421 96.845 -10.608 -0.036 1.00 0.00 C ATOM 694 CG ASN A 421 96.662 -12.024 -0.543 1.00 0.00 C ATOM 695 OD1 ASN A 421 96.043 -12.846 0.114 1.00 0.00 O ATOM 696 ND2 ASN A 421 97.227 -12.334 -1.684 1.00 0.00 N ATOM 0 H ASN A 421 98.408 -8.272 -0.548 1.00 0.00 H new ATOM 0 HA ASN A 421 96.653 -9.968 -2.107 1.00 0.00 H new ATOM 0 HB2 ASN A 421 97.769 -10.559 0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 421 96.029 -10.372 0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 421 97.156 -13.285 -2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 421 97.737 -11.624 -2.210 1.00 0.00 H new ATOM 703 N ILE A 422 96.203 -7.204 -0.973 1.00 0.00 N ATOM 704 CA ILE A 422 95.311 -6.078 -0.618 1.00 0.00 C ATOM 705 C ILE A 422 95.536 -4.842 -1.523 1.00 0.00 C ATOM 706 O ILE A 422 94.605 -4.351 -2.131 1.00 0.00 O ATOM 707 CB ILE A 422 95.477 -5.639 0.871 1.00 0.00 C ATOM 708 CG1 ILE A 422 96.953 -5.550 1.212 1.00 0.00 C ATOM 709 CG2 ILE A 422 94.716 -6.538 1.864 1.00 0.00 C ATOM 710 CD1 ILE A 422 97.234 -5.217 2.622 1.00 0.00 C ATOM 0 H ILE A 422 97.118 -6.916 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 422 94.300 -6.455 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 422 95.022 -4.654 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 422 97.426 -6.503 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 422 97.416 -4.797 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 422 94.876 -6.175 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 422 93.651 -6.514 1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 422 95.082 -7.561 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 422 98.312 -5.174 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 422 96.794 -4.249 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 422 96.804 -5.982 3.269 1.00 0.00 H new ATOM 722 N GLY A 423 96.780 -4.372 -1.620 1.00 0.00 N ATOM 723 CA GLY A 423 97.066 -3.144 -2.360 1.00 0.00 C ATOM 724 C GLY A 423 97.952 -3.347 -3.577 1.00 0.00 C ATOM 725 O GLY A 423 97.499 -3.131 -4.706 1.00 0.00 O ATOM 0 H GLY A 423 97.596 -4.817 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 423 96.125 -2.697 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 423 97.546 -2.431 -1.689 1.00 0.00 H new ATOM 729 N CYS A 424 99.213 -3.671 -3.342 1.00 0.00 N ATOM 730 CA CYS A 424 100.291 -3.939 -4.324 1.00 0.00 C ATOM 731 C CYS A 424 99.868 -4.459 -5.727 1.00 0.00 C ATOM 732 O CYS A 424 99.268 -5.508 -5.848 1.00 0.00 O ATOM 733 CB CYS A 424 101.257 -4.928 -3.639 1.00 0.00 C ATOM 734 SG CYS A 424 101.697 -4.475 -1.909 1.00 0.00 S ATOM 0 H CYS A 424 99.553 -3.765 -2.385 1.00 0.00 H new ATOM 0 HA CYS A 424 100.742 -2.978 -4.571 1.00 0.00 H new ATOM 0 HB2 CYS A 424 100.805 -5.920 -3.639 1.00 0.00 H new ATOM 0 HB3 CYS A 424 102.171 -4.994 -4.229 1.00 0.00 H new ATOM 739 N PRO A 425 100.179 -3.681 -6.809 1.00 0.00 N ATOM 740 CA PRO A 425 99.988 -4.103 -8.192 1.00 0.00 C ATOM 741 C PRO A 425 101.306 -4.619 -8.817 1.00 0.00 C ATOM 742 O PRO A 425 101.451 -4.631 -10.033 1.00 0.00 O ATOM 743 CB PRO A 425 99.566 -2.802 -8.885 1.00 0.00 C ATOM 744 CG PRO A 425 99.930 -1.689 -7.944 1.00 0.00 C ATOM 745 CD PRO A 425 100.628 -2.301 -6.779 1.00 0.00 C ATOM 0 HA PRO A 425 99.271 -4.918 -8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 425 100.077 -2.687 -9.841 1.00 0.00 H new ATOM 0 HB3 PRO A 425 98.496 -2.801 -9.094 1.00 0.00 H new ATOM 0 HG2 PRO A 425 100.574 -0.963 -8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 425 99.038 -1.154 -7.619 1.00 0.00 H new ATOM 0 HD2 PRO A 425 101.711 -2.228 -6.875 1.00 0.00 H new ATOM 0 HD3 PRO A 425 100.357 -1.810 -5.844 1.00 0.00 H new ATOM 753 N SER A 426 102.256 -4.956 -7.931 1.00 0.00 N ATOM 754 CA SER A 426 103.578 -5.574 -8.215 1.00 0.00 C ATOM 755 C SER A 426 104.739 -4.588 -8.112 1.00 0.00 C ATOM 756 O