USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 332 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 Single : A 422 THR OG1 : rot 180:sc= 0.0714 USER MOD Single : A 423 LYS NZ :NH3+ 164:sc= -0.0436 (180deg=-0.294) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ -164:sc= -0.0146 (180deg=-0.21) USER MOD Single : A 427 SER OG : rot 26:sc= 0.628 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 434 THR OG1 : rot -115:sc= -2.3! USER MOD Single : A 435 GLN : amide:sc= -0.556 K(o=-0.56,f=-2.7!) USER MOD Single : A 436 THR OG1 : rot 96:sc= 0.953 USER MOD Single : A 441 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ -143:sc= 2.11 (180deg=0.854) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 LYS NZ :NH3+ 160:sc= 1.28 (180deg=0.618) USER MOD Single : A 452 LYS NZ :NH3+ 166:sc= -0.0518 (180deg=-0.342) USER MOD Single : A 455 LYS NZ :NH3+ -174:sc=-0.00496 (180deg=-0.0567) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.978) USER MOD Single : A 465 THR OG1 : rot 1:sc= 0.378 USER MOD Single : A 467 LYS NZ :NH3+ 161:sc= -0.0544 (180deg=-0.349) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 13.876 -3.105 -17.885 1.00 0.00 N ATOM 2 CA GLY A 421 13.174 -2.548 -19.066 1.00 0.00 C ATOM 3 C GLY A 421 11.725 -2.232 -18.765 1.00 0.00 C ATOM 4 O GLY A 421 11.406 -1.717 -17.694 1.00 0.00 O ATOM 0 HA2 GLY A 421 13.682 -1.642 -19.396 1.00 0.00 H new ATOM 0 HA3 GLY A 421 13.227 -3.261 -19.889 1.00 0.00 H new ATOM 10 N THR A 422 10.842 -2.553 -19.698 1.00 0.00 N ATOM 11 CA THR A 422 9.419 -2.314 -19.515 1.00 0.00 C ATOM 12 C THR A 422 8.743 -3.489 -18.805 1.00 0.00 C ATOM 13 O THR A 422 9.343 -4.129 -17.939 1.00 0.00 O ATOM 14 CB THR A 422 8.742 -2.049 -20.869 1.00 0.00 C ATOM 15 OG1 THR A 422 9.391 -2.816 -21.891 1.00 0.00 O ATOM 16 CG2 THR A 422 8.793 -0.571 -21.222 1.00 0.00 C ATOM 0 H THR A 422 11.087 -2.981 -20.591 1.00 0.00 H new ATOM 0 HA THR A 422 9.307 -1.432 -18.885 1.00 0.00 H new ATOM 0 HB THR A 422 7.696 -2.347 -20.797 1.00 0.00 H new ATOM 0 HG1 THR A 422 8.956 -2.647 -22.753 1.00 0.00 H new ATOM 0 HG21 THR A 422 8.307 -0.410 -22.184 1.00 0.00 H new ATOM 0 HG22 THR A 422 8.276 0.005 -20.454 1.00 0.00 H new ATOM 0 HG23 THR A 422 9.832 -0.247 -21.281 1.00 0.00 H new ATOM 24 N LYS A 423 7.493 -3.767 -19.168 1.00 0.00 N ATOM 25 CA LYS A 423 6.732 -4.842 -18.540 1.00 0.00 C ATOM 26 C LYS A 423 7.285 -6.208 -18.931 1.00 0.00 C ATOM 27 O LYS A 423 7.254 -7.149 -18.139 1.00 0.00 O ATOM 28 CB LYS A 423 5.249 -4.739 -18.911 1.00 0.00 C ATOM 29 CG LYS A 423 4.970 -4.909 -20.396 1.00 0.00 C ATOM 30 CD LYS A 423 