USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 733 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 478 GLN : amide:sc= 0 X(o=-0.039,f=-0.052) USER MOD Set 1.2: A 480 LYS NZ :NH3+ 171:sc= -0.039 (180deg=-0.147) USER MOD Single : A 453 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -0:sc= 0.557 USER MOD Single : A 466 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00245) USER MOD Single : A 468 MET CE :methyl -128:sc= -4.2! (180deg=-12.1!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 THR OG1 : rot -130:sc=0.000951 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -57:sc= 1.15 USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= -0.0488 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= 0.011 K(o=0.011,f=-1.4) USER MOD Single : A 489 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 491 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 495 GLN : amide:sc= -0.0571 X(o=-0.057,f=-0.073) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN :FLIP amide:sc= -3.43! C(o=-4.9!,f=-3.4!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 164:sc= -0.0208 (180deg=-0.298) USER MOD Single : A 508 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 510 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0715) USER MOD Single : A 511 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS : no HE2:sc= -4.89! C(o=-4.9!,f=-4.7!) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 942 SER OG : rot 180:sc= 0 USER MOD Single : B 943 SER OG : rot 46:sc= 1.24 USER MOD Single : B 944 SER OG : rot 180:sc= 0 USER MOD Single : B 949 MET CE :methyl 165:sc= -1.41 (180deg=-2.03!) USER MOD Single : B 951 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 958 ASN : amide:sc= -5.46 K(o=-5.5,f=-12!) USER MOD Single : B 961 MET CE :methyl -108:sc= -2.9 (180deg=-5.75!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 451 -18.721 9.586 -2.135 1.00 0.00 N ATOM 2 CA ASP A 451 -17.587 9.709 -1.180 1.00 0.00 C ATOM 3 C ASP A 451 -16.614 8.544 -1.327 1.00 0.00 C ATOM 4 O ASP A 451 -16.985 7.467 -1.791 1.00 0.00 O ATOM 5 CB ASP A 451 -18.151 9.753 0.241 1.00 0.00 C ATOM 6 CG ASP A 451 -18.951 8.512 0.588 1.00 0.00 C ATOM 7 OD1 ASP A 451 -18.878 7.525 -0.174 1.00 0.00 O ATOM 8 OD2 ASP A 451 -19.651 8.528 1.623 1.00 0.00 O ATOM 0 HA ASP A 451 -17.035 10.624 -1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -17.331 9.863 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -18.786 10.632 0.349 1.00 0.00 H new ATOM 13 N VAL A 452 -15.366 8.770 -0.927 1.00 0.00 N ATOM 14 CA VAL A 452 -14.339 7.739 -1.014 1.00 0.00 C ATOM 15 C VAL A 452 -13.990 7.192 0.367 1.00 0.00 C ATOM 16 O VAL A 452 -13.751 7.952 1.305 1.00 0.00 O ATOM 17 CB VAL A 452 -13.060 8.280 -1.683 1.00 0.00 C ATOM 18 CG1 VAL A 452 -12.442 9.393 -0.847 1.00 0.00 C ATOM 19 CG2 VAL A 452 -12.060 7.156 -1.911 1.00 0.00 C ATOM 0 H VAL A 452 -15.043 9.657 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 452 -14.746 6.934 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 452 -13.331 8.698 -2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -11.541 9.760 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -13.156 10.210 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -12.186 9.007 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -11.164 7.557 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -11.795 6.705 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -12.504 6.399 -2.558 1.00 0.00 H new ATOM 29 N GLN A 453 -13.964 5.868 0.484 1.00 0.00 N ATOM 30 CA GLN A 453 -13.645 5.217 1.749 1.00 0.00 C ATOM 31 C GLN A 453 -12.587 4.137 1.554 1.00 0.00 C ATOM 32 O GLN A 453 -12.750 3.236 0.730 1.00 0.00 O ATOM 33 CB GLN A 453 -14.905 4.609 2.366 1.00 0.00 C ATOM 34 CG GLN A 453 -14.683 4.021 3.750 1.00 0.00 C ATOM 35 CD GLN A 453 -15.899 3.281 4.272 1.00 0.00 C ATOM 36 OE1 GLN A 453 -16.330 2.285 3.692 1.00 0.00 O ATOM 37 NE2 GLN A 453 -16.461 3.768 5.373 1.00 0.00 N ATOM 0 H GLN A 453 -14.160 5.225 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 453 -13.246 5.972 2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -15.677 5.377 2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -15.283 3.829 1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -13.833 3.339 3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -14.424 4.821 4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -16.070 4.597 5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -17.283 3.313 5.770 1.00 0.00 H new ATOM 46 N VAL A 454 -11.502 4.232 2.316 1.00 0.00 N ATOM 47 CA VAL A 454 -10.420 3.266 2.228 1.00 0.00 C ATOM 48 C VAL A 454 -10.848 1.906 2.771 1.00 0.00 C ATOM 49 O VAL A 454 -11.360 1.804 3.885 1.00 0.00 O ATOM 50 CB VAL A 454 -9.185 3.751 3.007 1.00 0.00 C ATOM 51 CG1 VAL A 454 -8.482 4.871 2.255 1.00 0.00 C ATOM 52 CG2 VAL A 454 -9.577 4.201 4.407 1.00 0.00 C ATOM 0 H VAL A 454 -11.351 4.971 3.002 1.00 0.00 H new ATOM 0 HA VAL A 454 -10.166 3.165 1.173 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.489 2.917 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.611 5.200 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.162 4.509 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -9.168 5.708 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.690 4.540 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -10.295 5.019 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -10.028 3.367 4.944 1.00 0.00 H new ATOM 62 N THR A 455 -10.634 0.864 1.975 1.00 0.00 N ATOM 63 CA THR A 455 -10.997 -0.490 2.375 1.00 0.00 C ATOM 64 C THR A 455 -9.958 -1.498 1.891 1.00 0.00 C ATOM 65 O THR A 455 -9.271 -1.266 0.897 1.00 0.00 O ATOM 66 CB THR A 455 -12.379 -0.853 1.826 1.00 0.00 C ATOM 67 OG1 THR A 455 -12.827 -2.083 2.367 1.00 0.00 O ATOM 68 CG2 THR A 455 -12.414 -0.975 0.317 1.00 0.00 C ATOM 0 H THR A 455 -10.211 0.931 1.049 1.00 0.00 H new ATOM 0 HA THR A 455 -11.028 -0.526 3.464 1.00 0.00 H new ATOM 0 HB THR A 455 -13.030 -0.030 2.122 1.00 0.00 H new ATOM 0 HG1 THR A 455 -13.712 -2.296 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 455 -13.423 -1.234 -0.004 1.00 0.00 H new ATOM 0 HG22 THR A 455 -12.123 -0.025 -0.132 1.00 0.00 H new ATOM 0 HG23 THR A 455 -11.721 -1.754 -0.001 1.00 0.00 H new ATOM 76 N GLU A 456 -9.848 -2.616 2.601 1.00 0.00 N ATOM 77 CA GLU A 456 -8.893 -3.658 2.244 1.00 0.00 C ATOM 78 C GLU A 456 -9.170 -4.194 0.843 1.00 0.00 C ATOM 79 O GLU A 456 -8.246 -4.478 0.082 1.00 0.00 O ATOM 80 CB GLU A 456 -8.948 -4.800 3.260 1.00 0.00 C ATOM 81 CG GLU A 456 -7.889 -5.867 3.036 1.00 0.00 C ATOM 82 CD GLU A 456 -8.026 -7.038 3.990 1.00 0.00 C ATOM 83 OE1 GLU A 456 -8.967 -7.031 4.811 1.00 0.00 O ATOM 84 OE2 GLU A 456 -7.190 -7.964 3.916 1.00 0.00 O ATOM 0 H GLU A 456 -10.409 -2.823 3.427 1.00 0.00 H new ATOM 0 HA GLU A 456 -7.895 -3.220 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -8.831 -4.389 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -9.933 -5.264 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -7.956 -6.230 2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -6.901 -5.422 3.153 1.00 0.00 H new ATOM 91 N ASP A 457 -10.450 -4.330 0.510 1.00 0.00 N ATOM 92 CA ASP A 457 -10.850 -4.832 -0.800 1.00 0.00 C ATOM 93 C ASP A 457 -10.325 -3.930 -1.912 1.00 0.00 C ATOM 94 O ASP A 457 -9.955 -4.404 -2.986 1.00 0.00 O ATOM 95 CB ASP A 457 -12.375 -4.933 -0.886 1.00 0.00 C ATOM 96 CG ASP A 457 -12.939 -5.987 0.046 1.00 0.00 C ATOM 97 OD1 ASP A 457 -12.158 -6.833 0.529 1.00 0.00 O ATOM 98 OD2 ASP A 457 -14.163 -5.965 0.295 1.00 0.00 O ATOM 0 H ASP A 457 -11.227 -4.100 1.129 1.00 0.00 H new ATOM 0 HA ASP A 457 -10.419 -5.825 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -12.814 -3.965 -0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -12.663 -5.167 -1.911 1.00 0.00 H new ATOM 103 N ALA A 458 -10.296 -2.628 -1.648 1.00 0.00 N ATOM 104 CA ALA A 458 -9.816 -1.660 -2.627 1.00 0.00 C ATOM 105 C ALA A 458 -8.368 -1.940 -3.011 1.00 0.00 C ATOM 106 O ALA A 458 -7.965 -1.718 -4.153 1.00 0.00 O ATOM 107 CB ALA A 458 -9.957 -0.247 -2.082 1.00 0.00 C ATOM 0 H ALA A 458 -10.599 -2.219 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 458 -10.426 -1.754 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -9.595 0.466 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -11.006 -0.044 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -9.371 -0.150 -1.168 1.00 0.00 H new ATOM 113 N VAL A 459 -7.590 -2.429 -2.052 1.00 0.00 N ATOM 114 CA VAL A 459 -6.186 -2.740 -2.292 1.00 0.00 C ATOM 115 C VAL A 459 -6.035 -4.063 -3.036 1.00 0.00 C ATOM 116 O VAL A 459 -5.206 -4.190 -3.936 1.00 0.00 O ATOM 117 CB VAL A 459 -5.394 -2.812 -0.973 1.00 0.00 C ATOM 118 CG1 VAL A 459 -3.907 -2.977 -1.249 1.00 0.00 C ATOM 119 CG2 VAL A 459 -5.654 -1.574 -0.128 1.00 0.00 C ATOM 0 H VAL A 459 -7.908 -2.619 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 459 -5.784 -1.934 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 459 -5.733 -3.684 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -3.365 -3.026 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -3.741 -3.896 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -3.548 -2.127 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -5.087 -1.641 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -5.344 -0.686 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -6.718 -1.507 0.101 1.00 0.00 H new ATOM 129 N ARG A 460 -6.840 -5.048 -2.650 1.00 0.00 N ATOM 130 CA ARG A 460 -6.796 -6.364 -3.277 1.00 0.00 C ATOM 131 C ARG A 460 -7.114 -6.275 -4.767 1.00 0.00 C ATOM 132 O ARG A 460 -6.450 -6.905 -5.590 1.00 0.00 O ATOM 133 CB ARG A 460 -7.780 -7.312 -2.590 1.00 0.00 C ATOM 134 CG ARG A 460 -7.725 -8.736 -3.120 1.00 0.00 C ATOM 135 CD ARG A 460 -8.731 -9.634 -2.416 1.00 0.00 C ATOM 136 NE ARG A 460 -8.417 -9.805 -1.000 1.00 0.00 N ATOM 137 CZ ARG A 460 -8.840 -8.987 -0.037 1.00 0.00 C ATOM 138 NH1 ARG A 460 -9.596 -7.935 -0.331 1.00 0.00 N ATOM 139 NH2 ARG A 460 -8.505 -9.220 1.225 1.00 0.00 N ATOM 0 H ARG A 460 -7.531 -4.959 -1.905 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.785 -6.755 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.573 -7.323 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -8.791 -6.925 -2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.925 -8.734 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -6.721 -9.137 -2.984 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -9.729 -9.208 -2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.750 -10.609 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 460 -7.838 -10.600 -0.731 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -9.857 -7.749 -1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -9.916 -7.313 0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -7.924 -10.025 1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -8.829 -8.594 1.962 1.00 