SER A 426 105.621 -4.546 -8.966 1.00 0.00 O ATOM 757 CB SER A 426 103.613 -6.420 -9.514 1.00 0.00 C ATOM 758 OG SER A 426 102.650 -7.479 -9.450 1.00 0.00 O ATOM 0 H SER A 426 102.122 -4.798 -6.932 1.00 0.00 H new ATOM 0 HA SER A 426 103.726 -6.292 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 426 103.406 -5.784 -10.375 1.00 0.00 H new ATOM 0 HB3 SER A 426 104.610 -6.836 -9.657 1.00 0.00 H new ATOM 0 HG SER A 426 102.684 -8.002 -10.278 1.00 0.00 H new ATOM 764 N CYS A 427 104.703 -3.746 -7.090 1.00 0.00 N ATOM 765 CA CYS A 427 105.822 -2.874 -6.781 1.00 0.00 C ATOM 766 C CYS A 427 106.573 -3.368 -5.495 1.00 0.00 C ATOM 767 O CYS A 427 106.351 -4.500 -5.061 1.00 0.00 O ATOM 768 CB CYS A 427 105.251 -1.491 -6.625 1.00 0.00 C ATOM 769 SG CYS A 427 103.690 -1.469 -5.695 1.00 0.00 S ATOM 0 H CYS A 427 103.907 -3.649 -6.460 1.00 0.00 H new ATOM 0 HA CYS A 427 106.571 -2.878 -7.573 1.00 0.00 H new ATOM 0 HB2 CYS A 427 105.979 -0.858 -6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 427 105.086 -1.058 -7.612 1.00 0.00 H new ATOM 774 N CYS A 428 107.474 -2.555 -4.929 1.00 0.00 N ATOM 775 CA CYS A 428 108.194 -2.913 -3.679 1.00 0.00 C ATOM 776 C CYS A 428 107.686 -2.089 -2.487 1.00 0.00 C ATOM 777 O CYS A 428 107.165 -1.011 -2.700 1.00 0.00 O ATOM 778 CB CYS A 428 109.702 -2.729 -3.872 1.00 0.00 C ATOM 779 SG CYS A 428 110.483 -4.044 -4.860 1.00 0.00 S ATOM 0 H CYS A 428 107.728 -1.643 -5.309 1.00 0.00 H new ATOM 0 HA CYS A 428 107.996 -3.961 -3.456 1.00 0.00 H new ATOM 0 HB2 CYS A 428 109.882 -1.769 -4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 428 110.182 -2.689 -2.894 1.00 0.00 H new ATOM 784 N PRO A 429 107.821 -2.583 -1.204 1.00 0.00 N ATOM 785 CA PRO A 429 107.291 -1.877 -0.028 1.00 0.00 C ATOM 786 C PRO A 429 108.139 -0.617 0.377 1.00 0.00 C ATOM 787 O PRO A 429 108.512 0.191 -0.482 1.00 0.00 O ATOM 788 CB PRO A 429 107.323 -2.975 1.058 1.00 0.00 C ATOM 789 CG PRO A 429 108.448 -3.844 0.696 1.00 0.00 C ATOM 790 CD PRO A 429 108.497 -3.855 -0.797 1.00 0.00 C ATOM 0 HA PRO A 429 106.300 -1.458 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 429 107.462 -2.544 2.049 1.00 0.00 H new ATOM 0 HB3 PRO A 429 106.387 -3.533 1.081 1.00 0.00 H new ATOM 0 HG2 PRO A 429 109.382 -3.468 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 429 108.305 -4.851 1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 429 109.524 -3.892 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 429 107.983 -4.726 -1.205 1.00 0.00 H new ATOM 798 N PHE A 430 108.509 -0.510 1.659 1.00 0.00 N ATOM 799 CA PHE A 430 109.133 0.700 2.193 1.00 0.00 C ATOM 800 C PHE A 430 109.705 0.462 3.597 1.00 0.00 C ATOM 801 O PHE A 430 109.736 -0.680 4.065 1.00 0.00 O ATOM 802 CB PHE A 430 108.134 1.862 2.212 1.00 0.00 C ATOM 803 CG PHE A 430 108.440 2.959 1.234 1.00 0.00 C ATOM 804 CD1 PHE A 430 109.548 3.745 1.421 1.00 0.00 C ATOM 805 CD2 PHE A 430 107.630 3.199 0.130 1.00 0.00 C ATOM 806 CE1 PHE A 430 109.859 4.755 0.541 1.00 0.00 C ATOM 807 CE2 PHE A 430 107.938 4.212 -0.760 1.00 0.00 C ATOM 808 CZ PHE A 430 109.055 4.991 -0.553 1.00 0.00 C ATOM 0 H PHE A 430 108.385 -1.253 2.347 1.00 0.00 H new ATOM 0 HA PHE A 430 109.960 0.963 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 430 107.138 1.472 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 430 108.106 2.285 3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 430 110.187 3.568 2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 430 106.753 2.590 -0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 430 110.735 5.364 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 430 107.304 4.392 -1.616 1.00 0.00 H new ATOM 0 HZ PHE A 430 109.300 5.783 -1.245 1.00 0.00 H new ATOM 818 N GLU A 431 110.178 1.550 4.251 1.00 0.00 N ATOM 819 CA GLU A 431 110.776 1.504 5.600 1.00 0.00 C ATOM 820 C