3.488 -4.794 -20.700 1.00 0.00 C ATOM 31 CE LYS A 423 3.190 -5.119 -22.154 1.00 0.00 C ATOM 32 NZ LYS A 423 3.510 -6.531 -22.487 1.00 0.00 N ATOM 0 H LYS A 423 6.986 -3.262 -19.895 1.00 0.00 H new ATOM 0 HA LYS A 423 6.829 -4.735 -17.460 1.00 0.00 H new ATOM 0 HB2 LYS A 423 4.693 -5.496 -18.358 1.00 0.00 H new ATOM 0 HB3 LYS A 423 4.871 -3.768 -18.589 1.00 0.00 H new ATOM 0 HG2 LYS A 423 5.518 -4.153 -20.959 1.00 0.00 H new ATOM 0 HG3 LYS A 423 5.336 -5.881 -20.727 1.00 0.00 H new ATOM 0 HD2 LYS A 423 2.929 -5.471 -20.053 1.00 0.00 H new ATOM 0 HD3 LYS A 423 3.147 -3.784 -20.475 1.00 0.00 H new ATOM 0 HE2 LYS A 423 2.137 -4.928 -22.359 1.00 0.00 H new ATOM 0 HE3 LYS A 423 3.766 -4.455 -22.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 3.052 -6.788 -23.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 4.540 -6.641 -22.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 3.162 -7.154 -21.730 1.00 0.00 H new ATOM 46 N ALA A 424 7.780 -6.314 -20.158 1.00 0.00 N ATOM 47 CA ALA A 424 8.311 -7.571 -20.658 1.00 0.00 C ATOM 48 C ALA A 424 9.441 -7.333 -21.643 1.00 0.00 C ATOM 49 O ALA A 424 9.270 -6.631 -22.640 1.00 0.00 O ATOM 50 CB ALA A 424 7.206 -8.384 -21.319 1.00 0.00 C ATOM 0 H ALA A 424 7.824 -5.543 -20.824 1.00 0.00 H new ATOM 0 HA ALA A 424 8.708 -8.130 -19.811 1.00 0.00 H new ATOM 0 HB1 ALA A 424 7.617 -9.323 -21.689 1.00 0.00 H new ATOM 0 HB2 ALA A 424 6.423 -8.593 -20.591 1.00 0.00 H new ATOM 0 HB3 ALA A 424 6.786 -7.819 -22.151 1.00 0.00 H new ATOM 56 N SER A 425 10.572 -7.971 -21.392 1.00 0.00 N ATOM 57 CA SER A 425 11.713 -7.883 -22.286 1.00 0.00 C ATOM 58 C SER A 425 11.694 -9.039 -23.286 1.00 0.00 C ATOM 59 O SER A 425 12.731 -9.640 -23.572 1.00 0.00 O ATOM 60 CB SER A 425 13.012 -7.895 -21.477 1.00 0.00 C ATOM 61 OG SER A 425 13.007 -6.877 -20.484 1.00 0.00 O ATOM 0 H SER A 425 10.724 -8.558 -20.572 1.00 0.00 H new ATOM 0 HA SER A 425 11.655 -6.947 -22.842 1.00 0.00 H new ATOM 0 HB2 SER A 425 13.140 -8.868 -21.003 1.00 0.00 H new ATOM 0 HB3 SER A 425 13.861 -7.751 -22.145 1.00 0.00 H new ATOM 0 HG SER A 425 13.847 -6.907 -19.980 1.00 0.00 H new ATOM 67 N LYS A 426 10.499 -9.335 -23.801 1.00 0.00 N ATOM 68 CA LYS A 426 10.274 -10.409 -24.771 1.00 0.00 C ATOM 69 C LYS A 426 10.504 -11.789 -24.149 1.00 0.00 C ATOM 70 O LYS A 426 11.610 -12.115 -23.716 1.00 0.00 O ATOM 71 CB LYS A 426 11.161 -10.220 -26.009 1.00 0.00 C ATOM 72 CG LYS A 426 10.837 -11.173 -27.147 1.00 0.00 C ATOM 73 CD LYS A 426 9.368 -11.093 -27.541 1.00 0.00 C ATOM 74 CE LYS A 426 9.085 -11.877 -28.811 1.00 0.00 C ATOM 75 NZ LYS A 426 9.721 -11.248 -29.997 1.00 0.00 N ATOM 0 H LYS A 426 9.649 -8.829 -23.553 1.00 0.00 H new ATOM 0 HA LYS A 426 9.230 -10.356 -25.081 1.00 0.00 H new ATOM 0 HB2 LYS A 426 11.058 -9.195 -26.365 1.00 0.00 H new ATOM 0 HB3 LYS A 426 12.204 -10.354 -25.721 1.00 0.00 H new ATOM 0 HG2 LYS A 426 11.460 -10.936 -28.010 1.00 0.00 H new ATOM 0 HG3 LYS A 426 11.080 -12.193 -26.849 1.00 0.00 H new ATOM 0 HD2 LYS A 426 8.752 -11.480 -26.729 1.00 0.00 H new ATOM 0 HD3 LYS A 426 9.086 -10.050 -27.686 1.00 0.00 H new ATOM 0 HE2 LYS A 426 9.453 -12.897 -28.699 1.00 0.00 H new ATOM 0 HE3 LYS A 426 8.008 -11.942 -28.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 9.298 -11.635 -30.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 9.570 -10.219 -29.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 10.742 -11.448 -29.991 1.00 0.00 H new ATOM 89 N SER A 427 9.439 -12.594 -24.128 1.00 0.00 N ATOM 90 CA SER A 427 9.457 -13.951 -23.562 1.00 0.00 C ATOM 91 C SER A 427 10.066 -13.973 -22.156 1.00 0.00 C ATOM 92 O SER A 427 10.900 -14.823 -21.831 1.00 0.00 O ATOM 93 CB SER A 427 10.171 -14.942 -24.501 1.00 0.00 C ATOM 94 OG SER A 427 11.427 -14.452 -24.952 1.00 0.00 O ATOM 0 H SER A 427 8.531 -12.323 -24.506 1.00 0.00 H new ATOM 0 HA SER A 427 8.421 -14.275 -23.468 1.00 0.00 H new ATOM 0 HB2 SER A 427 10.319 -15.889 -23.981 1.00 0.00 H new ATOM 0 HB3 SER A 427 9.534 -15.147 -25.361 1.00 0.00 H new ATOM 0 HG SER A 427 11.786 -13.820 -24.295 1.00 0.00 H new ATOM 100 N GLY A 428 9.618 -13.044 -21.322 1.00 0.00 N ATOM 101 CA GLY A 428 10.096 -12.962 -19.958 1.00 0.00 C ATOM 102 C GLY A 428 9.573 -11.724 -19.266 1.00 0.00 C ATOM 103 O GLY A 428 9.597 -10.633 -19.842 1.00 0.00 O ATOM 0 H GLY A 428 8.924 -12.339 -21.571 1.00 0.00 H new ATOM 0 HA2 GLY A 428 9.783 -13.849 -19.407 1.00 0.00 H new ATOM 0 HA3 GLY A 428 11.186 -12.951 -19.952 1.00 0.00 H new ATOM 107 N VAL A 429 9.058 -11.884 -18.056 1.00 0.00 N ATOM 108 CA VAL A 429 8.473 -10.764 -17.330 1.00 0.00 C ATOM 109 C VAL A 429 8.987 -10.683 -15.893 1.00 0.00 C ATOM 110 O VAL A 429 8.861 -11.631 -15.117 1.00 0.00 O ATOM 111 CB VAL A 429 6.926 -10.842 -17.313 1.00 0.00 C ATOM 112 CG1 VAL A 429 6.355 -10.543 -18.688 1.00 0.00 C ATOM 113 CG2 VAL A 429 6.451 -12.206 -16.831 1.00 0.00 C ATOM 0 H VAL A 429 9.033 -12.773 -17.557 1.00 0.00 H new ATOM 0 HA VAL A 429 8.780 -9.864 -17.863 1.00 0.00 H new ATOM 0 HB VAL A 429 6.564 -10.087 -16.615 1.00 0.00 H new ATOM 0 HG11 VAL A 429 5.267 -10.604 -18.651 1.00 0.00 H new ATOM 0 HG12 VAL A 429 6.652 -9.540 -18.995 1.00 0.00 H new ATOM 0 HG13 VAL A 429 6.735 -11.270 -19.406 1.00 0.00 H new ATOM 0 HG21 VAL A 429 5.361 -12.232 -16.829 1.00 0.00 H new ATOM 0 HG22 VAL A 429 6.831 -12.980 -17.497 1.00 0.00 H new ATOM 0 HG23 VAL A 429 6.820 -12.384 -15.821 1.00 0.00 H new ATOM 123 N PRO A 430 9.528 -9.517 -15.502 1.00 0.00 N ATOM 124 CA PRO A 430 9.992 -9.264 -14.144 1.00 0.00 C ATOM 125 C PRO A 430 8.868 -8.716 -13.269 1.00 0.00 C ATOM 126 O PRO A 430 9.012 -7.678 -12.621 1.00 0.00 O ATOM 127 CB PRO A 430 11.071 -8.208 -14.363 1.00 0.00 C ATOM 128 CG PRO A 430 10.598 -7.420 -15.544 1.00 0.00 C ATOM 129 CD PRO A 430 9.673 -8.316 -16.343 1.00 0.00 C ATOM 0 HA PRO A 430 10.346 -10.159 -13.632 1.00 0.00 H new ATOM 0 HB2 PRO A 430 11.188 -7.573 -13.485 1.00 0.00 H new ATOM 0 HB3 PRO A 430 12.041 -8.667 -14.556 1.00 0.00 H new ATOM 0 HG2 PRO A 430 10.076 -6.519 -15.221 1.00 0.00 H new ATOM 0 HG3 PRO A 430 11.442 -7.098 -16.154 1.00 0.00 H new ATOM 0 HD2 PRO A 430 8.711 -7.837 -16.524 1.00 0.00 H new ATOM 0 HD3 PRO A 430 10.096 -8.560 -17.317 1.00 0.00 H new ATOM 137 N VAL A 431 7.705 -9.337 -13.376 1.00 0.00 N ATOM 138 CA VAL A 431 6.507 -8.835 -12.718 1.00 0.00 C ATOM 139 C VAL A 431 6.425 -9.274 -11.266 1.00 0.00 C ATOM 140 O VAL A 431 5.589 -8.787 -10.506 1.00 0.00 O ATOM 141 CB VAL A 431 5.235 -9.269 -13.470 1.00 0.00 C ATOM 142 CG1 VAL A 431 5.222 -8.670 -14.867 1.00 0.00 C ATOM 143 CG2 VAL A 431 5.137 -10.788 -13.530 1.00 0.00 C ATOM 0 H VAL A 431 7.563 -10.192 -13.914 1.00 0.00 H new ATOM 0 HA VAL A 431 6.575 -7.747 -12.737 1.00 0.00 H new ATOM 0 HB VAL A 431 4.366 -8.898 -12.927 1.00 0.00 H new ATOM 0 HG11 VAL A 431 4.318 -8.984 -15.389 1.00 0.00 H new ATOM 0 HG12 VAL A 431 5.241 -7.582 -14.797 1.00 0.00 H new ATOM 0 HG13 VAL A 431 6.097 -9.014 -15.418 1.00 0.00 H new ATOM 0 HG21 VAL A 431 4.231 -11.073 -14.065 1.00 0.00 H new ATOM 0 HG22 VAL A 431 6.007 -11.188 -14.050 1.00 0.00 H new ATOM 0 HG23 VAL A 431 5.102 -11.191 -12.518 1.00 0.00 H new ATOM 153 N THR A 432 7.343 -10.145 -10.893 1.00 0.00 N ATOM 154 CA THR A 432 7.460 -10.659 -9.528 1.00 0.00 C ATOM 155 C THR A 432 6.301 -11.594 -9.161 1.00 0.00 C ATOM 156 O THR A 432 6.499 -12.802 -9.026 1.00 0.00 O ATOM 157 CB THR A 432 7.566 -9.512 -8.502 1.00 0.00 C ATOM 158 OG1 THR A 432 8.635 -8.630 -8.881 1.00 0.00 O ATOM 159 CG2 THR A 432 7.825 -10.053 -7.103 1.00 0.00 C ATOM 0 H THR A 432 8.041 -10.525 -11.533 1.00 0.00 H new ATOM 0 HA THR A 432 8.381 -11.241 -9.494 1.00 0.00 H new ATOM 0 HB THR A 432 6.621 -8.970 -8.491 1.00 0.00 H new ATOM 0 HG1 THR A 432 8.703 -7.900 -8.231 1.00 0.00 H new ATOM 0 HG21 THR A 432 7.895 -9.223 -6.399 1.00 0.00 H