0.00 H new ATOM 153 N ARG A 461 -8.135 -5.495 -5.105 1.00 0.00 N ATOM 154 CA ARG A 461 -8.540 -5.329 -6.497 1.00 0.00 C ATOM 155 C ARG A 461 -7.402 -4.754 -7.335 1.00 0.00 C ATOM 156 O ARG A 461 -7.152 -5.207 -8.452 1.00 0.00 O ATOM 157 CB ARG A 461 -9.767 -4.420 -6.590 1.00 0.00 C ATOM 158 CG ARG A 461 -9.587 -3.081 -5.895 1.00 0.00 C ATOM 159 CD ARG A 461 -10.803 -2.187 -6.078 1.00 0.00 C ATOM 160 NE ARG A 461 -11.964 -2.682 -5.341 1.00 0.00 N ATOM 161 CZ ARG A 461 -12.839 -3.559 -5.829 1.00 0.00 C ATOM 162 NH1 ARG A 461 -12.694 -4.046 -7.055 1.00 0.00 N ATOM 163 NH2 ARG A 461 -13.865 -3.951 -5.087 1.00 0.00 N ATOM 0 H ARG A 461 -8.697 -4.968 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 461 -8.794 -6.313 -6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -10.001 -4.246 -7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -10.623 -4.934 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -9.411 -3.243 -4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -8.704 -2.580 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -10.564 -1.178 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -11.048 -2.121 -7.138 1.00 0.00 H new ATOM 0 HE ARG A 461 -12.113 -2.334 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.907 -3.749 -7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -13.369 -4.717 -7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -13.983 -3.581 -4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -14.536 -4.623 -5.459 1.00 0.00 H new ATOM 177 N TYR A 462 -6.716 -3.755 -6.790 1.00 0.00 N ATOM 178 CA TYR A 462 -5.605 -3.120 -7.491 1.00 0.00 C ATOM 179 C TYR A 462 -4.410 -4.063 -7.590 1.00 0.00 C ATOM 180 O TYR A 462 -3.756 -4.143 -8.629 1.00 0.00 O ATOM 181 CB TYR A 462 -5.194 -1.830 -6.779 1.00 0.00 C ATOM 182 CG TYR A 462 -6.252 -0.750 -6.820 1.00 0.00 C ATOM 183 CD1 TYR A 462 -6.979 -0.507 -7.978 1.00 0.00 C ATOM 184 CD2 TYR A 462 -6.523 0.026 -5.700 1.00 0.00 C ATOM 185 CE1 TYR A 462 -7.946 0.481 -8.020 1.00 0.00 C ATOM 186 CE2 TYR A 462 -7.488 1.015 -5.733 1.00 0.00 C ATOM 187 CZ TYR A 462 -8.197 1.238 -6.895 1.00 0.00 C ATOM 188 OH TYR A 462 -9.159 2.221 -6.932 1.00 0.00 O ATOM 0 H TYR A 462 -6.909 -3.368 -5.866 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.938 -2.879 -8.501 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -4.960 -2.058 -5.739 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.280 -1.449 -7.235 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -6.786 -1.099 -8.860 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -5.970 -0.146 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.502 0.659 -8.929 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -7.686 1.610 -4.854 1.00 0.00 H new ATOM 0 HH TYR A 462 -9.212 2.660 -6.057 1.00 0.00 H new ATOM 198 N LEU A 463 -4.130 -4.773 -6.502 1.00 0.00 N ATOM 199 CA LEU A 463 -3.012 -5.709 -6.466 1.00 0.00 C ATOM 200 C LEU A 463 -3.273 -6.909 -7.372 1.00 0.00 C ATOM 201 O LEU A 463 -2.371 -7.388 -8.059 1.00 0.00 O ATOM 202 CB LEU A 463 -2.759 -6.180 -5.034 1.00 0.00 C ATOM 203 CG LEU A 463 -2.092 -5.149 -4.123 1.00 0.00 C ATOM 204 CD1 LEU A 463 -2.432 -5.423 -2.667 1.00 0.00 C ATOM 205 CD2 LEU A 463 -0.584 -5.154 -4.330 1.00 0.00 C ATOM 0 H LEU A 463 -4.662 -4.718 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 463 -2.126 -5.190 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -3.711 -6.473 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -2.134 -7.073 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 463 -2.473 -4.161 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -1.948 -4.679 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -3.512 -5.370 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -2.080 -6.417 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.124 -4.415 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 463 -0.188 -6.142 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -0.358 -4.909 -5.368 1.00 0.00 H new ATOM 217 N THR A 464 -4.512 -7.391 -7.366 1.00 0.00 N ATOM 218 CA THR A 464 -4.891 -8.531 -8.184 1.00 0.00 C ATOM 219 C THR A 464 -4.728 -8.218 -9.667 1.00 0.00 C ATOM 220 O THR A 464 -4.459 -9.108 -10.475 1.00 0.00 O ATOM 221 CB THR A 464 -6.335 -8.930 -7.889 1.00 0.00 C ATOM 222 OG1 THR A 464 -7.202 -7.818 -8.027 1.00 0.00 O ATOM 223 CG2 THR A 464 -6.529 -9.496 -6.497 1.00 0.00 C ATOM 0 H THR A 464 -5.270 -7.007 -6.802 1.00 0.00 H new ATOM 0 HA THR A 464 -4.231 -9.363 -7.936 1.00 0.00 H new ATOM 0 HB THR A 464 -6.573 -9.707 -8.615 1.00 0.00 H new ATOM 0 HG1 THR A 464 -6.681 -7.026 -8.277 1.00 0.00 H new ATOM 0 HG21 THR A 464 -7.577 -9.759 -6.354 1.00 0.00 H new ATOM 0 HG22 THR A 464 -5.912 -10.387 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 464 -6.238 -8.750 -5.757 1.00 0.00 H new ATOM 231 N ARG A 465 -4.890 -6.947 -10.021 1.00 0.00 N ATOM 232 CA ARG A 465 -4.758 -6.518 -11.409 1.00 0.00 C ATOM 233 C ARG A 465 -3.308 -6.603 -11.866 1.00 0.00 C ATOM 234 O ARG A 465 -2.970 -7.382 -12.757 1.00 0.00 O ATOM 235 CB ARG A 465 -5.275 -5.087 -11.573 1.00 0.00 C ATOM 236 CG ARG A 465 -5.432 -4.660 -13.023 1.00 0.00 C ATOM 237 CD ARG A 465 -6.863 -4.841 -13.504 1.00 0.00 C ATOM 238 NE ARG A 465 -7.218 -6.250 -13.650 1.00 0.00 N ATOM 239 CZ ARG A 465 -8.471 -6.698 -13.708 1.00 0.00 C ATOM 240 NH1 ARG A 465 -9.489 -5.850 -13.634 1.00 0.00 N ATOM 241 NH2 ARG A 465 -8.706 -7.996 -13.842 1.00 0.00 N ATOM 0 H ARG A 465 -5.113 -6.197 -9.367 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.356 -7.186 -12.030 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.238 -4.998 -11.070 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -4.590 -4.402 -11.073 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -5.140 -3.615 -13.130 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -4.759 -5.244 -13.651 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -7.545 -4.367 -12.798 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -6.991 -4.334 -14.461 1.00 0.00 H new ATOM 0 HE ARG A 465 -6.462 -6.931 -13.711 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -9.314 -4.850 -13.532 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -10.447 -6.198 -13.679 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -7.927 -8.652 -13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -9.666 -8.339 -13.886 1.00 0.00 H new ATOM 255 N LYS A 466 -2.459 -5.795 -11.249 1.00 0.00 N ATOM 256 CA LYS A 466 -1.040 -5.773 -11.583 1.00 0.00 C ATOM 257 C LYS A 466 -0.194 -5.491 -10.343 1.00 0.00 C ATOM 258 O LYS A 466 -0.617 -4.761 -9.447 1.00 0.00 O ATOM 259 CB LYS A 466 -0.763 -4.716 -12.654 1.00 0.00 C ATOM 260 CG LYS A 466 -1.202 -3.316 -12.255 1.00 0.00 C ATOM 261 CD LYS A 466 -2.588 -2.993 -12.790 1.00 0.00 C ATOM 262 CE LYS A 466 -2.686 -1.545 -13.244 1.00 0.00 C ATOM 263 NZ LYS A 466 -2.532 -0.596 -12.108 1.00 0.00 N ATOM 0 H LYS A 466 -2.728 -5.143 -10.512 1.00 0.00 H new ATOM 0 HA LYS A 466 -0.768 -6.754 -11.972 1.00 0.00 H new ATOM 0 HB2 LYS A 466 0.305 -4.704 -12.874 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -1.274 -5.000 -13.574 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -1.201 -3.229 -11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -0.486 -2.587 -12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.820 -3.654 -13.625 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.332 -3.184 -12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -1.917 -1.346 -13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.649 -1.380 -13.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -2.622 0.380 -12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -3.271 -0.780 -11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -1.596 -0.724 -11.674 1.00 0.00 H new ATOM 277 N PRO A 467 1.019 -6.068 -10.274 1.00 0.00 N ATOM 278 CA PRO A 467 1.921 -5.872 -9.135 1.00 0.00 C ATOM 279 C PRO A 467 2.179 -4.397 -8.849 1.00 0.00 C ATOM 280 O PRO A 467 2.476 -3.621 -9.757 1.00 0.00 O ATOM 281 CB PRO A 467 3.215 -6.563 -9.577 1.00 0.00 C ATOM 282 CG PRO A 467 2.783 -7.563 -10.593 1.00 0.00 C ATOM 283 CD PRO A 467 1.604 -6.953 -11.298 1.00 0.00 C ATOM 0 HA PRO A 467 1.502 -6.274 -8.213 1.00 0.00 H new ATOM 0 HB2 PRO A 467 3.921 -5.848 -10.000 1.00 0.00 H new ATOM 0 HB3 PRO A 467 3.714 -7.044 -8.736 1.00 0.00 H new ATOM 0 HG2 PRO A 467 3.588 -7.779 -11.295 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.510 -8.507 -10.121 1.00 0.00 H new ATOM 0 HD2 PRO A 467 1.909 -6.397 -12.184 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.894 -7.712 -11.627 1.00 0.00 H new ATOM 291 N MET A 468 2.066 -4.015 -7.580 1.00 0.00 N ATOM 292 CA MET A 468 2.288 -2.631 -7.177 1.00 0.00 C ATOM 293 C MET A 468 3.039 -2.564 -5.851 1.00 0.00 C ATOM 294 O MET A 468 2.909 -3.449 -5.007 1.00 0.00 O ATOM 295 CB MET A 468 0.953 -1.893 -7.057 1.00 0.00 C ATOM 296 CG MET A 468 -0.100 -2.662 -6.275 1.00 0.00 C ATOM 297 SD MET A 468 -1.781 -2.165 -6.701 1.00 0.00 S ATOM 298 CE MET A 468 -1.695 -0.400 -6.417 1.00 0.00 C ATOM 0 H MET A 468 1.822 -4.644 -6.815 1.00 0.00 H new ATOM 0 HA MET A 468 2.895 -2.149 -7.943 1.00 0.00 H new ATOM 0 HB2 MET A 468 1.122 -0.931 -6.574 1.00 0.00 H new ATOM 0 HB3 MET A 468 0.571 -1.685 -8.057 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.019 -3.729 -6.465 1.00 0.00 H new ATOM 0 HG3 MET A 468 0.061 -2.508 -5.208 1.00 0.00 H new ATOM 0 HE1 MET A 468 -2.512 -0.097 -5.762 1.00 0.00 H new ATOM 0 HE2 MET A 468 -0.743 -0.153 -5.948 1.00 0.00 H new ATOM 0 HE3 MET A 468 -1.778 0.126 -7.368 1.00 0.00 H new ATOM 308 N THR A 469 3.826 -1.507 -5.677 1.00 0.00 N ATOM 309 CA THR A 469 4.599 -1.323 -4.454 1.00 0.00 C ATOM 310 C THR A 469 3.782 -0.582 -3.401 1.00 0.00 C ATOM 311 O THR A 469 2.711 -0.051 -3.693 1.00 0.00 O ATOM 312 CB THR A 469 5.888 -0.554 -4.751 1.00 0.00 C ATOM 313 OG1 THR A 469 5.602 0.791 -5.091 1.00 0.00 O ATOM 314 CG2 THR A 469 6.695 -1.152 -5.882 1.00 0.00 C ATOM 0 H THR A 469 3.945 -0.765 -6.367 1.00 0.00 H new ATOM 0 HA THR A 469 4.854 -2.308 -4.063 1.00 0.00 H new ATOM 0 HB THR A 469 6.477 -0.614 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.439 1.267 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.595 -0.558 -6.040 1.00 0.00 H new ATOM 0 HG22 THR A 469 6.974 -2.175 -5.629 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.097 -1.155 -6.794 1.00 0.00 H new ATOM 322 N THR A 470 4.296 -0.548 -2.175 1.00 0.00 N ATOM 323 CA THR A 470 3.612 0.128 -1.078 1.00 0.00 C ATOM 324 C THR A 470 3.409 1.607 -1.393 1.00 0.00 C ATOM 325 O THR A 470 2.344 2.166 -1.130 1.00 0.00 O ATOM 326 CB THR A 470 4.409 -0.022 0.217 1.00 0.00 C ATOM 327 OG1 THR A 470 5.774 0.294 0.006 1.00 0.00 O ATOM 328 CG2 THR A 470 4.345 -1.417 0.801 1.00 0.00 C ATOM 0 H THR A 470 5.183 -0.980 -1.917 1.00 0.00 H new ATOM 0 HA THR A 470 2.634 -0.337 -0.952 1.00 0.00 H new ATOM 0 HB THR A 470 3.948 0.671 0.921 1.00 0.00 H new ATOM 0 HG1 THR A 470 6.336 -0.421 