GLU A 431 112.098 0.769 5.541 1.00 0.00 C ATOM 821 O GLU A 431 113.119 1.369 5.206 1.00 0.00 O ATOM 822 CB GLU A 431 109.823 0.879 6.651 1.00 0.00 C ATOM 823 CG GLU A 431 108.517 1.631 6.884 1.00 0.00 C ATOM 824 CD GLU A 431 108.721 3.015 7.441 1.00 0.00 C ATOM 825 OE1 GLU A 431 109.026 3.148 8.647 1.00 0.00 O ATOM 826 OE2 GLU A 431 108.573 4.004 6.693 1.00 0.00 O ATOM 0 H GLU A 431 110.153 2.488 3.852 1.00 0.00 H new ATOM 0 HA GLU A 431 110.951 2.529 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 431 109.585 -0.138 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 431 110.354 0.807 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 431 107.973 1.702 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 431 107.893 1.058 7.570 1.00 0.00 H new ATOM 833 N CYS A 432 112.057 -0.520 5.830 1.00 0.00 N ATOM 834 CA CYS A 432 113.180 -1.449 5.695 1.00 0.00 C ATOM 835 C CYS A 432 114.332 -1.208 6.689 1.00 0.00 C ATOM 836 O CYS A 432 114.591 -2.044 7.560 1.00 0.00 O ATOM 837 CB CYS A 432 113.688 -1.420 4.257 1.00 0.00 C ATOM 838 SG CYS A 432 114.718 -2.805 3.783 1.00 0.00 S ATOM 0 H CYS A 432 111.211 -0.971 6.179 1.00 0.00 H new ATOM 0 HA CYS A 432 112.797 -2.438 5.946 1.00 0.00 H new ATOM 0 HB2 CYS A 432 112.830 -1.380 3.586 1.00 0.00 H new ATOM 0 HB3 CYS A 432 114.253 -0.500 4.107 1.00 0.00 H new ATOM 843 N SER A 433 114.944 -0.059 6.601 1.00 0.00 N ATOM 844 CA SER A 433 116.161 0.236 7.321 1.00 0.00 C ATOM 845 C SER A 433 116.178 1.732 7.633 1.00 0.00 C ATOM 846 O SER A 433 115.365 2.474 7.056 1.00 0.00 O ATOM 847 CB SER A 433 117.383 -0.139 6.436 1.00 0.00 C ATOM 848 OG SER A 433 117.421 -1.545 6.130 1.00 0.00 O ATOM 0 H SER A 433 114.611 0.711 6.021 1.00 0.00 H new ATOM 0 HA SER A 433 116.210 -0.336 8.247 1.00 0.00 H new ATOM 0 HB2 SER A 433 117.347 0.432 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 433 118.302 0.144 6.949 1.00 0.00 H new ATOM 0 HG SER A 433 117.629 -1.668 5.180 1.00 0.00 H new ATOM 854 N PRO A 434 117.013 2.188 8.608 1.00 0.00 N ATOM 855 CA PRO A 434 117.207 3.615 8.898 1.00 0.00 C ATOM 856 C PRO A 434 117.421 4.434 7.654 1.00 0.00 C ATOM 857 O PRO A 434 118.400 4.220 6.929 1.00 0.00 O ATOM 858 CB PRO A 434 118.481 3.625 9.707 1.00 0.00 C ATOM 859 CG PRO A 434 118.413 2.368 10.493 1.00 0.00 C ATOM 860 CD PRO A 434 117.783 1.348 9.564 1.00 0.00 C ATOM 0 HA PRO A 434 116.337 4.043 9.395 1.00 0.00 H new ATOM 0 HB2 PRO A 434 119.362 3.648 9.065 1.00 0.00 H new ATOM 0 HB3 PRO A 434 118.536 4.499 10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 434 119.405 2.049 10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 434 117.816 2.500 11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 434 118.537 0.747 9.055 1.00 0.00 H new ATOM 0 HD3 PRO A 434 117.136 0.657 10.104 1.00 0.00 H new ATOM 868 N ASP A 435 116.504 5.354 7.418 1.00 0.00 N ATOM 869 CA ASP A 435 116.553 6.251 6.250 1.00 0.00 C ATOM 870 C ASP A 435 116.451 5.504 4.951 1.00 0.00 C ATOM 871 O ASP A 435 117.443 5.068 4.360 1.00 0.00 O ATOM 872 CB ASP A 435 117.743 7.217 6.310 1.00 0.00 C ATOM 873 CG ASP A 435 117.438 8.396 7.196 1.00 0.00 C ATOM 874 OD1 ASP A 435 116.833 9.379 6.704 1.00 0.00 O ATOM 875 OD2 ASP A 435 117.746 8.360 8.411 1.00 0.00 O ATOM 0 H ASP A 435 115.699 5.510 8.024 1.00 0.00 H new ATOM 0 HA ASP A 435 115.663 6.879 6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 435 118.622 6.693 6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 435 117.984 7.565 5.306 1.00 0.00 H new ATOM 880 N ASN A 436 115.218 5.375 4.517 1.00 0.00 N ATOM 881 CA ASN A 436 114.833 4.597 3.341 1.00 0.00 C ATOM 882 C ASN A 436 115.250 5.146 1.924 1.00 0.00 C ATOM 883 O ASN A 436 115.243 4.351 0.985 1.00 0.00 O ATOM 884 CB ASN A 436 113.315 4.258 3.377 1.00 0.00 C ATOM 885 CG ASN A 436 112.367 5.466 3.275 1.00 0.00 C ATOM 886 OD1 ASN A 436 112.633 6.447 2.600 1.00 0.00 O ATOM 887 ND2 ASN A 436 111.280 5.409 3.987 1.00 0.00 N ATOM 0 H ASN A 436 114.425 5.818 4.980 1.00 0.00 H new ATOM 0 HA ASN A 436 115.441 3.697 3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 436 113.093 3.573 2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 436 113.100 3.726 4.304 1.00 0.00 H new ATOM 0 HD21 ASN A 436 110.630 6.195 3.989 1.00 0.00 H new ATOM 0 HD22 ASN A 436 111.078 4.579 4.544 1.00 0.00 H new ATOM 894 N PRO A 437 115.562 6.487 1.690 1.00 0.00 N ATOM 895 CA PRO A 437 115.939 6.967 0.343 1.00 0.00 C ATOM 896 C PRO A 437 117.109 6.206 -0.304 1.00 0.00 C ATOM 897 O PRO A 437 118.168 5.971 0.316 1.00 0.00 O ATOM 898 CB PRO A 437 116.304 8.433 0.569 1.00 0.00 C ATOM 899 CG PRO A 437 115.467 8.816 1.723 1.00 0.00 C ATOM 900 CD PRO A 437 115.508 7.630 2.637 1.00 0.00 C ATOM 0 HA PRO A 437 115.120 6.812 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 437 117.366 8.555 0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 437 116.084 9.042 -0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 437 115.856 9.708 2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 437 114.446 9.042 1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 437 116.379 7.654 3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 437 114.628 7.583 3.278 1.00 0.00 H new ATOM 908 N MET A 438 116.906 5.860 -1.548 1.00 0.00 N ATOM 909 CA MET A 438 117.867 5.160 -2.362 1.00 0.00 C ATOM 910 C MET A 438 117.569 5.533 -3.794 1.00 0.00 C ATOM 911 O MET A 438 116.405 5.569 -4.193 1.00 0.00 O ATOM 912 CB MET A 438 117.747 3.637 -2.166 1.00 0.00 C ATOM 913 CG MET A 438 118.761 2.815 -2.962 1.00 0.00 C ATOM 914 SD MET A 438 118.575 1.027 -2.726 1.00 0.00 S ATOM 915 CE MET A 438 118.900 0.871 -0.962 1.00 0.00 C ATOM 0 H MET A 438 116.037 6.065 -2.040 1.00 0.00 H new ATOM 0 HA MET A 438 118.884 5.436 -2.085 1.00 0.00 H new ATOM 0 HB2 MET A 438 117.865 3.409 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 438 116.742 3.325 -2.450 1.00 0.00 H new ATOM 0 HG2 MET A 438 118.656 3.048 -4.022 1.00 0.00 H new ATOM 0 HG3 MET A 438 119.768 3.111 -2.669 1.00 0.00 H new ATOM 0 HE1 MET A 438 119.120 -0.169 -0.723 1.00 0.00 H new ATOM 0 HE2 MET A 438 119.753 1.494 -0.693 1.00 0.00 H new ATOM 0 HE3 MET A 438 118.023 1.194 -0.401 1.00 0.00 H new ATOM 925 N PHE A 439 118.587 5.823 -4.556 1.00 0.00 N ATOM 926 CA PHE A 439 118.408 6.332 -5.898 1.00 0.00 C ATOM 927 C PHE A 439 119.564 5.911 -6.783 1.00 0.00 C ATOM 928 O PHE A 439 120.514 5.298 -6.291 1.00 0.00 O ATOM 929 CB PHE A 439 118.272 7.876 -5.855 1.00 0.00 C ATOM 930 CG PHE A 439 119.406 8.593 -5.145 1.00 0.00 C ATOM 931 CD1 PHE A 439 119.368 8.802 -3.770 1.00 0.00 C ATOM 932 CD2 PHE A 439 120.497 9.056 -5.849 1.00 0.00 C ATOM 933 CE1 PHE A 439 120.400 9.452 -3.126 1.00 0.00 C ATOM 934 CE2 PHE A 439 121.528 9.705 -5.214 1.00 0.00 C ATOM 935 CZ PHE A 439 121.482 9.904 -3.852 1.00 0.00 C ATOM 0 H PHE A 439 119.561 5.716 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 439 117.495 5.914 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 439 118.207 8.250 -6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 439 117.334 8.131 -5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 439 118.520 8.451 -3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 439 120.542 8.906 -6.918 1.00 0.00 H new ATOM 0 HE1 PHE A 439 120.361 9.606 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 439 122.375 10.059 -5.783 1.00 0.00 H new ATOM 0 HZ PHE A 439 122.293 10.414 -3.353 1.00 0.00 H new ATOM 945 N THR A 440 119.487 6.275 -8.068 1.00 0.00 N ATOM 946 CA THR A 440 120.493 5.971 -9.105 1.00 0.00 C ATOM 947 C THR A 440 120.760 4.468 -9.302 1.00 0.00 C ATOM 948 O THR A 440 121.443 3.839 -8.497 1.00 0.00 O ATOM 949 CB THR A 440 121.834 6.773 -8.941 1.00 0.00 C ATOM 