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.932 -1.454 1.719 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.309 -1.672 1.022 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.749 -2.131 0.083 1.00 0.00 H new ATOM 336 N LYS A 471 4.435 2.234 -1.958 1.00 0.00 N ATOM 337 CA LYS A 471 4.369 3.648 -2.309 1.00 0.00 C ATOM 338 C LYS A 471 3.227 3.914 -3.284 1.00 0.00 C ATOM 339 O LYS A 471 2.544 4.934 -3.192 1.00 0.00 O ATOM 340 CB LYS A 471 5.693 4.106 -2.921 1.00 0.00 C ATOM 341 CG LYS A 471 6.858 4.079 -1.943 1.00 0.00 C ATOM 342 CD LYS A 471 8.157 4.497 -2.614 1.00 0.00 C ATOM 343 CE LYS A 471 8.147 5.974 -2.976 1.00 0.00 C ATOM 344 NZ LYS A 471 9.482 6.604 -2.775 1.00 0.00 N ATOM 0 H LYS A 471 5.323 1.785 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 471 4.183 4.214 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 471 5.930 3.468 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 471 5.575 5.119 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 471 6.648 4.746 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 471 6.966 3.075 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 471 8.995 4.290 -1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 471 8.311 3.902 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 471 7.843 6.091 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 471 7.406 6.492 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 9.433 7.610 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 9.761 6.515 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 10.185 6.127 -3.375 1.00 0.00 H new ATOM 358 N ASP A 472 3.024 2.989 -4.217 1.00 0.00 N ATOM 359 CA ASP A 472 1.964 3.124 -5.208 1.00 0.00 C ATOM 360 C ASP A 472 0.595 3.169 -4.539 1.00 0.00 C ATOM 361 O ASP A 472 -0.297 3.898 -4.971 1.00 0.00 O ATOM 362 CB ASP A 472 2.020 1.965 -6.206 1.00 0.00 C ATOM 363 CG ASP A 472 1.065 2.157 -7.368 1.00 0.00 C ATOM 364 OD1 ASP A 472 1.444 2.845 -8.340 1.00 0.00 O ATOM 365 OD2 ASP A 472 -0.060 1.618 -7.308 1.00 0.00 O ATOM 0 H ASP A 472 3.580 2.138 -4.307 1.00 0.00 H new ATOM 0 HA ASP A 472 2.117 4.062 -5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.036 1.866 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 472 1.780 1.034 -5.692 1.00 0.00 H new ATOM 370 N LEU A 473 0.437 2.382 -3.480 1.00 0.00 N ATOM 371 CA LEU A 473 -0.824 2.330 -2.748 1.00 0.00 C ATOM 372 C LEU A 473 -1.165 3.694 -2.156 1.00 0.00 C ATOM 373 O LEU A 473 -2.303 4.154 -2.249 1.00 0.00 O ATOM 374 CB LEU A 473 -0.748 1.281 -1.635 1.00 0.00 C ATOM 375 CG LEU A 473 -0.432 -0.139 -2.105 1.00 0.00 C ATOM 376 CD1 LEU A 473 -0.469 -1.109 -0.935 1.00 0.00 C ATOM 377 CD2 LEU A 473 -1.409 -0.572 -3.188 1.00 0.00 C ATOM 0 H LEU A 473 1.166 1.772 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.612 2.051 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.014 1.588 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.699 1.268 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 473 0.574 -0.146 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -0.242 -2.115 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.270 -0.810 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -1.462 -1.098 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.169 -1.585 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.424 -0.548 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -1.334 0.107 -4.038 1.00 0.00 H new ATOM 389 N LEU A 474 -0.172 4.336 -1.550 1.00 0.00 N ATOM 390 CA LEU A 474 -0.368 5.648 -0.944 1.00 0.00 C ATOM 391 C LEU A 474 -0.581 6.714 -2.014 1.00 0.00 C ATOM 392 O LEU A 474 -1.283 7.700 -1.790 1.00 0.00 O ATOM 393 CB LEU A 474 0.833 6.017 -0.072 1.00 0.00 C ATOM 394 CG LEU A 474 0.864 5.350 1.304 1.00 0.00 C ATOM 395 CD1 LEU A 474 2.234 5.510 1.945 1.00 0.00 C ATOM 396 CD2 LEU A 474 -0.219 5.934 2.201 1.00 0.00 C ATOM 0 H LEU A 474 0.776 3.969 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 474 -1.260 5.602 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 474 1.745 5.754 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 474 0.844 7.098 0.065 1.00 0.00 H new ATOM 0 HG LEU A 474 0.669 4.285 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 474 2.236 5.029 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 474 2.989 5.046 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 474 2.460 6.570 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -0.184 5.449 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.053 7.005 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -1.196 5.767 1.748 1.00 0.00 H new ATOM 408 N LYS A 475 0.028 6.509 -3.178 1.00 0.00 N ATOM 409 CA LYS A 475 -0.094 7.454 -4.282 1.00 0.00 C ATOM 410 C LYS A 475 -1.556 7.652 -4.672 1.00 0.00 C ATOM 411 O LYS A 475 -1.967 8.752 -5.043 1.00 0.00 O ATOM 412 CB LYS A 475 0.705 6.961 -5.491 1.00 0.00 C ATOM 413 CG LYS A 475 0.751 7.958 -6.638 1.00 0.00 C ATOM 414 CD LYS A 475 1.513 7.401 -7.829 1.00 0.00 C ATOM 415 CE LYS A 475 1.718 8.458 -8.902 1.00 0.00 C ATOM 416 NZ LYS A 475 2.535 7.945 -10.037 1.00 0.00 N ATOM 0 H LYS A 475 0.611 5.697 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 475 0.308 8.412 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 475 1.724 6.736 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 475 0.269 6.028 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -0.265 8.213 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 475 1.224 8.880 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 475 2.481 7.023 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 475 0.967 6.556 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 475 0.749 8.791 -9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 475 2.208 9.328 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 2.652 8.695 -10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 3.469 7.651 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 2.055 7.130 -10.470 1.00 0.00 H new ATOM 430 N LYS A 476 -2.337 6.581 -4.584 1.00 0.00 N ATOM 431 CA LYS A 476 -3.753 6.637 -4.927 1.00 0.00 C ATOM 432 C LYS A 476 -4.493 7.629 -4.035 1.00 0.00 C ATOM 433 O LYS A 476 -5.389 8.339 -4.490 1.00 0.00 O ATOM 434 CB LYS A 476 -4.385 5.249 -4.799 1.00 0.00 C ATOM 435 CG LYS A 476 -3.702 4.190 -5.647 1.00 0.00 C ATOM 436 CD LYS A 476 -3.804 4.510 -7.129 1.00 0.00 C ATOM 437 CE LYS A 476 -3.294 3.361 -7.984 1.00 0.00 C ATOM 438 NZ LYS A 476 -4.407 2.507 -8.486 1.00 0.00 N ATOM 0 H LYS A 476 -2.013 5.663 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.837 6.974 -5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -4.356 4.940 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -5.435 5.309 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -2.653 4.115 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -4.155 3.218 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -4.842 4.723 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -3.230 5.410 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -2.732 3.759 -8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -2.604 2.752 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -4.018 1.735 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -4.928 2.107 -7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -5.052 3.082 -9.064 1.00 0.00 H new ATOM 452 N PHE A 477 -4.111 7.670 -2.762 1.00 0.00 N ATOM 453 CA PHE A 477 -4.739 8.576 -1.806 1.00 0.00 C ATOM 454 C PHE A 477 -3.698 9.188 -0.872 1.00 0.00 C ATOM 455 O PHE A 477 -3.804 9.080 0.350 1.00 0.00 O ATOM 456 CB PHE A 477 -5.802 7.833 -0.992 1.00 0.00 C ATOM 457 CG PHE A 477 -6.950 7.330 -1.821 1.00 0.00 C ATOM 458 CD1 PHE A 477 -8.016 8.160 -2.127 1.00 0.00 C ATOM 459 CD2 PHE A 477 -6.961 6.028 -2.295 1.00 0.00 C ATOM 460 CE1 PHE A 477 -9.074 7.701 -2.888 1.00 0.00 C ATOM 461 CE2 PHE A 477 -8.016 5.563 -3.056 1.00 0.00 C ATOM 462 CZ PHE A 477 -9.073 6.401 -3.354 1.00 0.00 C ATOM 0 H PHE A 477 -3.371 7.088 -2.369 1.00 0.00 H new ATOM 0 HA PHE A 477 -5.217 9.382 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.335 6.990 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -6.187 8.498 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.020 9.178 -1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -6.136 5.370 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.900 8.358 -3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -8.014 4.545 -3.418 1.00 0.00 H new ATOM 0 HZ PHE A 477 -9.898 6.040 -3.951 1.00 0.00 H new ATOM 472 N GLN A 478 -2.693 9.830 -1.456 1.00 0.00 N ATOM 473 CA GLN A 478 -1.632 10.459 -0.678 1.00 0.00 C ATOM 474 C GLN A 478 -2.184 11.596 0.175 1.00 0.00 C ATOM 475 O GLN A 478 -1.779 11.777 1.323 1.00 0.00 O ATOM 476 CB GLN A 478 -0.536 10.988 -1.606 1.00 0.00 C ATOM 477 CG GLN A 478 -1.018 12.063 -2.564 1.00 0.00 C ATOM 478 CD GLN A 478 0.080 12.555 -3.488 1.00 0.00 C ATOM 479 OE1 GLN A 478 0.844 13.455 -3.140 1.00 0.00 O ATOM 480 NE2 GLN A 478 0.164 11.963 -4.674 1.00 0.00 N ATOM 0 H GLN A 478 -2.590 9.929 -2.466 1.00 0.00 H new ATOM 0 HA GLN A 478 -1.206 9.706 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 478 0.278 11.390 -1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -0.126 10.158 -2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -1.841 11.670 -3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -1.411 12.904 -1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -0.491 11.221 -4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 478 0.883 12.251 -5.338 1.00 0.00 H new ATOM 489 N THR A 479 -3.110 12.360 -0.394 1.00 0.00 N ATOM 490 CA THR A 479 -3.718 13.480 0.314 1.00 0.00 C ATOM 491 C THR A 479 -4.820 14.119 -0.526 1.00 0.00 C ATOM 492 O THR A 479 -4.884 15.341 -0.665 1.00 0.00 O ATOM 493 CB THR A 479 -2.654 14.521 0.670 1.00 0.00 C ATOM 494 OG1 THR A 479 -3.255 15.713 1.143 1.00 0.00 O ATOM 495 CG2 THR A 479 -1.761 14.886 -0.496 1.00 0.00 C ATOM 0 H THR A 479 -3.456 12.224 -1.344 1.00 0.00 H new ATOM 0 HA THR A 479 -4.164 13.102 1.234 1.00 0.00 H new ATOM 0 HB THR A 479 -2.042 14.056 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 479 -3.873 16.059 0.465 1.00 0.00 H new ATOM 0 HG21 THR A 479 -1.030 15.628 -0.176 1.00 0.00 H new ATOM 0 HG22 THR A 479 -1.243 13.995 -0.850 1.00 0.00 H new ATOM 0 HG23 THR A 479 -2.367 15.298 -1.303 1.00 0.00 H new ATOM 503 N LYS A 480 -5.689 13.283 -1.085 1.00 0.00 N ATOM 504 CA LYS A 480 -6.792 13.761 -1.911 1.00 0.00 C ATOM 505 C LYS A 480 -7.996 14.125 -1.050 1.00 0.00 C ATOM 506 O LYS A 480 -7.939 14.051 0.178 1.00 0.00 O ATOM 507 CB LYS A 480 -7.184 12.699 -2.938 1.00 0.00 C ATOM 508 CG LYS A 480 -6.185 12.554 -4.074 1.00 0.00 C ATOM 509 CD LYS A 480 -4.822 12.114 -3.567 1.00 0.00 C ATOM 510 CE LYS A 480 -3.895 11.740 -4.711 1.00 0.00 C ATOM 511 NZ LYS A 480 -3.075 12.898 -5.164 1.00 0.00 N ATOM 0 H LYS A 480 -5.650 12.269 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 480 -6.460 