950 OG1 THR A 440 122.330 6.706 -7.592 1.00 0.00 O ATOM 951 CG2 THR A 440 121.655 8.225 -9.363 1.00 0.00 C ATOM 0 H THR A 440 118.697 6.808 -8.432 1.00 0.00 H new ATOM 0 HA THR A 440 120.025 6.323 -10.024 1.00 0.00 H new ATOM 0 HB THR A 440 122.571 6.307 -9.595 1.00 0.00 H new ATOM 0 HG1 THR A 440 121.940 5.930 -7.138 1.00 0.00 H new ATOM 0 HG21 THR A 440 122.598 8.758 -9.240 1.00 0.00 H new ATOM 0 HG22 THR A 440 121.349 8.265 -10.408 1.00 0.00 H new ATOM 0 HG23 THR A 440 120.890 8.692 -8.743 1.00 0.00 H new ATOM 959 N PRO A 441 120.208 3.870 -10.378 1.00 0.00 N ATOM 960 CA PRO A 441 120.422 2.476 -10.684 1.00 0.00 C ATOM 961 C PRO A 441 121.704 2.302 -11.515 1.00 0.00 C ATOM 962 O PRO A 441 122.606 3.131 -11.414 1.00 0.00 O ATOM 963 CB PRO A 441 119.158 2.114 -11.481 1.00 0.00 C ATOM 964 CG PRO A 441 118.785 3.373 -12.193 1.00 0.00 C ATOM 965 CD PRO A 441 119.361 4.523 -11.395 1.00 0.00 C ATOM 0 HA PRO A 441 120.563 1.839 -9.811 1.00 0.00 H new ATOM 0 HB2 PRO A 441 119.352 1.304 -12.184 1.00 0.00 H new ATOM 0 HB3 PRO A 441 118.357 1.779 -10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 441 119.181 3.373 -13.209 1.00 0.00 H new ATOM 0 HG3 PRO A 441 117.702 3.464 -12.273 1.00 0.00 H new ATOM 0 HD2 PRO A 441 119.943 5.194 -12.027 1.00 0.00 H new ATOM 0 HD3 PRO A 441 118.575 5.121 -10.934 1.00 0.00 H new ATOM 973 N SER A 442 121.738 1.249 -12.349 1.00 0.00 N ATOM 974 CA SER A 442 122.884 0.826 -13.156 1.00 0.00 C ATOM 975 C SER A 442 123.822 -0.032 -12.308 1.00 0.00 C ATOM 976 O SER A 442 124.062 0.282 -11.137 1.00 0.00 O ATOM 977 CB SER A 442 123.655 1.999 -13.795 1.00 0.00 C ATOM 978 OG SER A 442 122.762 2.887 -14.472 1.00 0.00 O ATOM 0 H SER A 442 120.927 0.645 -12.482 1.00 0.00 H new ATOM 0 HA SER A 442 122.487 0.241 -13.986 1.00 0.00 H new ATOM 0 HB2 SER A 442 124.201 2.543 -13.025 1.00 0.00 H new ATOM 0 HB3 SER A 442 124.394 1.614 -14.498 1.00 0.00 H new ATOM 0 HG SER A 442 123.272 3.624 -14.868 1.00 0.00 H new ATOM 984 N PRO A 443 124.373 -1.130 -12.868 1.00 0.00 N ATOM 985 CA PRO A 443 125.313 -2.015 -12.141 1.00 0.00 C ATOM 986 C PRO A 443 126.582 -1.270 -11.715 1.00 0.00 C ATOM 987 O PRO A 443 127.305 -1.693 -10.805 1.00 0.00 O ATOM 988 CB PRO A 443 125.657 -3.079 -13.183 1.00 0.00 C ATOM 989 CG PRO A 443 124.492 -3.077 -14.103 1.00 0.00 C ATOM 990 CD PRO A 443 124.108 -1.642 -14.232 1.00 0.00 C ATOM 0 HA PRO A 443 124.883 -2.413 -11.222 1.00 0.00 H new ATOM 0 HB2 PRO A 443 126.581 -2.837 -13.709 1.00 0.00 H new ATOM 0 HB3 PRO A 443 125.799 -4.057 -12.722 1.00 0.00 H new ATOM 0 HG2 PRO A 443 124.752 -3.505 -15.071 1.00 0.00 H new ATOM 0 HG3 PRO A 443 123.671 -3.671 -13.702 1.00 0.00 H new ATOM 0 HD2 PRO A 443 124.704 -1.126 -14.985 1.00 0.00 H new ATOM 0 HD3 PRO A 443 123.063 -1.523 -14.517 1.00 0.00 H new ATOM 998 N ASP A 444 126.813 -0.149 -12.365 1.00 0.00 N ATOM 999 CA ASP A 444 127.965 0.707 -12.069 1.00 0.00 C ATOM 1000 C ASP A 444 127.502 2.118 -11.805 1.00 0.00 C ATOM 1001 O ASP A 444 128.280 3.068 -11.901 1.00 0.00 O ATOM 1002 CB ASP A 444 129.065 0.687 -13.181 1.00 0.00 C ATOM 1003 CG ASP A 444 129.761 -0.643 -13.326 1.00 0.00 C ATOM 1004 OD1 ASP A 444 130.752 -0.892 -12.624 1.00 0.00 O ATOM 1005 OD2 ASP A 444 129.348 -1.464 -14.171 1.00 0.00 O ATOM 0 H ASP A 444 126.215 0.202 -13.113 1.00 0.00 H new ATOM 0 HA ASP A 444 128.437 0.297 -11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 444 128.609 0.954 -14.135 1.00 0.00 H new ATOM 0 HB3 ASP A 444 129.808 1.453 -12.958 1.00 0.00 H new ATOM 1010 N GLY A 445 126.234 2.231 -11.415 1.00 0.00 N ATOM 1011 CA GLY A 445 125.582 3.525 -11.157 1.00 0.00 C ATOM 1012 C GLY A 445 126.312 4.442 -10.190 1.00 0.00 C ATOM 1013 O GLY A 445 126.245 5.671 -10.321 1.00 0.00 O ATOM 0 H GLY A 445 125.623 1.428 -11.267 1.00 0.00 H new ATOM 0 HA2 GLY A 445 125.462 4.048 -12.106 