14.657 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -7.290 11.739 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -8.160 12.950 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -6.557 11.827 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -6.089 13.505 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -4.374 12.917 -2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -4.939 11.261 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -3.237 10.931 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -4.484 11.363 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -2.352 12.570 -5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -3.689 13.597 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -2.611 13.337 -4.343 1.00 0.00 H new ATOM 525 N LYS A 481 -9.086 14.521 -1.700 1.00 0.00 N ATOM 526 CA LYS A 481 -10.305 14.898 -0.992 1.00 0.00 C ATOM 527 C LYS A 481 -10.964 13.678 -0.353 1.00 0.00 C ATOM 528 O LYS A 481 -12.061 13.276 -0.740 1.00 0.00 O ATOM 529 CB LYS A 481 -11.285 15.580 -1.949 1.00 0.00 C ATOM 530 CG LYS A 481 -12.529 16.120 -1.263 1.00 0.00 C ATOM 531 CD LYS A 481 -12.231 17.393 -0.489 1.00 0.00 C ATOM 532 CE LYS A 481 -13.494 17.982 0.120 1.00 0.00 C ATOM 533 NZ LYS A 481 -14.116 19.001 -0.769 1.00 0.00 N ATOM 0 H LYS A 481 -9.150 14.589 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 481 -10.034 15.597 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -10.775 16.399 -2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -11.584 14.868 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -13.299 16.318 -2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -12.928 15.366 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -11.510 17.180 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -11.770 18.125 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -14.210 17.183 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -13.256 18.436 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -14.974 19.378 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -13.442 19.776 -0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -14.367 18.562 -1.678 1.00 0.00 H new ATOM 547 N THR A 482 -10.285 13.094 0.630 1.00 0.00 N ATOM 548 CA THR A 482 -10.801 11.922 1.327 1.00 0.00 C ATOM 549 C THR A 482 -11.215 12.270 2.754 1.00 0.00 C ATOM 550 O THR A 482 -12.038 11.580 3.356 1.00 0.00 O ATOM 551 CB THR A 482 -9.749 10.812 1.347 1.00 0.00 C ATOM 552 OG1 THR A 482 -8.527 11.291 1.879 1.00 0.00 O ATOM 553 CG2 THR A 482 -9.460 10.236 -0.022 1.00 0.00 C ATOM 0 H THR A 482 -9.375 13.414 0.962 1.00 0.00 H new ATOM 0 HA THR A 482 -11.682 11.572 0.789 1.00 0.00 H new ATOM 0 HB THR A 482 -10.171 10.025 1.972 1.00 0.00 H new ATOM 0 HG1 THR A 482 -7.867 10.567 1.885 1.00 0.00 H new ATOM 0 HG21 THR A 482 -8.705 9.454 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 482 -10.374 9.814 -0.439 1.00 0.00 H new ATOM 0 HG23 THR A 482 -9.092 11.025 -0.678 1.00 0.00 H new ATOM 561 N GLY A 483 -10.640 13.342 3.291 1.00 0.00 N ATOM 562 CA GLY A 483 -10.963 13.757 4.643 1.00 0.00 C ATOM 563 C GLY A 483 -9.900 13.349 5.644 1.00 0.00 C ATOM 564 O GLY A 483 -9.789 13.942 6.716 1.00 0.00 O ATOM 0 H GLY A 483 -9.957 13.930 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -11.085 14.840 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -11.919 13.322 4.935 1.00 0.00 H new ATOM 568 N LEU A 484 -9.116 12.333 5.293 1.00 0.00 N ATOM 569 CA LEU A 484 -8.057 11.846 6.168 1.00 0.00 C ATOM 570 C LEU A 484 -6.705 12.422 5.757 1.00 0.00 C ATOM 571 O LEU A 484 -6.398 12.520 4.569 1.00 0.00 O ATOM 572 CB LEU A 484 -8.003 10.318 6.138 1.00 0.00 C ATOM 573 CG LEU A 484 -9.290 9.612 6.570 1.00 0.00 C ATOM 574 CD1 LEU A 484 -9.746 10.118 7.930 1.00 0.00 C ATOM 575 CD2 LEU A 484 -10.383 9.813 5.532 1.00 0.00 C ATOM 0 H LEU A 484 -9.195 11.832 4.408 1.00 0.00 H new ATOM 0 HA LEU A 484 -8.279 12.174 7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -7.755 9.999 5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.191 9.986 6.785 1.00 0.00 H new ATOM 0 HG LEU A 484 -9.085 8.544 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -10.663 9.605 8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.970 9.922 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.933 11.191 7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -11.291 9.304 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -10.585 10.878 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -10.058 9.401 4.577 1.00 0.00 H new ATOM 587 N SER A 485 -5.901 12.798 6.745 1.00 0.00 N ATOM 588 CA SER A 485 -4.583 13.362 6.484 1.00 0.00 C ATOM 589 C SER A 485 -3.623 12.289 5.983 1.00 0.00 C ATOM 590 O SER A 485 -3.879 11.094 6.135 1.00 0.00 O ATOM 591 CB SER A 485 -4.023 14.013 7.751 1.00 0.00 C ATOM 592 OG SER A 485 -2.792 14.664 7.489 1.00 0.00 O ATOM 0 H SER A 485 -6.139 12.722 7.734 1.00 0.00 H new ATOM 0 HA SER A 485 -4.687 14.122 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 485 -4.742 14.732 8.142 1.00 0.00 H new ATOM 0 HB3 SER A 485 -3.880 13.254 8.521 1.00 0.00 H new ATOM 0 HG SER A 485 -2.456 15.073 8.314 1.00 0.00 H new ATOM 598 N SER A 486 -2.517 12.721 5.385 1.00 0.00 N ATOM 599 CA SER A 486 -1.519 11.794 4.861 1.00 0.00 C ATOM 600 C SER A 486 -0.998 10.876 5.962 1.00 0.00 C ATOM 601 O SER A 486 -0.717 9.701 5.723 1.00 0.00 O ATOM 602 CB SER A 486 -0.357 12.566 4.233 1.00 0.00 C ATOM 603 OG SER A 486 0.381 13.268 5.218 1.00 0.00 O ATOM 0 H SER A 486 -2.289 13.706 5.251 1.00 0.00 H new ATOM 0 HA SER A 486 -1.995 11.180 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 486 0.300 11.874 3.706 1.00 0.00 H new ATOM 0 HB3 SER A 486 -0.741 13.268 3.493 1.00 0.00 H new ATOM 0 HG SER A 486 1.119 13.752 4.791 1.00 0.00 H new ATOM 609 N GLU A 487 -0.875 11.419 7.169 1.00 0.00 N ATOM 610 CA GLU A 487 -0.390 10.647 8.308 1.00 0.00 C ATOM 611 C GLU A 487 -1.453 9.664 8.788 1.00 0.00 C ATOM 612 O GLU A 487 -1.156 8.504 9.072 1.00 0.00 O ATOM 613 CB GLU A 487 0.011 11.582 9.450 1.00 0.00 C ATOM 614 CG GLU A 487 0.639 10.863 10.633 1.00 0.00 C ATOM 615 CD GLU A 487 0.926 11.793 11.796 1.00 0.00 C ATOM 616 OE1 GLU A 487 1.775 12.694 11.638 1.00 0.00 O ATOM 617 OE2 GLU A 487 0.301 11.619 12.863 1.00 0.00 O ATOM 0 H GLU A 487 -1.104 12.389 7.384 1.00 0.00 H new ATOM 0 HA GLU A 487 0.485 10.081 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 487 0.714 12.324 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.871 12.124 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -0.028 10.067 10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 487 1.567 10.389 10.314 1.00 0.00 H new ATOM 624 N GLN A 488 -2.692 10.137 8.875 1.00 0.00 N ATOM 625 CA GLN A 488 -3.800 9.301 9.321 1.00 0.00 C ATOM 626 C GLN A 488 -4.066 8.173 8.329 1.00 0.00 C ATOM 627 O GLN A 488 -4.338 7.039 8.721 1.00 0.00 O ATOM 628 CB GLN A 488 -5.064 10.145 9.500 1.00 0.00 C ATOM 629 CG GLN A 488 -4.950 11.184 10.603 1.00 0.00 C ATOM 630 CD GLN A 488 -6.192 12.045 10.724 1.00 0.00 C ATOM 631 OE1 GLN A 488 -7.022 12.090 9.815 1.00 0.00 O ATOM 632 NE2 GLN A 488 -6.327 12.735 11.851 1.00 0.00 N ATOM 0 H GLN A 488 -2.954 11.095 8.642 1.00 0.00 H new ATOM 0 HA GLN A 488 -3.526 8.861 10.280 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.291 10.648 8.560 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.903 9.485 9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.767 10.682 11.553 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -4.088 11.822 10.408 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -5.615 12.668 12.578 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.143 13.332 11.989 1.00 0.00 H new ATOM 641 N THR A 489 -3.985 8.494 7.042 1.00 0.00 N ATOM 642 CA THR A 489 -4.216 7.508 5.993 1.00 0.00 C ATOM 643 C THR A 489 -3.219 6.359 6.094 1.00 0.00 C ATOM 644 O THR A 489 -3.584 5.193 5.946 1.00 0.00 O ATOM 645 CB THR A 489 -4.116 8.166 4.615 1.00 0.00 C ATOM 646 OG1 THR A 489 -4.994 9.274 4.522 1.00 0.00 O ATOM 647 CG2 THR A 489 -4.443 7.224 3.476 1.00 0.00 C ATOM 0 H THR A 489 -3.761 9.429 6.701 1.00 0.00 H new ATOM 0 HA THR A 489 -5.220 7.105 6.124 1.00 0.00 H new ATOM 0 HB THR A 489 -3.076 8.478 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 489 -4.549 10.074 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 489 -4.353 7.754 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 489 -3.750 6.383 3.489 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.462 6.855 3.590 1.00 0.00 H new ATOM 655 N VAL A 490 -1.959 6.697 6.347 1.00 0.00 N ATOM 656 CA VAL A 490 -0.909 5.693 6.469 1.00 0.00 C ATOM 657 C VAL A 490 -1.173 4.765 7.650 1.00 0.00 C ATOM 658 O VAL A 490 -0.919 3.563 7.577 1.00 0.00 O ATOM 659 CB VAL A 490 0.476 6.345 6.638 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.571 5.289 6.645 1.00 0.00 C ATOM 661 CG2 VAL A 490 0.722 7.372 5.541 1.00 0.00 C ATOM 0 H VAL A 490 -1.641 7.658 6.471 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.916 5.113 5.546 1.00 0.00 H new ATOM 0 HB VAL A 490 0.497 6.860 7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.541 5.771 6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.405 4.598 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.553 4.740 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 490 1.705 7.822 5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.679 6.883 4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -0.042 8.148 5.591 1.00 0.00 H new ATOM 671 N ASN A 491 -1.683 5.331 8.739 1.00 0.00 N ATOM 672 CA ASN A 491 -1.979 4.554 9.938 1.00 0.00 C ATOM 673 C ASN A 491 -2.966 3.431 9.632 1.00 0.00 C ATOM 674 O ASN A 491 -2.803 2.304 10.098 1.00 0.00 O ATOM 675 CB ASN A 491 -2.545 5.461 11.031 1.00 0.00 C ATOM 676 CG ASN A 491 -1.539 6.493 11.505 1.00 0.00 C ATOM 677 OD1 ASN A 491 -0.337 6.350 11.286 1.00 0.00 O ATOM 678 ND2 ASN A 491 -2.030 7.541 12.158 1.00 0.00 N ATOM 0 H ASN A 491 -1.900 6.325 8.816 1.00 0.00 H new ATOM 0 HA ASN A 491 -1.048 4.108 10.289 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -3.433 5.969 10.654 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -2.862 4.851 11.877 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.402 8.268 12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -3.035 7.618 12.317 1.00 0.00 H new ATOM 685 N VAL A 492 -3.990 3.747 8.845 1.00 0.00 N ATOM 686 CA VAL A 492 -5.002 2.764 8.478 1.00 0.00 C ATOM 687 C VAL A 492 -4.479 1.808 7.410 1.00 0.00 C ATOM 688 O VAL A 492 -4.616 0.591 7.531 1.00 0.00 O ATOM 689 CB VAL A 492 -6.284 3.445 7.958 1.00 0.00 C ATOM 690 CG1 VAL A 492 -7.381 2.416 7.726 1.00 0.00 C ATOM 691 CG2 VAL A 492 -6.748 4.518 8.931 1.00 0.00 C ATOM 0 H VAL A 492 -4.140 4.675 8.450 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.238 2.201 9.381 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.059 3.922 7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.277 2.916 7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.045 1.686 6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.607 1.908 8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -7.654 4.989 8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -6.956 4.065 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -5.967 5.271 9.042 1.00 0.00 H new ATOM 701 N LEU A 493 -3.881 2.369 6.363 1.00 0.00 N ATOM 702 CA LEU A 493 -3.339 1.567 5.273 1.00 0.00 C ATOM 703 C LEU A 493 -2.197 0.681 5.762 1.00 0.00 C ATOM 704 O LEU A 493 -1.990 -0.419 5.251 1.00 0.00 O ATOM 705 CB LEU A 493 -2.849 2.471 4.140 1.00 0.00 C ATOM 706 CG LEU A 493 -3.923 2.889 3.132 1.00 0.00 C ATOM 707 CD1 LEU A 493 -4.355 1.698 2.290 1.00 0.00 C ATOM 708 CD2 LEU A 493 -5.119 3.499 3.849 1.00 0.00 C ATOM 0 H LEU A 493 -3.760 3.375 6.247 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.137 0.926 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.413 3.370 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.051 1.956 3.605 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.499 3.643 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -5.119 2.013 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.495 1.304 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -4.761 0.922 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -5.872 3.790 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -5.544 2.767 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.798 4.378 4.409 1.00 0.00 H new ATOM 720 N ALA A 494 -1.458 1.168 6.753 1.00 0.00 N ATOM 721 CA ALA A 494 -0.339 0.417 7.308 1.00 0.00 C ATOM 722 C ALA A 494 -0.828 -0.810 8.067 1.00 0.00 C ATOM 723 O ALA A 494 -0.255 -1.894 7.952 1.00 0.00 O ATOM 724 CB ALA A 494 0.496 1.306 8.217 1.00 0.00 C ATOM 0 H ALA A 494 -1.614 2.078 7.187 1.00 0.00 H new ATOM 0 HA ALA A 494 0.285 0.077 6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 494 1.328 0.731 8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 494 0.883 2.149 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -0.124 1.675 9.034 1.00 0.00 H new ATOM 730 N GLN A 495 -1.889 -0.630 8.842 1.00 0.00 N ATOM 731 CA GLN A 495 -2.462 -1.720 9.623 1.00 0.00 C ATOM 732 C GLN A 495 -3.219 -2.696 8.727 1.00 0.00 C ATOM 733 O GLN A 495 -3.125 -3.911 8.899 1.00 0.00 O ATOM 734 CB GLN A 495 -3.398 -1.167 10.699 1.00 0.00 C ATOM 735 CG GLN A 495 -2.691 -0.317 11.742 1.00 0.00 C ATOM 736 CD GLN A 495 -1.694 -1.111 12.563 1.00 0.00 C ATOM 737 OE1 GLN A 495 -2.029 -2.151 13.131 1.00 0.00 O ATOM 738 NE2 GLN A 495 -0.462 -0.623 12.632 1.00 0.00 N ATOM 0 H GLN A 495 -2.372 0.262 8.947 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.644 -2.257 10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.175 -0.570 10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.897 -1.998 11.197 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.175 0.505 11.246 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.432 0.127 12.407 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.228 0.242 12.145 1.00 0.00 H new ATOM 0 HE22 GLN A 495 0.251 -1.113 13.172 1.00 0.00 H new ATOM 747 N ILE A 496 -3.969 -2.156 7.773 1.00 0.00 N ATOM 748 CA ILE A 496 -4.743 -2.979 6.852 1.00 0.00 C ATOM 749 C ILE A 496 -3.825 -3.805 5.956 1.00 0.00 C ATOM 750 O ILE A 496 -4.049 -4.997 5.744 1.00 0.00 O ATOM 751 CB ILE A 496 -5.688 -2.110 5.986 1.00 0.00 C ATOM 752 CG1 ILE A 496 -6.940 -2.902 5.606 1.00 0.00 C ATOM 753 CG2 ILE A 496 -4.987 -1.587 4.738 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.043 -2.046 5.024 1.00 0.00 C ATOM 0 H ILE A 496 -4.057 -1.152 7.617 1.00 0.00 H new ATOM 0 HA ILE A 496 -5.350 -3.658 7.450 1.00 0.00 H new ATOM 0 HB ILE A 496 -5.983 -1.247 6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -6.668 -3.671 4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -7.318 -3.415 6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -5.683 -0.982 4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -4.132 -0.977 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -4.644 -2.427 4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -8.899 -2.674 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.343 -1.293 5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -7.683 -1.553 4.121 1.00 0.00 H new ATOM 766 N LEU A 497 -2.793 -3.155 5.436 1.00 0.00 N ATOM 767 CA LEU A 497 -1.831 -3.816 4.559 1.00 0.00 C ATOM 768 C LEU A 497 -0.974 -4.812 5.335 1.00 0.00 C ATOM 769 O LEU A 497 -0.517 -5.810 4.783 1.00 0.00 O ATOM 770 CB LEU A 497 -0.937 -2.782 3.876 1.00 0.00 C ATOM 771 CG LEU A 497 -1.599 -2.002 2.740 1.00 0.00 C ATOM 772 CD1 LEU A 497 -0.746 -0.807 2.345 1.00 0.00 C ATOM 773 CD2 LEU A 497 -1.835 -2.909 1.541 1.00 0.00 C ATOM 0 H LEU A 497 -2.599 -2.168 5.606 1.00 0.00 H new ATOM 0 HA LEU A 497 -2.390 -4.363 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -0.588 -2.074 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -0.056 -3.289 3.483 1.00 0.00 H new ATOM 0 HG LEU A 497 -2.563 -1.634 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -1.233 -0.264 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -0.625 -0.146 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 497 0.233 -1.153 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -2.307 -2.339 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -0.882 -3.305 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -2.486 -3.734 1.831 1.00 0.00 H new ATOM 785 N LYS A 498 -0.757 -4.535 6.616 1.00 0.00 N ATOM 786 CA LYS A 498 0.050 -5.411 7.460 1.00 0.00 C ATOM 787 C LYS A 498 -0.486 -6.840 7.437 1.00 0.00 C ATOM 788 O LYS A 498 0.247 -7.784 7.146 1.00 0.00 O ATOM 789 CB LYS A 498 0.076 -4.891 8.897 1.00 0.00 C ATOM 790 CG LYS A 498 1.093 -5.596 9.781 1.00 0.00 C ATOM 791 CD LYS A 498 0.417 -6.394 10.885 1.00 0.00 C ATOM 792 CE LYS A 498 0.111 -7.814 10.439 1.00 0.00 C ATOM 793 NZ LYS A 498 -0.245 -8.692 11.587 1.00 0.00 N ATOM 0 H LYS A 498 -1.127 -3.713 7.093 1.00 0.00 H new ATOM 0 HA LYS A 498 1.065 -5.416 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 498 0.296 -3.824 8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -0.916 -5.007 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 498 1.705 -6.262 9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.765 -4.860 10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 498 1.061 -6.419 11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 498 -0.507 -5.897 11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 498 -0.711 -7.801 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 498 0.977 -8.227 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 -0.447 -9.652 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 0.549 -8.726 12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 -1.087 -8.313 12.066 1.00 0.00 H new ATOM 807 N ARG A 499 -1.770 -6.989 7.747 1.00 0.00 N ATOM 808 CA ARG A 499 -2.410 -8.299 7.765 1.00 0.00 C ATOM 809 C ARG A 499 -2.725 -8.788 6.351 1.00 0.00 C ATOM 810 O ARG A 499 -3.004 -9.969 6.143 1.00 0.00 O ATOM 811 CB ARG A 499 -3.694 -8.250 8.594 1.00 0.00 C ATOM 812 CG ARG A 499 -3.461 -7.895 10.054 1.00 0.00 C ATOM 813 CD ARG A 499 -4.753 -7.951 10.854 1.00 0.00 C ATOM 814 NE ARG A 499 -4.587 -7.412 12.200 1.00 0.00 N ATOM 815 CZ ARG A 499 -5.597 -7.019 12.972 1.00 0.00 C ATOM 816 NH1 ARG A 499 -6.848 -7.105 12.534 1.00 0.00 N ATOM 817 NH2 ARG A 499 -5.359 -6.540 14.185 1.00 0.00 N ATOM 0 H ARG A 499 -2.389 -6.216 7.990 1.00 0.00 H new ATOM 0 HA ARG A 499 -1.712 -9.002 8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -4.373 -7.519 8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -4.190 -9.219 8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -2.734 -8.584 10.486 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -3.032 -6.895 10.123 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -5.527 -7.389 10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -5.096 -8.984 10.917 1.00 0.00 H new ATOM 0 HE ARG A 499 -3.640 -7.332 12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -7.038 -7.474 11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -7.619 -6.802 13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -4.401 -6.472 14.528 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -6.134 -6.239 14.776 1.00 0.00 H new ATOM 831 N LEU A 500 -2.690 -7.873 5.383 1.00 0.00 N ATOM 832 CA LEU A 500 -2.983 -8.211 3.992 1.00 0.00 C ATOM 833 C LEU A 500 -2.262 -9.484 3.554 1.00 0.00 C ATOM 834 O LEU A 500 -2.742 -10.206 2.680 1.00 0.00 O ATOM 835 CB LEU A 500 -2.599 -7.051 3.071 1.00 0.00 C ATOM 836 CG LEU A 500 -2.939 -7.255 1.594 1.00 0.00 C ATOM 837 CD1 LEU A 500 -4.440 -7.147 1.374 1.00 0.00 C ATOM 838 CD2 LEU A 500 -2.197 -6.244 0.733 1.00 0.00 C ATOM 0 H LEU A 500 -2.461 -6.891 5.537 1.00 0.00 H new ATOM 0 HA LEU A 500 -4.055 -8.392 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -3.099 -6.148 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -1.527 -6.876 3.160 1.00 0.00 H new ATOM 0 HG LEU A 500 -2.620 -8.255 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -4.664 -7.295 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -4.950 -7.909 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -4.783 -6.160 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -2.450 -6.403 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -2.485 -5.235 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -1.123 -6.369 0.870 1.00 0.00 H new ATOM 850 N ASN A 501 -1.109 -9.750 4.164 1.00 0.00 N ATOM 851 CA ASN A 501 -0.314 -10.936 3.838 1.00 0.00 C ATOM 852 C ASN A 501 -0.232 -11.160 2.327 1.00 0.00 C ATOM 853 O ASN A 501 -0.510 -12.254 1.835 1.00 0.00 O ATOM 854 CB ASN A 501 -0.898 -12.175 4.525 1.00 0.00 C ATOM 855 CG ASN A 501 -2.347 -12.422 4.152 1.00 0.00 C ATOM 856 OD1 ASN A 501 -3.232 -12.348 5.139 1.00 0.00 O flip ATOM 857 ND2 ASN A 501 -2.666 -12.676 2.991 1.00 0.00 N flip ATOM 0 H ASN A 501 -0.702 -9.159 4.889 1.00 0.00 H new ATOM 0 HA ASN A 501 0.698 -10.767 4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 501 -0.304 -13.048 4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -0.820 -12.057 5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 501 -1.952 -12.723 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 501 -3.645 -12.840 2.755 1.00 0.00 H new ATOM 864 N PRO A 502 0.157 -10.120 1.569 1.00 0.00 N ATOM 865 CA PRO A 502 0.279 -10.205 0.112 1.00 0.00 C ATOM 866 C PRO A 502 1.552 -10.923 -0.321 1.00 0.00 C ATOM 867 O PRO A 502 2.586 -10.824 0.339 1.00 0.00 O ATOM 868 CB PRO A 502 0.324 -8.739 -0.312 1.00 0.00 C ATOM 869 CG PRO A 502 0.957 -8.039 0.840 1.00 0.00 C ATOM 870 CD PRO A 502 0.511 -8.779 2.073 1.00 0.00 C ATOM 0 HA PRO A 502 -0.534 -10.774 -0.339 1.00 0.00 H new ATOM 0 HB2 PRO A 502 0.905 -8.607 -1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.675 -8.352 -0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 502 2.043 -8.047 