1.00 0.00 H new ATOM 0 HA3 GLY A 445 124.581 3.337 -10.768 1.00 0.00 H new ATOM 1017 N SER A 446 126.968 3.872 -9.221 1.00 0.00 N ATOM 1018 CA SER A 446 127.725 4.625 -8.246 1.00 0.00 C ATOM 1019 C SER A 446 128.910 3.841 -7.792 1.00 0.00 C ATOM 1020 O SER A 446 129.022 2.669 -8.147 1.00 0.00 O ATOM 1021 CB SER A 446 126.840 4.867 -7.002 1.00 0.00 C ATOM 1022 OG SER A 446 125.918 5.916 -7.227 1.00 0.00 O ATOM 0 H SER A 446 126.997 2.862 -9.078 1.00 0.00 H new ATOM 0 HA SER A 446 128.043 5.562 -8.704 1.00 0.00 H new ATOM 0 HB2 SER A 446 126.301 3.953 -6.752 1.00 0.00 H new ATOM 0 HB3 SER A 446 127.470 5.110 -6.146 1.00 0.00 H new ATOM 0 HG SER A 446 125.928 6.163 -8.175 1.00 0.00 H new ATOM 1028 N PRO A 447 129.882 4.507 -7.098 1.00 0.00 N ATOM 1029 CA PRO A 447 130.935 3.813 -6.388 1.00 0.00 C ATOM 1030 C PRO A 447 130.267 2.860 -5.391 1.00 0.00 C ATOM 1031 O PRO A 447 129.591 3.301 -4.440 1.00 0.00 O ATOM 1032 CB PRO A 447 131.698 4.934 -5.642 1.00 0.00 C ATOM 1033 CG PRO A 447 130.840 6.148 -5.761 1.00 0.00 C ATOM 1034 CD PRO A 447 130.046 5.970 -7.015 1.00 0.00 C ATOM 0 HA PRO A 447 131.602 3.234 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 447 131.861 4.670 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 447 132.680 5.102 -6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 447 130.185 6.249 -4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 447 131.447 7.052 -5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 447 129.085 6.482 -6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 447 130.570 6.368 -7.884 1.00 0.00 H new ATOM 1042 N PRO A 448 130.354 1.555 -5.652 1.00 0.00 N ATOM 1043 CA PRO A 448 129.664 0.541 -4.863 1.00 0.00 C ATOM 1044 C PRO A 448 130.091 0.498 -3.392 1.00 0.00 C ATOM 1045 O PRO A 448 129.319 0.079 -2.545 1.00 0.00 O ATOM 1046 CB PRO A 448 130.063 -0.778 -5.543 1.00 0.00 C ATOM 1047 CG PRO A 448 130.435 -0.390 -6.922 1.00 0.00 C ATOM 1048 CD PRO A 448 131.081 0.953 -6.787 1.00 0.00 C ATOM 0 HA PRO A 448 128.593 0.743 -4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 448 130.897 -1.254 -5.027 1.00 0.00 H new ATOM 0 HB3 PRO A 448 129.238 -1.491 -5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 448 131.119 -1.114 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 448 129.559 -0.343 -7.569 1.00 0.00 H new ATOM 0 HD2 PRO A 448 132.149 0.869 -6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 448 130.974 1.546 -7.695 1.00 0.00 H new ATOM 1056 N ASN A 449 131.337 0.903 -3.130 1.00 0.00 N ATOM 1057 CA ASN A 449 131.989 0.877 -1.798 1.00 0.00 C ATOM 1058 C ASN A 449 132.086 -0.538 -1.215 1.00 0.00 C ATOM 1059 O ASN A 449 131.678 -1.510 -1.860 1.00 0.00 O ATOM 1060 CB ASN A 449 131.453 1.959 -0.762 1.00 0.00 C ATOM 1061 CG ASN A 449 130.039 1.772 -0.125 1.00 0.00 C ATOM 1062 OD1 ASN A 449 129.343 2.758 0.130 1.00 0.00 O ATOM 1063 ND2 ASN A 449 129.652 0.570 0.224 1.00 0.00 N ATOM 0 H ASN A 449 131.949 1.272 -3.858 1.00 0.00 H new ATOM 0 HA ASN A 449 133.012 1.200 -1.989 1.00 0.00 H new ATOM 0 HB2 ASN A 449 132.174 2.018 0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 449 131.461 2.926 -1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 449 128.766 0.441 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 449 130.237 -0.237 0.007 1.00 0.00 H new ATOM 1070 N CYS A 450 132.678 -0.657 -0.026 1.00 0.00 N ATOM 1071 CA CYS A 450 132.862 -1.957 0.650 1.00 0.00 C ATOM 1072 C CYS A 450 133.801 -2.867 -0.127 1.00 0.00 C ATOM 1073 O CYS A 450 133.552 -4.066 -0.254 1.00 0.00 O ATOM 1074 CB CYS A 450 131.533 -2.651 0.896 1.00 0.00 C ATOM 1075 SG CYS A 450 130.499 -1.869 2.163 1.00 0.00 S ATOM 0 H CYS A 450 133.044 0.137 0.500 1.00 0.00 H new ATOM 0 HA CYS A 450 133.320 -1.748 1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 450 130.976 -2.683 -0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 450 131.725 -3.683 1.188 1.00 0.00 H new ATOM 1080 N SER A 451 134.905 -2.260 -0.579 1.00 0.00 N ATOM 1081 CA SER A 451 135.987 -2.849 -1.367 1.00 0.00 C ATOM 1082 C SER A 451 135.968 -2.441 -2.853 1.00 0.00 C ATOM 1083 O SER A 451 136.938 -1.849 -3.312 1.00 0.00 O ATOM 1084 CB SER A 451 136.233 -4.337 -1.128 1.00 0.00 C ATOM 1085 OG SER A 451 136.384 -4.611 0.269 1.00 0.00 O ATOM 0 H SER A 451 135.075 -1.273 -0.388 1.00 0.00 H new ATOM 0 HA SER A 451 136.884 -2.383 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 451 135.401 -4.916 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 451 137.128 -4.652 -1.664 1.00 0.00 H new ATOM 0 HG SER A 451 137.001 -3.960 0.665 1.00 0.00 H new ATOM 1091 N PRO A 452 134.904 -2.696 -3.656 1.00 0.00 N ATOM 1092 CA PRO A 452 134.873 -2.199 -5.020 1.00 0.00 C ATOM 1093 C PRO A 452 134.605 -0.690 -5.047 1.00 0.00 C ATOM 1094 O PRO A 452 133.472 -0.264 -5.157 1.00 0.00 O ATOM 1095 CB PRO A 452 133.735 -2.978 -5.703 1.00 0.00 C ATOM 1096 CG PRO A 452 133.393 -4.068 -4.740 1.00 0.00 C ATOM 1097 CD PRO A 452 133.717 -3.521 -3.382 1.00 0.00 C ATOM 0 HA PRO A 452 135.825 -2.344 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 452 132.876 -2.336 -5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 452 134.053 -3.383 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 452 132.340 -4.339 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 452 133.969 -4.970 -4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 452 132.896 -2.931 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 452 133.928 -4.313 -2.664 1.00 0.00 H new ATOM 1105 N THR A 453 135.681 0.054 -4.836 1.00 0.00 N ATOM 1106 CA THR A 453 135.811 1.537 -4.787 1.00 0.00 C ATOM 1107 C THR A 453 137.151 1.826 -4.107 1.00 0.00 C ATOM 1108 O THR A 453 137.790 2.860 -4.342 1.00 0.00 O ATOM 1109 CB THR A 453 134.643 2.309 -4.021 1.00 0.00 C ATOM 1110 OG1 THR A 453 133.406 2.194 -4.719 1.00 0.00 O ATOM 1111 CG2 THR A 453 134.943 3.794 -3.856 1.00 0.00 C ATOM 0 H THR A 453 136.584 -0.392 -4.677 1.00 0.00 H new ATOM 0 HA THR A 453 135.746 1.908 -5.810 1.00 0.00 H new ATOM 0 HB THR A 453 134.574 1.842 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 453 133.300 1.277 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 453 134.119 4.275 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 453 135.862 3.918 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 453 135.063 4.252 -4.838 1.00 0.00 H new ATOM 1119 N MET A 454 137.580 0.866 -3.275 1.00 0.00 N ATOM 1120 CA MET A 454 138.879 0.930 -2.604 1.00 0.00 C ATOM 1121 C MET A 454 139.997 1.099 -3.622 1.00 0.00 C ATOM 1122 O MET A 454 140.887 1.938 -3.459 1.00 0.00 O ATOM 1123 CB MET A 454 139.112 -0.317 -1.786 1.00 0.00 C ATOM 1124 CG MET A 454 138.304 -0.369 -0.503 1.00 0.00 C ATOM 1125 SD MET A 454 138.584 -1.873 0.459 1.00 0.00 S ATOM 1126 CE MET A 454 140.333 -1.732 0.808 1.00 0.00 C ATOM 0 H MET A 454 137.038 0.031 -3.052 1.00 0.00 H new ATOM 0 HA MET A 454 138.877 1.793 -1.938 1.00 0.00 H new ATOM 0 HB2 MET A 454 138.868 -1.189 -2.393 1.00 0.00 H new ATOM 0 HB3 MET A 454 140.172 -0.386 -1.540 1.00 0.00 H new ATOM 0 HG2 MET A 454 138.553 0.497 0.110 1.00 0.00 H new ATOM 0 HG3 MET A 454 137.244 -0.294 -0.746 1.00 0.00 H new ATOM 0 HE1 MET A 454 140.592 -2.388 1.639 1.00 0.00 H new ATOM 0 HE2 MET A 454 140.904 -2.021 -0.074 1.00 0.00 H new ATOM 0 HE3 MET A 454 140.569 -0.701 1.072 1.00 0.00 H new ATOM 1136 N LEU A 455 139.920 0.312 -4.681 1.00 0.00 N ATOM 1137 CA LEU A 455 140.873 0.355 -5.752 1.00 0.00 C ATOM 1138 C LEU A 455 140.476 1.476 -6.701 1.00 0.00 C ATOM 1139 O LEU A 455 139.284 1.795 -6.818 1.00 0.00 O ATOM 1140 CB LEU A 455 140.924 -0.994 -6.527 1.00 0.00 C ATOM 1141 CG LEU A 455 139.733 -1.350 -7.459 1.00 0.00 C ATOM 1142 CD1 LEU