0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 502 0.648 -6.994 0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 502 1.304 -8.828 2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.341 -8.291 2.546 1.00 0.00 H new ATOM 878 N GLU A 503 1.471 -11.642 -1.436 1.00 0.00 N ATOM 879 CA GLU A 503 2.622 -12.371 -1.955 1.00 0.00 C ATOM 880 C GLU A 503 3.716 -11.406 -2.398 1.00 0.00 C ATOM 881 O GLU A 503 3.441 -10.396 -3.046 1.00 0.00 O ATOM 882 CB GLU A 503 2.203 -13.260 -3.128 1.00 0.00 C ATOM 883 CG GLU A 503 1.311 -14.423 -2.722 1.00 0.00 C ATOM 884 CD GLU A 503 -0.124 -13.999 -2.474 1.00 0.00 C ATOM 885 OE1 GLU A 503 -0.501 -12.892 -2.914 1.00 0.00 O ATOM 886 OE2 GLU A 503 -0.871 -14.774 -1.840 1.00 0.00 O ATOM 0 H GLU A 503 0.623 -11.735 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 503 3.016 -13.000 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 503 1.679 -12.651 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 503 3.097 -13.651 -3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 503 1.332 -15.182 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 503 1.711 -14.885 -1.819 1.00 0.00 H new ATOM 893 N ARG A 504 4.957 -11.721 -2.044 1.00 0.00 N ATOM 894 CA ARG A 504 6.091 -10.878 -2.405 1.00 0.00 C ATOM 895 C ARG A 504 6.680 -11.300 -3.746 1.00 0.00 C ATOM 896 O ARG A 504 6.935 -12.481 -3.980 1.00 0.00 O ATOM 897 CB ARG A 504 7.168 -10.937 -1.320 1.00 0.00 C ATOM 898 CG ARG A 504 7.532 -12.352 -0.898 1.00 0.00 C ATOM 899 CD ARG A 504 8.748 -12.365 0.014 1.00 0.00 C ATOM 900 NE ARG A 504 9.188 -13.724 0.322 1.00 0.00 N ATOM 901 CZ ARG A 504 10.398 -14.024 0.785 1.00 0.00 C ATOM 902 NH1 ARG A 504 11.292 -13.066 0.997 1.00 0.00 N ATOM 903 NH2 ARG A 504 10.716 -15.286 1.039 1.00 0.00 N ATOM 0 H ARG A 504 5.203 -12.553 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 504 5.732 -9.853 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 504 8.064 -10.433 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 504 6.822 -10.384 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 504 6.686 -12.809 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 504 7.733 -12.957 -1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 504 9.563 -11.819 -0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 504 8.512 -11.842 0.941 1.00 0.00 H new ATOM 0 HE ARG A 504 8.528 -14.487 0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 504 11.053 -12.093 0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 504 12.218 -13.303 1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 504 10.033 -16.026 0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 504 11.644 -15.517 1.394 1.00 0.00 H new ATOM 917 N LYS A 505 6.894 -10.326 -4.624 1.00 0.00 N ATOM 918 CA LYS A 505 7.454 -10.592 -5.944 1.00 0.00 C ATOM 919 C LYS A 505 8.578 -9.613 -6.265 1.00 0.00 C ATOM 920 O LYS A 505 8.431 -8.404 -6.085 1.00 0.00 O ATOM 921 CB LYS A 505 6.362 -10.501 -7.012 1.00 0.00 C ATOM 922 CG LYS A 505 6.831 -10.911 -8.398 1.00 0.00 C ATOM 923 CD LYS A 505 6.784 -12.421 -8.578 1.00 0.00 C ATOM 924 CE LYS A 505 5.483 -12.864 -9.227 1.00 0.00 C ATOM 925 NZ LYS A 505 5.478 -14.323 -9.523 1.00 0.00 N ATOM 0 H LYS A 505 6.688 -9.343 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 505 7.866 -11.601 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 505 5.525 -11.134 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 505 5.989 -9.478 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 505 6.204 -10.434 -9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.849 -10.556 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.626 -12.742 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.893 -12.908 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.649 -12.625 -8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.330 -12.306 -10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 4.574 -14.584 -9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 6.258 -14.548 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 5.598 -14.857 -8.639 1.00 0.00 H new ATOM 939 N MET A 506 9.701 -10.142 -6.741 1.00 0.00 N ATOM 940 CA MET A 506 10.849 -9.312 -7.087 1.00 0.00 C ATOM 941 C MET A 506 10.765 -8.841 -8.535 1.00 0.00 C ATOM 942 O MET A 506 10.989 -9.617 -9.464 1.00 0.00 O ATOM 943 CB MET A 506 12.149 -10.087 -6.864 1.00 0.00 C ATOM 944 CG MET A 506 12.404 -10.443 -5.408 1.00 0.00 C ATOM 945 SD MET A 506 14.022 -11.193 -5.150 1.00 0.00 S ATOM 946 CE MET A 506 15.093 -9.774 -5.373 1.00 0.00 C ATOM 0 H MET A 506 9.840 -11.141 -6.896 1.00 0.00 H new ATOM 0 HA MET A 506 10.840 -8.435 -6.439 1.00 0.00 H new ATOM 0 HB2 MET A 506 12.122 -11.003 -7.454 1.00 0.00 H new ATOM 0 HB3 MET A 506 12.984 -9.493 -7.236 1.00 0.00 H new ATOM 0 HG2 MET A 506 12.324 -9.543 -4.799 1.00 0.00 H new ATOM 0 HG3 MET A 506 11.630 -11.130 -5.065 1.00 0.00 H new ATOM 0 HE1 MET A 506 16.082 -9.998 -4.974 1.00 0.00 H new ATOM 0 HE2 MET A 506 15.174 -9.543 -6.435 1.00 0.00 H new ATOM 0 HE3 MET A 506 14.675 -8.916 -4.846 1.00 0.00 H new ATOM 956 N ILE A 507 10.442 -7.565 -8.719 1.00 0.00 N ATOM 957 CA ILE A 507 10.330 -6.990 -10.053 1.00 0.00 C ATOM 958 C ILE A 507 11.291 -5.817 -10.226 1.00 0.00 C ATOM 959 O ILE A 507 11.303 -4.888 -9.420 1.00 0.00 O ATOM 960 CB ILE A 507 8.893 -6.509 -10.340 1.00 0.00 C ATOM 961 CG1 ILE A 507 7.889 -7.619 -10.024 1.00 0.00 C ATOM 962 CG2 ILE A 507 8.762 -6.064 -11.789 1.00 0.00 C ATOM 963 CD1 ILE A 507 6.446 -7.178 -10.141 1.00 0.00 C ATOM 0 H ILE A 507 10.253 -6.910 -7.960 1.00 0.00 H new ATOM 0 HA ILE A 507 10.589 -7.778 -10.761 1.00 0.00 H new ATOM 0 HB ILE A 507 8.676 -5.655 -9.698 1.00 0.00 H new ATOM 0 HG12 ILE A 507 8.061 -8.457 -10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 507 8.069 -7.983 -9.013 1.00 0.00 H new ATOM 0 HG21 ILE A 507 7.742 -5.728 -11.975 1.00 0.00 H new ATOM 0 HG22 ILE A 507 9.455 -5.245 -11.982 1.00 0.00 H new ATOM 0 HG23 ILE A 507 8.995 -6.900 -12.449 1.00 0.00 H new ATOM 0 HD11 ILE A 507 5.789 -8.015 -9.903 1.00 0.00 H new ATOM 0 HD12 ILE A 507 6.258 -6.360 -9.445 1.00 0.00 H new ATOM 0 HD13 ILE A 507 6.250 -6.841 -11.159 1.00 0.00 H new ATOM 975 N ASN A 508 12.093 -5.867 -11.284 1.00 0.00 N ATOM 976 CA ASN A 508 13.057 -4.809 -11.564 1.00 0.00 C ATOM 977 C ASN A 508 14.028 -4.635 -10.400 1.00 0.00 C ATOM 978 O ASN A 508 14.385 -3.514 -10.038 1.00 0.00 O ATOM 979 CB ASN A 508 12.332 -3.491 -11.841 1.00 0.00 C ATOM 980 CG ASN A 508 11.301 -3.620 -12.944 1.00 0.00 C ATOM 981 OD1 ASN A 508 10.165 -3.167 -12.804 1.00 0.00 O ATOM 982 ND2 ASN A 508 11.692 -4.240 -14.051 1.00 0.00 N ATOM 0 H ASN A 508 12.095 -6.629 -11.962 1.00 0.00 H new ATOM 0 HA ASN A 508 13.627 -5.095 -12.448 1.00 0.00 H new ATOM 0 HB2 ASN A 508 11.843 -3.150 -10.929 1.00 0.00 H new ATOM 0 HB3 ASN A 508 13.061 -2.729 -12.116 1.00 0.00 H new ATOM 0 HD21 ASN A 508 11.041 -4.356 -14.828 1.00 0.00 H new ATOM 0 HD22 ASN A 508 12.643 -4.600 -14.125 1.00 0.00 H new ATOM 989 N ASP A 509 14.451 -5.752 -9.817 1.00 0.00 N ATOM 990 CA ASP A 509 15.380 -5.725 -8.693 1.00 0.00 C ATOM 991 C ASP A 509 14.803 -4.926 -7.528 1.00 0.00 C ATOM 992 O ASP A 509 15.522 -4.194 -6.847 1.00 0.00 O ATOM 993 CB ASP A 509 16.719 -5.124 -9.125 1.00 0.00 C ATOM 994 CG ASP A 509 17.423 -5.971 -10.168 1.00 0.00 C ATOM 995 OD1 ASP A 509 17.063 -7.158 -10.310 1.00 0.00 O ATOM 996 OD2 ASP A 509 18.334 -5.446 -10.842 1.00 0.00 O ATOM 0 H ASP A 509 14.165 -6.688 -10.105 1.00 0.00 H new ATOM 0 HA ASP A 509 15.540 -6.751 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.553 -4.124 -9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.364 -5.016 -8.253 1.00 0.00 H new ATOM 1001 N LYS A 510 13.501 -5.071 -7.305 1.00 0.00 N ATOM 1002 CA LYS A 510 12.827 -4.365 -6.223 1.00 0.00 C ATOM 1003 C LYS A 510 11.687 -5.205 -5.652 1.00 0.00 C ATOM 1004 O LYS A 510 11.118 -6.048 -6.344 1.00 0.00 O ATOM 1005 CB LYS A 510 12.287 -3.023 -6.720 1.00 0.00 C ATOM 1006 CG LYS A 510 11.794 -2.115 -5.604 1.00 0.00 C ATOM 1007 CD LYS A 510 11.225 -0.816 -6.153 1.00 0.00 C ATOM 1008 CE LYS A 510 10.866 0.150 -5.036 1.00 0.00 C ATOM 1009 NZ LYS A 510 12.076 0.721 -4.383 1.00 0.00 N ATOM 0 H LYS A 510 12.892 -5.672 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 510 13.554 -4.185 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 510 13.071 -2.509 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.469 -3.205 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 510 11.030 -2.632 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 510 12.616 -1.894 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.953 -0.351 -6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.338 -1.029 -6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 510 10.255 0.958 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 510 10.261 -0.366 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 11.795 1.495 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 12.557 -0.020 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 12.723 1.087 -5.110 1.00 0.00 H new ATOM 1023 N MET A 511 11.362 -4.968 -4.385 1.00 0.00 N ATOM 1024 CA MET A 511 10.291 -5.703 -3.723 1.00 0.00 C ATOM 1025 C MET A 511 8.924 -5.171 -4.142 1.00 0.00 C ATOM 1026 O MET A 511 8.642 -3.981 -4.006 1.00 0.00 O ATOM 1027 CB MET A 511 10.444 -5.608 -2.203 1.00 0.00 C ATOM 1028 CG MET A 511 11.696 -6.289 -1.673 1.00 0.00 C ATOM 1029 SD MET A 511 11.773 -6.294 0.128 1.00 0.00 S ATOM 1030 CE MET A 511 13.385 -7.030 0.395 1.00 0.00 C ATOM 0 H MET A 511 11.824 -4.274 -3.797 1.00 0.00 H new ATOM 0 HA MET A 511 10.361 -6.748 -4.025 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.462 -4.557 -1.913 1.00 0.00 H new ATOM 0 HB3 MET A 511 9.570 -6.055 -1.730 1.00 0.00 H new ATOM 0 HG2 MET A 511 11.728 -7.316 -2.037 1.00 0.00 H new ATOM 0 HG3 MET A 511 12.576 -5.782 -2.069 1.00 0.00 H new ATOM 0 HE1 MET A 511 13.580 -7.101 1.465 1.00 0.00 H new ATOM 0 HE2 MET A 511 13.407 -8.027 -0.045 1.00 0.00 H new ATOM 0 HE3 MET A 511 14.150 -6.410 -0.072 1.00 0.00 H new ATOM 1040 N HIS A 512 8.081 -6.061 -4.653 1.00 0.00 N ATOM 1041 CA HIS A 512 6.742 -5.684 -5.094 1.00 0.00 C ATOM 1042 C HIS A 512 5.686 -6.579 -4.455 1.00 0.00 C ATOM 1043 O HIS A 512 5.945 -7.744 -4.156 1.00 0.00 O ATOM 1044 CB HIS A 512 6.641 -5.765 -6.618 1.00 0.00 C ATOM 1045 CG HIS A 512 7.288 -4.615 -7.325 1.00 0.00 C ATOM 1046 ND1 HIS A 512 8.633 -4.575 -7.625 1.00 0.00 N ATOM 1047 CD2 HIS A 512 6.766 -3.457 -7.795 1.00 0.00 C ATOM 1048 CE1 HIS A 512 8.911 -3.444 -8.247 1.00 0.00 C ATOM 1049 NE2 HIS A 512 7.795 -2.748 -8.363 1.00 0.00 N ATOM 0 H HIS A 512 8.301 -7.050 -4.772 1.00 0.00 H new ATOM 0 HA HIS A 512 6.560 -4.656 -4.779 1.00 0.00 H new ATOM 0 HB2 HIS A 512 7.102 -6.693 -6.955 1.00 0.00 H new ATOM 0 HB3 HIS A 512 5.590 -5.810 -6.902 1.00 0.00 H new ATOM 0 HD1 HIS A 512 9.309 -5.306 -7.401 1.00 0.00 H new ATOM 0 HD2 HIS A 512 5.733 -3.149 -7.734 1.00 0.00 H new ATOM 0 HE1 HIS A 512 9.885 -3.140 -8.601 1.00 0.00 H new ATOM 1058 N PHE A 513 4.494 -6.027 -4.251 1.00 0.00 N ATOM 1059 CA PHE A 513 3.397 -6.777 -3.650 1.00 0.00 C ATOM 1060 C PHE A 513 2.341 -7.123 -4.693 1.00 0.00 C ATOM 1061 O PHE A 513 1.947 -6.279 -5.497 1.00 0.00 O ATOM 1062 CB PHE A 513 2.765 -5.973 -2.512 1.00 0.00 C ATOM 1063 CG PHE A 513 3.670 -5.795 -1.327 1.00 0.00 C ATOM 1064 CD1 PHE A 513 3.893 -6.842 -0.447 1.00 0.00 C ATOM 1065 CD2 PHE A 513 4.297 -4.582 -1.092 1.00 0.00 C ATOM 1066 CE1 PHE A 513 4.723 -6.682 0.646 1.00 0.00 C ATOM 1067 CE2 PHE A 513 5.129 -4.417 -0.001 1.00 0.00 C ATOM 1068 CZ PHE A 513 5.343 -5.467 0.869 1.00 0.00 C ATOM 0 H PHE A 513 4.263 -5.063 -4.493 1.00 0.00 H new ATOM 0 HA PHE A 513 3.801 -7.706 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 513 2.476 -4.992 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 513 1.851 -6.472 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 513 3.412 -7.794 -0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 513 4.134 -3.756 -1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 513 4.887 -7.505 1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.612 -3.466 0.171 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.993 -5.340 1.722 1.00 0.00 H new ATOM 1078 N SER A 514 1.885 -8.372 -4.675 1.00 0.00 N ATOM 1079 CA SER A 514 0.874 -8.830 -5.621 1.00 0.00 C ATOM 1080 C SER A 514 -0.018 -9.893 -4.990 1.00 0.00 C ATOM 1081 O SER A 514 0.452 -10.750 -4.242 1.00 0.00 O ATOM 1082 CB SER A 514 1.539 -9.387 -6.880 1.00 0.00 C ATOM 1083 OG SER A 514 0.571 -9.735 -7.856 1.00 0.00 O ATOM 0 H SER A 514 2.200 -9.084 -4.016 1.00 0.00 H new ATOM 0 HA SER A 514 0.254 -7.976 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.225 -8.646 -7.291 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.133 -10.264 -6.624 1.00 0.00 H new ATOM 0 HG SER A 514 1.021 -10.087 -8.652 1.00 0.00 H new ATOM 1089 N LEU A 515 -1.310 -9.832 -5.297 1.00 0.00 N ATOM 1090 CA LEU A 515 -2.269 -10.790 -4.760 1.00 0.00 C ATOM 1091 C LEU A 515 -2.896 -11.618 -5.878 1.00 0.00 C ATOM 1092 O LEU A 515 -3.239 -11.092 -6.936 1.00 0.00 O ATOM 1093 CB LEU A 515 -3.362 -10.063 -3.974 1.00 0.00 C ATOM 1094 CG LEU A 515 -3.024 -9.778 -2.511 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -3.867 -8.627 -1.984 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -3.232 -11.025 -1.665 1.00 0.00 C ATOM 0 H LEU A 515 -1.716 -9.129 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 515 -1.735 -11.463 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.579 -9.118 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -4.273 -10.660 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 515 -1.974 -9.491 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -3.613 -8.438 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.670 -7.732 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.923 -8.885 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -2.987 -10.805 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.273 -11.341 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -2.586 -11.824 -2.029 1.00 0.00 H new ATOM 1108 N LYS A 516 -3.045 -12.915 -5.633 1.00 0.00 N ATOM 1109 CA LYS A 516 -3.633 -13.815 -6.618 1.00 0.00 C ATOM 1110 C LYS A 516 -4.922 -14.434 -6.086 1.00 0.00 C ATOM 1111 O LYS A 516 -4.893 -15.446 -5.385 1.00 0.00 O ATOM 1112 CB LYS A 516 -2.640 -14.917 -6.991 1.00 0.00 C ATOM 1113 CG LYS A 516 -3.088 -15.767 -8.169 1.00 0.00 C ATOM 1114 CD LYS A 516 -2.935 -15.020 -9.484 1.00 0.00 C ATOM 1115 CE LYS A 516 -3.425 -15.853 -10.658 1.00 0.00 C ATOM 1116 NZ LYS A 516 -2.780 -15.443 -11.936 1.00 0.00 N ATOM 0 H LYS A 516 -2.767 -13.366 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 516 -3.870 -13.234 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -1.678 -14.463 -7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -2.485 -15.562 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -2.502 -16.685 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -4.130 -16.058 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 516 -3.495 -14.086 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -1.888 -14.757 -9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 516 -3.217 -16.906 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 516 -4.507 -15.752 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 -3.140 -16.034 -12.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 -2.999 -14.445 -12.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 -1.750 -15.563 -11.859 1.00 0.00 H new ATOM 1130 N GLU A 517 -6.050 -13.819 -6.423 1.00 0.00 N ATOM 1131 CA GLU A 517 -7.349 -14.309 -5.980 1.00 0.00 C ATOM 1132 C GLU A 517 -8.335 -14.364 -7.142 1.00 0.00 C ATOM 1133 O GLU A 517 -9.558 -14.371 -6.881 1.00 0.00 O ATOM 1134 CB GLU A 517 -7.903 -13.416 -4.868 1.00 0.00 C ATOM 1135 CG GLU A 517 -7.049 -13.411 -3.610 1.00 0.00 C ATOM 1136 CD GLU A 517 -6.928 -14.786 -2.983 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -7.754 -15.664 -3.310 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -6.005 -14.986 -2.166 1.00 0.00 O ATOM 1139 OXT GLU A 517 -7.879 -14.398 -8.304 1.00 0.00 O ATOM 0 H GLU A 517 -6.091 -12.980 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 517 -7.215 -15.319 -5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -7.990 -12.396 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -8.909 -13.749 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -6.054 -13.037 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -7.481 -12.722 -2.885 1.00 0.00 H new TER 1146 GLU A 517 ATOM 1147 N GLY B 941 15.566 15.455 -5.093 1.00 0.00 N ATOM 1148 CA GLY B 941 14.451 14.579 -4.639 1.00 0.00 C ATOM 1149 C GLY B 941 13.330 15.360 -3.981 1.00 0.00 C ATOM 1150 O GLY B 941 12.256 15.522 -4.558 1.00 0.00 O ATOM 0 HA2 GLY B 941 14.054 14.030 -5.493 1.00 0.00 H new ATOM 0 HA3 GLY B 941 14.836 13.841 -3.936 1.00 0.00 H new ATOM 1154 N SER B 942 13.583 15.847 -2.770 1.00 0.00 N ATOM 1155 CA SER B 942 12.586 16.616 -2.032 1.00 0.00 C ATOM 1156 C SER B 942 11.318 15.797 -1.812 1.00 0.00 C ATOM 1157 O SER B 942 10.318 15.984 -2.505 1.00 0.00 O ATOM 1158 CB SER B 942 12.251 17.907 -2.782 1.00 0.00 C ATOM 1159 OG SER B 942 13.177 18.933 -2.470 1.00 0.00 O ATOM 0 H SER B 942 14.469 15.723 -2.279 1.00 0.00 H new ATOM 0 HA SER B 942 13.006 16.868 -1.058 1.00 0.00 H new ATOM 0 HB2 SER B 942 12.259 17.720 -3.856 1.00 0.00 H new ATOM 0 HB3 SER B 942 11.243 18.231 -2.522 1.00 0.00 H new ATOM 0 HG SER B 942 12.942 19.747 -2.963 1.00 0.00 H new ATOM 1165 N SER B 943 11.368 14.887 -0.845 1.00 0.00 N ATOM 1166 CA SER B 943 10.224 14.039 -0.533 1.00 0.00 C ATOM 1167 C SER B 943 10.500 13.184 0.699 1.00 0.00 C ATOM 1168 O SER B 943 10.087 12.027 0.770 1.00 0.00 O ATOM 1169 CB SER B 943 9.888 13.141 -1.726 1.00 0.00 C ATOM 1170 OG SER B 943 8.981 13.781 -2.607 1.00 0.00 O ATOM 0 H SER B 943 12.189 14.718 -0.264 1.00 0.00 H new ATOM 0 HA SER B 943 9.372 14.685 -0.321 1.00 0.00 H new ATOM 0 HB2 SER B 943 10.802 12.886 -2.262 1.00 0.00 H new ATOM 0 HB3 SER B 943 9.456 12.206 -1.371 1.00 0.00 H new ATOM 0 HG SER B 943 9.276 14.702 -2.768 1.00 0.00 H new ATOM 1176 N SER B 944 11.203 13.762 1.668 1.00 0.00 N ATOM 1177 CA SER B 944 11.536 13.054 2.898 1.00 0.00 C ATOM 1178 C SER B 944 10.275 12.605 3.629 1.00 0.00 C ATOM 1179 O SER B 944 10.235 11.518 4.206 1.00 0.00 O ATOM 1180 CB SER B 944 12.378 13.946 3.812 1.00 0.00 C ATOM 1181 OG SER B 944 13.532 14.421 3.141 1.00 0.00 O ATOM 0 H SER B 944 11.553 14.719 1.625 1.00 0.00 H new ATOM 0 HA SER B 944 12.113 12.169 2.632 1.00 0.00 H new ATOM 0 HB2 SER B 944 11.779 14.790 4.153 1.00 0.00 H new ATOM 0 HB3 SER B 944 12.674 13.386 4.699 1.00 0.00 H new ATOM 0 HG SER B 944 14.052 14.990 3.747 1.00 0.00 H new ATOM 1187 N GLU B 945 9.248 13.447 3.601 1.00 0.00 N ATOM 1188 CA GLU B 945 7.986 13.136 4.261 1.00 0.00 C ATOM 1189 C GLU B 945 7.367 11.866 3.685 1.00 0.00 C ATOM 1190 O GLU B 945 6.750 11.082 4.406 1.00 0.00 O ATOM 1191 CB GLU B 945 7.007 14.303 4.115 1.00 0.00 C ATOM 1192 CG GLU B 945 5.703 14.102 4.869 1.00 0.00 C ATOM 1193 CD GLU B 945 4.704 15.212 4.609 1.00 0.00 C ATOM 1194 OE1 GLU B 945 4.985 16.367 4.992 1.00 0.00 O ATOM 1195 OE2 GLU B 945 3.638 14.926 4.023 1.00 0.00 O ATOM 0 H GLU B 945 9.265 14.351 3.128 1.00 0.00 H new ATOM 0 HA GLU B 945 8.191 12.972 5.319 1.00 0.00 H new ATOM 0 HB2 GLU B 945 7.486 15.215 4.471 1.00 0.00 H new ATOM 0 HB3 GLU B 945 6.786 14.451 3.058 1.00 0.00 H new ATOM 0 HG2 GLU B 945 5.264 13.147 4.580 1.00 0.00 H new ATOM 0 HG3 GLU B 945 5.910 14.047 5.938 1.00 0.00 H new ATOM 1202 N ALA B 946 7.538 11.669 2.382 1.00 0.00 N ATOM 1203 CA ALA B 946 6.996 10.495 1.708 1.00 0.00 C ATOM 1204 C ALA B 946 7.675 9.218 2.192 1.00 0.00 C ATOM 1205 O ALA B 946 7.075 8.143 2.178 1.00 0.00 O ATOM 1206 CB ALA B 946 7.148 10.637 0.201 1.00 0.00 C ATOM 0 H ALA B 946 8.048 12.308 1.772 1.00 0.00 H new ATOM 0 HA ALA B 946 5.936 10.424 1.952 1.00 0.00 H new ATOM 0 HB1 ALA B 946 6.740 9.754 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA B 946 6.610 11.522 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA B 946 8.204 10.736 -0.050 1.00 0.00 H new ATOM 1212 N ASP B 947 8.929 9.340 2.616 1.00 0.00 N ATOM 1213 CA ASP B 947 9.688 8.193 3.101 1.00 0.00 C ATOM 1214 C ASP B 947 8.981 7.527 4.277 1.00 0.00 C ATOM 1215 O ASP B 947 8.899 6.301 4.350 1.00 0.00 O ATOM 1216 CB ASP B 947 11.095 8.624 3.515 1.00 0.00 C ATOM 1217 CG ASP B 947 11.922 9.112 2.341 1.00 0.00 C ATOM 1218 OD1 ASP B 947 11.538 8.830 1.187 1.00 0.00 O ATOM 1219 OD2 ASP B 947 12.953 9.776 2.576 1.00 0.00 O ATOM 0 H ASP B 947 9.441 10.222 2.633 1.00 0.00 H new ATOM 0 HA ASP B 947 9.761 7.470 2.289 1.00 0.00 H new ATOM 0 HB2 ASP B 947 11.024 9.417 4.260 1.00 0.00 H new ATOM 0 HB3 ASP B 947 11.604 7.785 3.990 1.00 0.00 H new ATOM 1224 N GLU B 948 8.470 8.341 5.194 1.00 0.00 N ATOM 1225 CA GLU B 948 7.771 7.827 6.367 1.00 0.00 C ATOM 1226 C GLU B 948 6.452 7.171 5.969 1.00 0.00 C ATOM 1227 O GLU B 948 6.048 6.165 6.552 1.00 0.00 O ATOM 1228 CB GLU B 948 7.511 8.955 7.368 1.00 0.00 C ATOM 1229 CG GLU B 948 8.774 9.490 8.022 1.00 0.00 C ATOM 1230 CD GLU B 948 9.501 10.496 7.151 1.00 0.00 C ATOM 1231 OE1 GLU B 948 8.867 11.050 6.229 1.00 0.00 O ATOM 1232 OE2 GLU B 948 10.704 10.729 7.391 1.00 0.00 O ATOM 0 H GLU B 948 8.526 9.358 5.148 1.00 0.00 H new ATOM 0 HA GLU B 948 8.405 7.074 6.836 1.00 0.00 H new ATOM 0 HB2 GLU B 948 7.002 9.772 6.858 1.00 0.00 H new ATOM 0 HB3 GLU B 948 6.836 8.593 8.143 1.00 0.00 H new ATOM 0 HG2 GLU B 948 8.516 9.957 8.973 1.00 0.00 H new ATOM 0 HG3 GLU B 948 9.443 8.659 8.246 1.00 0.00 H new ATOM 1239 N MET B 949 5.785 7.748 4.975 1.00 0.00 N ATOM 1240 CA MET B 949 4.511 7.219 4.500 1.00 0.00 C ATOM 1241 C MET B 949 4.677 5.801 3.963 1.00 0.00 C ATOM 1242 O MET B 949 3.851 4.927 4.225 