A 455 140.036 -2.619 -8.226 1.00 0.00 C ATOM 1143 CD2 LEU A 455 138.422 -1.504 -6.696 1.00 0.00 C ATOM 0 H LEU A 455 139.182 -0.379 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 455 141.865 0.533 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 455 141.832 -0.997 -7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 455 141.025 -1.795 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 455 139.608 -0.519 -8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 455 139.195 -2.860 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 455 140.932 -2.474 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 455 140.199 -3.438 -7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 455 137.622 -1.753 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 455 138.521 -2.301 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 455 138.184 -0.569 -6.189 1.00 0.00 H new ATOM 1155 N PRO A 456 141.433 2.109 -7.361 1.00 0.00 N ATOM 1156 CA PRO A 456 141.135 3.171 -8.294 1.00 0.00 C ATOM 1157 C PRO A 456 140.435 2.663 -9.565 1.00 0.00 C ATOM 1158 O PRO A 456 140.901 1.716 -10.211 1.00 0.00 O ATOM 1159 CB PRO A 456 142.505 3.723 -8.668 1.00 0.00 C ATOM 1160 CG PRO A 456 143.449 3.185 -7.656 1.00 0.00 C ATOM 1161 CD PRO A 456 142.883 1.881 -7.228 1.00 0.00 C ATOM 0 HA PRO A 456 140.459 3.902 -7.851 1.00 0.00 H new ATOM 0 HB2 PRO A 456 142.791 3.412 -9.673 1.00 0.00 H new ATOM 0 HB3 PRO A 456 142.503 4.813 -8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 456 144.446 3.059 -8.079 1.00 0.00 H new ATOM 0 HG3 PRO A 456 143.546 3.866 -6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 456 143.226 1.062 -7.860 1.00 0.00 H new ATOM 0 HD3 PRO A 456 143.163 1.632 -6.204 1.00 0.00 H new ATOM 1169 N SER A 457 139.316 3.265 -9.885 1.00 0.00 N ATOM 1170 CA SER A 457 138.573 3.047 -11.113 1.00 0.00 C ATOM 1171 C SER A 457 137.695 4.284 -11.307 1.00 0.00 C ATOM 1172 O SER A 457 136.477 4.218 -11.179 1.00 0.00 O ATOM 1173 CB SER A 457 137.698 1.776 -11.039 1.00 0.00 C ATOM 1174 OG SER A 457 138.482 0.619 -10.760 1.00 0.00 O ATOM 0 H SER A 457 138.875 3.951 -9.273 1.00 0.00 H new ATOM 0 HA SER A 457 139.258 2.899 -11.948 1.00 0.00 H new ATOM 0 HB2 SER A 457 136.940 1.899 -10.265 1.00 0.00 H new ATOM 0 HB3 SER A 457 137.170 1.641 -11.983 1.00 0.00 H new ATOM 0 HG SER A 457 139.425 0.873 -10.685 1.00 0.00 H new ATOM 1180 N PRO A 458 138.320 5.458 -11.552 1.00 0.00 N ATOM 1181 CA PRO A 458 137.603 6.716 -11.592 1.00 0.00 C ATOM 1182 C PRO A 458 136.654 6.807 -12.774 1.00 0.00 C ATOM 1183 O PRO A 458 135.425 6.913 -12.609 1.00 0.00 O ATOM 1184 CB PRO A 458 138.712 7.784 -11.695 1.00 0.00 C ATOM 1185 CG PRO A 458 139.991 7.061 -11.442 1.00 0.00 C ATOM 1186 CD PRO A 458 139.754 5.641 -11.837 1.00 0.00 C ATOM 0 HA PRO A 458 136.970 6.841 -10.713 1.00 0.00 H new ATOM 0 HB2 PRO A 458 138.715 8.252 -12.679 1.00 0.00 H new ATOM 0 HB3 PRO A 458 138.560 8.578 -10.964 1.00 0.00 H new ATOM 0 HG2 PRO A 458 140.805 7.496 -12.023 1.00 0.00 H new ATOM 0 HG3 PRO A 458 140.276 7.130 -10.392 1.00 0.00 H new ATOM 0 HD2 PRO A 458 139.982 5.470 -12.889 1.00 0.00 H new ATOM 0 HD3 PRO A 458 140.372 4.952 -11.261 1.00 0.00 H new ATOM 1194 N SER A 459 137.198 6.725 -13.939 1.00 0.00 N ATOM 1195 CA SER A 459 136.445 6.853 -15.118 1.00 0.00 C ATOM 1196 C SER A 459 137.024 5.879 -16.129 1.00 0.00 C ATOM 1197 O SER A 459 137.851 6.286 -16.978 1.00 0.00 O ATOM 1198 CB SER A 459 136.527 8.321 -15.589 1.00 0.00 C ATOM 1199 OG SER A 459 135.672 8.589 -16.679 1.00 0.00 O ATOM 0 H SER A 459 138.194 6.565 -14.091 1.00 0.00 H new ATOM 0 HA SER A 459 135.391 6.616 -14.975 1.00 0.00 H new ATOM 0 HB2 SER A 459 136.270 8.980 -14.760 1.00 0.00 H new ATOM 0 HB3 SER A 459 137.554 8.551 -15.872 1.00 0.00 H new ATOM 0 HG SER A 459 135.759 9.530 -16.939 1.00 0.00 H new TER 1205 SER A 459