1.00 0.00 O ATOM 1243 CB MET B 949 3.934 8.125 3.411 1.00 0.00 C ATOM 1244 CG MET B 949 3.584 9.521 3.902 1.00 0.00 C ATOM 1245 SD MET B 949 2.892 10.561 2.602 1.00 0.00 S ATOM 1246 CE MET B 949 1.227 9.910 2.495 1.00 0.00 C ATOM 0 H MET B 949 6.105 8.582 4.483 1.00 0.00 H new ATOM 0 HA MET B 949 3.821 7.190 5.343 1.00 0.00 H new ATOM 0 HB2 MET B 949 4.655 8.205 2.597 1.00 0.00 H new ATOM 0 HB3 MET B 949 3.039 7.659 2.999 1.00 0.00 H new ATOM 0 HG2 MET B 949 2.868 9.445 4.721 1.00 0.00 H new ATOM 0 HG3 MET B 949 4.479 9.996 4.304 1.00 0.00 H new ATOM 0 HE1 MET B 949 0.599 10.606 1.939 1.00 0.00 H new ATOM 0 HE2 MET B 949 1.245 8.948 1.982 1.00 0.00 H new ATOM 0 HE3 MET B 949 0.822 9.779 3.499 1.00 0.00 H new ATOM 1256 N ALA B 950 5.750 5.580 3.209 1.00 0.00 N ATOM 1257 CA ALA B 950 6.023 4.269 2.633 1.00 0.00 C ATOM 1258 C ALA B 950 6.786 3.383 3.612 1.00 0.00 C ATOM 1259 O ALA B 950 6.441 2.218 3.808 1.00 0.00 O ATOM 1260 CB ALA B 950 6.803 4.417 1.337 1.00 0.00 C ATOM 0 H ALA B 950 6.444 6.292 2.983 1.00 0.00 H new ATOM 0 HA ALA B 950 5.068 3.789 2.420 1.00 0.00 H new ATOM 0 HB1 ALA B 950 7.001 3.431 0.917 1.00 0.00 H new ATOM 0 HB2 ALA B 950 6.221 5.004 0.627 1.00 0.00 H new ATOM 0 HB3 ALA B 950 7.748 4.922 1.537 1.00 0.00 H new ATOM 1266 N LYS B 951 7.826 3.941 4.223 1.00 0.00 N ATOM 1267 CA LYS B 951 8.641 3.200 5.180 1.00 0.00 C ATOM 1268 C LYS B 951 7.792 2.677 6.335 1.00 0.00 C ATOM 1269 O LYS B 951 7.899 1.513 6.719 1.00 0.00 O ATOM 1270 CB LYS B 951 9.764 4.087 5.719 1.00 0.00 C ATOM 1271 CG LYS B 951 10.741 3.349 6.621 1.00 0.00 C ATOM 1272 CD LYS B 951 11.793 4.289 7.189 1.00 0.00 C ATOM 1273 CE LYS B 951 12.854 3.530 7.969 1.00 0.00 C ATOM 1274 NZ LYS B 951 13.830 4.449 8.616 1.00 0.00 N ATOM 0 H LYS B 951 8.125 4.905 4.073 1.00 0.00 H new ATOM 0 HA LYS B 951 9.077 2.347 4.661 1.00 0.00 H new ATOM 0 HB2 LYS B 951 10.311 4.517 4.880 1.00 0.00 H new ATOM 0 HB3 LYS B 951 9.326 4.917 6.273 1.00 0.00 H new ATOM 0 HG2 LYS B 951 10.197 2.874 7.437 1.00 0.00 H new ATOM 0 HG3 LYS B 951 11.228 2.553 6.058 1.00 0.00 H new ATOM 0 HD2 LYS B 951 12.264 4.844 6.377 1.00 0.00 H new ATOM 0 HD3 LYS B 951 11.315 5.021 7.840 1.00 0.00 H new ATOM 0 HE2 LYS B 951 12.374 2.915 8.730 1.00 0.00 H new ATOM 0 HE3 LYS B 951 13.383 2.852 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 14.537 3.893 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 14.306 5.018 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 13.330 5.079 9.275 1.00 0.00 H new ATOM 1288 N ALA B 952 6.949 3.546 6.884 1.00 0.00 N ATOM 1289 CA ALA B 952 6.084 3.169 7.996 1.00 0.00 C ATOM 1290 C ALA B 952 5.063 2.122 7.567 1.00 0.00 C ATOM 1291 O ALA B 952 4.785 1.173 8.301 1.00 0.00 O ATOM 1292 CB ALA B 952 5.380 4.396 8.553 1.00 0.00 C ATOM 0 H ALA B 952 6.847 4.514 6.578 1.00 0.00 H new ATOM 0 HA ALA B 952 6.706 2.733 8.777 1.00 0.00 H new ATOM 0 HB1 ALA B 952 4.737 4.101 9.383 1.00 0.00 H new ATOM 0 HB2 ALA B 952 6.122 5.113 8.905 1.00 0.00 H new ATOM 0 HB3 ALA B 952 4.775 4.855 7.771 1.00 0.00 H new ATOM 1298 N LEU B 953 4.506 2.300 6.373 1.00 0.00 N ATOM 1299 CA LEU B 953 3.514 1.370 5.845 1.00 0.00 C ATOM 1300 C LEU B 953 4.149 0.024 5.512 1.00 0.00 C ATOM 1301 O LEU B 953 3.617 -1.029 5.865 1.00 0.00 O ATOM 1302 CB LEU B 953 2.851 1.957 4.598 1.00 0.00 C ATOM 1303 CG LEU B 953 1.728 1.108 3.999 1.00 0.00 C ATOM 1304 CD1 LEU B 953 0.783 1.973 3.182 1.00 0.00 C ATOM 1305 CD2 LEU B 953 2.306 -0.011 3.144 1.00 0.00 C ATOM 0 H LEU B 953 4.725 3.080 5.753 1.00 0.00 H new ATOM 0 HA LEU B 953 2.756 1.211 6.613 1.00 0.00 H new ATOM 0 HB2 LEU B 953 2.449 2.939 4.847 1.00 0.00 H new ATOM 0 HB3 LEU B 953 3.616 2.109 3.836 1.00 0.00 H new ATOM 0 HG LEU B 953 1.161 0.660 4.815 1.00 0.00 H new ATOM 0 HD11 LEU B 953 -0.009 1.352 2.764 1.00 0.00 H new ATOM 0 HD12 LEU B 953 0.344 2.738 3.823 1.00 0.00 H new ATOM 0 HD13 LEU B 953 1.335 2.451 2.372 1.00 0.00 H new ATOM 0 HD21 LEU B 953 1.494 -0.606 2.725 1.00 0.00 H new ATOM 0 HD22 LEU B 953 2.897 0.418 2.334 1.00 0.00 H new ATOM 0 HD23 LEU B 953 2.942 -0.648 3.759 1.00 0.00 H new ATOM 1317 N GLU B 954 5.286 0.065 4.826 1.00 0.00 N ATOM 1318 CA GLU B 954 5.993 -1.151 4.441 1.00 0.00 C ATOM 1319 C GLU B 954 6.642 -1.817 5.650 1.00 0.00 C ATOM 1320 O GLU B 954 6.743 -3.040 5.716 1.00 0.00 O ATOM 1321 CB GLU B 954 7.056 -0.835 3.387 1.00 0.00 C ATOM 1322 CG GLU B 954 7.761 -2.067 2.845 1.00 0.00 C ATOM 1323 CD GLU B 954 8.874 -1.726 1.872 1.00 0.00 C ATOM 1324 OE1 GLU B 954 9.129 -0.521 1.659 1.00 0.00 O ATOM 1325 OE2 GLU B 954 9.491 -2.663 1.324 1.00 0.00 O ATOM 0 H GLU B 954 5.738 0.928 4.525 1.00 0.00 H new ATOM 0 HA GLU B 954 5.264 -1.843 4.019 1.00 0.00 H new ATOM 0 HB2 GLU B 954 6.588 -0.301 2.560 1.00 0.00 H new ATOM 0 HB3 GLU B 954 7.797 -0.164 3.821 1.00 0.00 H new ATOM 0 HG2 GLU B 954 8.173 -2.639 3.676 1.00 0.00 H new ATOM 0 HG3 GLU B 954 7.033 -2.707 2.347 1.00 0.00 H new ATOM 1332 N ALA B 955 7.084 -1.003 6.603 1.00 0.00 N ATOM 1333 CA ALA B 955 7.730 -1.514 7.808 1.00 0.00 C ATOM 1334 C ALA B 955 6.813 -2.465 8.572 1.00 0.00 C ATOM 1335 O ALA B 955 7.281 -3.354 9.283 1.00 0.00 O ATOM 1336 CB ALA B 955 8.158 -0.361 8.703 1.00 0.00 C ATOM 0 H ALA B 955 7.007 0.013 6.565 1.00 0.00 H new ATOM 0 HA ALA B 955 8.613 -2.076 7.503 1.00 0.00 H new ATOM 0 HB1 ALA B 955 8.639 -0.755 9.599 1.00 0.00 H new ATOM 0 HB2 ALA B 955 8.860 0.276 8.165 1.00 0.00 H new ATOM 0 HB3 ALA B 955 7.283 0.223 8.988 1.00 0.00 H new ATOM 1342 N GLU B 956 5.507 -2.271 8.427 1.00 0.00 N ATOM 1343 CA GLU B 956 4.531 -3.112 9.112 1.00 0.00 C ATOM 1344 C GLU B 956 4.235 -4.381 8.315 1.00 0.00 C ATOM 1345 O GLU B 956 4.266 -5.486 8.858 1.00 0.00 O ATOM 1346 CB GLU B 956 3.237 -2.333 9.350 1.00 0.00 C ATOM 1347 CG GLU B 956 3.402 -1.151 10.292 1.00 0.00 C ATOM 1348 CD GLU B 956 2.083 -0.477 10.624 1.00 0.00 C ATOM 1349 OE1 GLU B 956 1.045 -0.894 10.069 1.00 0.00 O ATOM 1350 OE2 GLU B 956 2.090 0.468 11.440 1.00 0.00 O ATOM 0 H GLU B 956 5.100 -1.541 7.843 1.00 0.00 H new ATOM 0 HA GLU B 956 4.957 -3.405 10.071 1.00 0.00 H new ATOM 0 HB2 GLU B 956 2.858 -1.974 8.393 1.00 0.00 H new ATOM 0 HB3 GLU B 956 2.485 -3.009 9.757 1.00 0.00 H new ATOM 0 HG2 GLU B 956 3.874 -1.490 11.214 1.00 0.00 H new ATOM 0 HG3 GLU B 956 4.074 -0.422 9.839 1.00 0.00 H new ATOM 1357 N LEU B 957 3.938 -4.214 7.030 1.00 0.00 N ATOM 1358 CA LEU B 957 3.622 -5.345 6.163 1.00 0.00 C ATOM 1359 C LEU B 957 4.862 -6.181 5.853 1.00 0.00 C ATOM 1360 O LEU B 957 4.788 -7.407 5.772 1.00 0.00 O ATOM 1361 CB LEU B 957 2.984 -4.849 4.862 1.00 0.00 C ATOM 1362 CG LEU B 957 2.688 -5.933 3.821 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.884 -7.070 4.436 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.947 -5.338 2.632 1.00 0.00 C ATOM 0 H LEU B 957 3.909 -3.306 6.566 1.00 0.00 H new ATOM 0 HA LEU B 957 2.914 -5.983 6.693 1.00 0.00 H new ATOM 0 HB2 LEU B 957 2.052 -4.339 5.106 1.00 0.00 H new ATOM 0 HB3 LEU B 957 3.645 -4.108 4.412 1.00 0.00 H new ATOM 0 HG LEU B 957 3.637 -6.339 3.472 1.00 0.00 H new ATOM 0 HD11 LEU B 957 1.686 -7.827 3.678 1.00 0.00 H new ATOM 0 HD12 LEU B 957 2.450 -7.515 5.254 1.00 0.00 H new ATOM 0 HD13 LEU B 957 0.939 -6.683 4.817 1.00 0.00 H new ATOM 0 HD21 LEU B 957 1.744 -6.121 1.901 1.00 0.00 H new ATOM 0 HD22 LEU B 957 1.006 -4.904 2.970 1.00 0.00 H new ATOM 0 HD23 LEU B 957 2.560 -4.563 2.172 1.00 0.00 H new ATOM 1376 N ASN B 958 6.000 -5.517 5.673 1.00 0.00 N ATOM 1377 CA ASN B 958 7.246 -6.212 5.366 1.00 0.00 C ATOM 1378 C ASN B 958 7.595 -7.233 6.449 1.00 0.00 C ATOM 1379 O ASN B 958 8.351 -8.174 6.205 1.00 0.00 O ATOM 1380 CB ASN B 958 8.392 -5.208 5.190 1.00 0.00 C ATOM 1381 CG ASN B 958 8.846 -4.591 6.500 1.00 0.00 C ATOM 1382 OD1 ASN B 958 8.219 -4.785 7.540 1.00 0.00 O ATOM 1383 ND2 ASN B 958 9.942 -3.843 6.453 1.00 0.00 N ATOM 0 H ASN B 958 6.085 -4.502 5.734 1.00 0.00 H new ATOM 0 HA ASN B 958 7.104 -6.751 4.429 1.00 0.00 H new ATOM 0 HB2 ASN B 958 9.237 -5.709 4.718 1.00 0.00 H new ATOM 0 HB3 ASN B 958 8.073 -4.416 4.513 1.00 0.00 H new ATOM 0 HD21 ASN B 958 10.295 -3.402 7.302 1.00 0.00 H new ATOM 0 HD22 ASN B 958 10.431 -3.709 5.568 1.00 0.00 H new ATOM 1390 N ASP B 959 7.043 -7.044 7.644 1.00 0.00 N ATOM 1391 CA ASP B 959 7.300 -7.950 8.757 1.00 0.00 C ATOM 1392 C ASP B 959 6.479 -9.228 8.620 1.00 0.00 C ATOM 1393 O ASP B 959 7.023 -10.332 8.630 1.00 0.00 O ATOM 1394 CB ASP B 959 6.980 -7.264 10.086 1.00 0.00 C ATOM 1395 CG ASP B 959 7.440 -8.075 11.282 1.00 0.00 C ATOM 1396 OD1 ASP B 959 8.244 -9.012 11.091 1.00 0.00 O ATOM 1397 OD2 ASP B 959 6.995 -7.774 12.410 1.00 0.00 O ATOM 0 H ASP B 959 6.415 -6.271 7.866 1.00 0.00 H new ATOM 0 HA ASP B 959 8.357 -8.215 8.739 1.00 0.00 H new ATOM 0 HB2 ASP B 959 7.457 -6.284 10.110 1.00 0.00 H new ATOM 0 HB3 ASP B 959 5.905 -7.097 10.156 1.00 0.00 H new ATOM 1402 N LEU B 960 5.165 -9.070 8.495 1.00 0.00 N ATOM 1403 CA LEU B 960 4.266 -10.210 8.358 1.00 0.00 C ATOM 1404 C LEU B 960 4.560 -10.979 7.070 1.00 0.00 C ATOM 1405 O LEU B 960 4.424 -12.201 7.022 1.00 0.00 O ATOM 1406 CB LEU B 960 2.805 -9.734 8.392 1.00 0.00 C ATOM 1407 CG LEU B 960 1.853 -10.415 7.402 1.00 0.00 C ATOM 1408 CD1 LEU B 960 0.424 -10.378 7.921 1.00 0.00 C ATOM 1409 CD2 LEU B 960 1.946 -9.751 6.035 1.00 0.00 C ATOM 0 H LEU B 960 4.699 -8.163 8.486 1.00 0.00 H new ATOM 0 HA LEU B 960 4.429 -10.888 9.195 1.00 0.00 H new ATOM 0 HB2 LEU B 960 2.418 -9.885 9.400 1.00 0.00 H new ATOM 0 HB3 LEU B 960 2.789 -8.661 8.201 1.00 0.00 H new ATOM 0 HG LEU B 960 2.150 -11.459 7.299 1.00 0.00 H new ATOM 0 HD11 LEU B 960 -0.236 -10.866 7.204 1.00 0.00 H new ATOM 0 HD12 LEU B 960 0.370 -10.899 8.877 1.00 0.00 H new ATOM 0 HD13 LEU B 960 0.112 -9.342 8.054 1.00 0.00 H new ATOM 0 HD21 LEU B 960 1.264 -10.246 5.343 1.00 0.00 H new ATOM 0 HD22 LEU B 960 1.674 -8.699 6.122 1.00 0.00 H new ATOM 0 HD23 LEU B 960 2.966 -9.832 5.660 1.00 0.00 H new ATOM 1421 N MET B 961 4.964 -10.256 6.031 1.00 0.00 N ATOM 1422 CA MET B 961 5.277 -10.874 4.747 1.00 0.00 C ATOM 1423 C MET B 961 6.749 -11.266 4.675 1.00 0.00 C ATOM 1424 O MET B 961 7.432 -11.190 5.718 1.00 0.00 O ATOM 1425 CB MET B 961 4.932 -9.922 3.599 1.00 0.00 C ATOM 1426 CG MET B 961 5.799 -8.672 3.562 1.00 0.00 C ATOM 1427 SD MET B 961 7.063 -8.741 2.277 1.00 0.00 S ATOM 1428 CE MET B 961 8.528 -9.053 3.259 1.00 0.00 C ATOM 1429 OXT MET B 961 7.206 -11.648 3.578 1.00 0.00 O ATOM 0 H MET B 961 5.082 -9.243 6.052 1.00 0.00 H new ATOM 0 HA MET B 961 4.675 -11.778 4.652 1.00 0.00 H new ATOM 0 HB2 MET B 961 5.036 -10.454 2.653 1.00 0.00 H new ATOM 0 HB3 MET B 961 3.886 -9.626 3.685 1.00 0.00 H new ATOM 0 HG2 MET B 961 5.166 -7.800 3.397 1.00 0.00 H new ATOM 0 HG3 MET B 961 6.279 -8.539 4.532 1.00 0.00 H new ATOM 0 HE1 MET B 961 9.146 -8.156 3.285 1.00 0.00 H new ATOM 0 HE2 MET B 961 8.235 -9.321 4.274 1.00 0.00 H new ATOM 0 HE3 MET B 961 9.095 -9.872 2.816 1.00 0.00 H new TER 1439 MET B 961