new ATOM 0 HG22 THR A 432 7.006 -10.709 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 432 8.760 -10.614 -7.097 1.00 0.00 H new ATOM 167 N GLN A 433 5.094 -11.049 -9.045 1.00 0.00 N ATOM 168 CA GLN A 433 3.921 -11.852 -8.717 1.00 0.00 C ATOM 169 C GLN A 433 2.688 -11.343 -9.451 1.00 0.00 C ATOM 170 O GLN A 433 1.934 -12.133 -10.024 1.00 0.00 O ATOM 171 CB GLN A 433 3.649 -11.838 -7.209 1.00 0.00 C ATOM 172 CG GLN A 433 4.736 -12.487 -6.368 1.00 0.00 C ATOM 173 CD GLN A 433 4.378 -12.541 -4.896 1.00 0.00 C ATOM 174 OE1 GLN A 433 4.051 -11.522 -4.287 1.00 0.00 O ATOM 175 NE2 GLN A 433 4.440 -13.726 -4.311 1.00 0.00 N ATOM 0 H GLN A 433 4.903 -10.055 -9.173 1.00 0.00 H new ATOM 0 HA GLN A 433 4.130 -12.874 -9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 433 3.524 -10.805 -6.884 1.00 0.00 H new ATOM 0 HB3 GLN A 433 2.705 -12.349 -7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 433 4.917 -13.498 -6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.666 -11.933 -6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 433 4.715 -14.547 -4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 433 4.212 -13.819 -3.321 1.00 0.00 H new ATOM 184 N THR A 434 2.464 -10.032 -9.386 1.00 0.00 N ATOM 185 CA THR A 434 1.294 -9.412 -9.998 1.00 0.00 C ATOM 186 C THR A 434 0.002 -9.944 -9.365 1.00 0.00 C ATOM 187 O THR A 434 -0.893 -10.448 -10.046 1.00 0.00 O ATOM 188 CB THR A 434 1.274 -9.626 -11.528 1.00 0.00 C ATOM 189 OG1 THR A 434 2.539 -9.245 -12.083 1.00 0.00 O ATOM 190 CG2 THR A 434 0.182 -8.798 -12.188 1.00 0.00 C ATOM 0 H THR A 434 3.084 -9.375 -8.911 1.00 0.00 H new ATOM 0 HA THR A 434 1.357 -8.340 -9.812 1.00 0.00 H new ATOM 0 HB THR A 434 1.076 -10.681 -11.716 1.00 0.00 H new ATOM 0 HG1 THR A 434 2.418 -8.472 -12.673 1.00 0.00 H new ATOM 0 HG21 THR A 434 0.194 -8.971 -13.264 1.00 0.00 H new ATOM 0 HG22 THR A 434 -0.788 -9.088 -11.785 1.00 0.00 H new ATOM 0 HG23 THR A 434 0.356 -7.741 -11.988 1.00 0.00 H new ATOM 198 N GLN A 435 -0.086 -9.826 -8.050 1.00 0.00 N ATOM 199 CA GLN A 435 -1.281 -10.236 -7.328 1.00 0.00 C ATOM 200 C GLN A 435 -2.298 -9.100 -7.340 1.00 0.00 C ATOM 201 O GLN A 435 -1.911 -7.932 -7.408 1.00 0.00 O ATOM 202 CB GLN A 435 -0.931 -10.639 -5.895 1.00 0.00 C ATOM 203 CG GLN A 435 0.141 -11.720 -5.805 1.00 0.00 C ATOM 204 CD GLN A 435 -0.283 -13.043 -6.420 1.00 0.00 C ATOM 205 OE1 GLN A 435 -0.593 -13.129 -7.610 1.00 0.00 O ATOM 206 NE2 GLN A 435 -0.275 -14.093 -5.616 1.00 0.00 N ATOM 0 H GLN A 435 0.656 -9.450 -7.460 1.00 0.00 H new ATOM 0 HA GLN A 435 -1.717 -11.105 -7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -0.591 -9.757 -5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -1.833 -10.993 -5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 435 1.044 -11.368 -6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 435 0.398 -11.880 -4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -0.013 -13.983 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -0.531 -15.013 -5.975 1.00 0.00 H new ATOM 215 N THR A 436 -3.584 -9.457 -7.428 1.00 0.00 N ATOM 216 CA THR A 436 -4.675 -8.487 -7.590 1.00 0.00 C ATOM 217 C THR A 436 -4.379 -7.511 -8.730 1.00 0.00 C ATOM 218 O THR A 436 -4.299 -6.297 -8.535 1.00 0.00 O ATOM 219 CB THR A 436 -5.009 -7.726 -6.277 1.00 0.00 C ATOM 220 OG1 THR A 436 -3.823 -7.372 -5.549 1.00 0.00 O ATOM 221 CG2 THR A 436 -5.906 -8.570 -5.388 1.00 0.00 C ATOM 0 H THR A 436 -3.899 -10.426 -7.389 1.00 0.00 H new ATOM 0 HA THR A 436 -5.564 -9.063 -7.849 1.00 0.00 H new ATOM 0 HB THR A 436 -5.526 -6.809 -6.561 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.563 -6.454 -5.773 1.00 0.00 H new ATOM 0 HG21 THR A 436 -6.130 -8.022 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 436 -6.834 -8.793 -5.914 1.00 0.00 H new ATOM 0 HG23 THR A 436 -5.398 -9.501 -5.138 1.00 0.00 H new ATOM 229 N ALA A 437 -4.100 -8.086 -9.897 1.00 0.00 N ATOM 230 CA ALA A 437 -3.663 -7.330 -11.066 1.00 0.00 C ATOM 231 C ALA A 437 -4.724 -6.357 -11.563 1.00 0.00 C ATOM 232 O ALA A 437 -4.421 -5.199 -11.851 1.00 0.00 O ATOM 233 CB ALA A 437 -3.273 -8.286 -12.180 1.00 0.00 C ATOM 0 H ALA A 437 -4.171 -9.091 -10.058 1.00 0.00 H new ATOM 0 HA ALA A 437 -2.800 -6.736 -10.764 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -2.947 -7.717 -13.051 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -2.460 -8.927 -11.841 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -4.132 -8.901 -12.449 1.00 0.00 H new ATOM 239 N GLY A 438 -5.955 -6.839 -11.701 1.00 0.00 N ATOM 240 CA GLY A 438 -7.030 -6.003 -12.209 1.00 0.00 C ATOM 241 C GLY A 438 -7.307 -4.820 -11.305 1.00 0.00 C ATOM 242 O GLY A 438 -7.481 -3.690 -11.772 1.00 0.00 O ATOM 0 H GLY A 438 -6.229 -7.794 -11.470 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -6.770 -5.645 -13.205 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -7.936 -6.600 -12.311 1.00 0.00 H new ATOM 246 N ALA A 439 -7.281 -5.077 -10.009 1.00 0.00 N ATOM 247 CA ALA A 439 -7.466 -4.041 -9.010 1.00 0.00 C ATOM 248 C ALA A 439 -7.020 -4.558 -7.654 1.00 0.00 C ATOM 249 O ALA A 439 -7.448 -5.629 -7.219 1.00 0.00 O ATOM 250 CB ALA A 439 -8.923 -3.598 -8.956 1.00 0.00 C ATOM 0 H ALA A 439 -7.131 -6.008 -9.621 1.00 0.00 H new ATOM 0 HA ALA A 439 -6.860 -3.176 -9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -9.039 -2.821 -8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -9.220 -3.206 -9.929 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -9.553 -4.450 -8.700 1.00 0.00 H new ATOM 256 N ASP A 440 -6.128 -3.821 -7.014 1.00 0.00 N ATOM 257 CA ASP A 440 -5.607 -4.215 -5.715 1.00 0.00 C ATOM 258 C ASP A 440 -6.670 -4.025 -4.650 1.00 0.00 C ATOM 259 O ASP A 440 -7.228 -2.936 -4.512 1.00 0.00 O ATOM 260 CB ASP A 440 -4.357 -3.402 -5.362 1.00 0.00 C ATOM 261 CG ASP A 440 -3.127 -3.865 -6.114 1.00 0.00 C ATOM 262 OD1 ASP A 440 -2.660 -4.991 -5.864 1.00 0.00 O ATOM 263 OD2 ASP A 440 -2.617 -3.103 -6.964 1.00 0.00 O ATOM 0 H ASP A 440 -5.749 -2.945 -7.373 1.00 0.00 H new ATOM 0 HA ASP A 440 -5.330 -5.268 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -4.538 -2.350 -5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -4.172 -3.475 -4.290 1.00 0.00 H new ATOM 268 N THR A 441 -6.954 -5.082 -3.904 1.00 0.00 N ATOM 269 CA THR A 441 -7.929 -5.012 -2.832 1.00 0.00 C ATOM 270 C THR A 441 -7.362 -4.223 -1.661 1.00 0.00 C ATOM 271 O THR A 441 -8.031 -3.358 -1.094 1.00 0.00 O ATOM 272 CB THR A 441 -8.346 -6.422 -2.370 1.00 0.00 C ATOM 273 OG1 THR A 441 -7.196 -7.283 -2.320 1.00 0.00 O ATOM 274 CG2 THR A 441 -9.384 -7.013 -3.312 1.00 0.00 C ATOM 0 H THR A 441 -6.521 -5.998 -4.023 1.00 0.00 H new ATOM 0 HA THR A 441 -8.815 -4.503 -3.210 1.00 0.00 H new ATOM 0 HB THR A 441 -8.783 -6.340 -1.375 1.00 0.00 H new ATOM 0 HG1 THR A 441 -7.469 -8.176 -2.024 1.00 0.00 H new ATOM 0 HG21 THR A 441 -9.664 -8.008 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 441 -10.266 -6.373 -3.329 1.00 0.00 H new ATOM 0 HG23 THR A 441 -8.967 -7.081 -4.317 1.00 0.00 H new ATOM 282 N THR A 442 -6.088 -4.455 -1.389 1.00 0.00 N ATOM 283 CA THR A 442 -5.368 -3.717 -0.370 1.00 0.00 C ATOM 284 C THR A 442 -4.916 -2.357 -0.903 1.00 0.00 C ATOM 285 O THR A 442 -4.219 -2.283 -1.916 1.00 0.00 O ATOM 286 CB THR A 442 -4.143 -4.527 0.102 1.00 0.00 C ATOM 287 OG1 THR A 442 -4.578 -5.736 0.738 1.00 0.00 O ATOM 288 CG2 THR A 442 -3.271 -3.727 1.059 1.00 0.00 C ATOM 0 H THR A 442 -5.527 -5.159 -1.869 1.00 0.00 H new ATOM 0 HA THR A 442 -6.039 -3.553 0.473 1.00 0.00 H new ATOM 0 HB THR A 442 -3.542 -4.765 -0.776 1.00 0.00 H new ATOM 0 HG1 THR A 442 -3.797 -6.249 1.035 1.00 0.00 H new ATOM 0 HG21 THR A 442 -2.419 -4.333 1.368 1.00 0.00 H new ATOM 0 HG22 THR A 442 -2.914 -2.827 0.559 1.00 0.00 H new ATOM 0 HG23 THR A 442 -3.855 -3.448 1.936 1.00 0.00 H new ATOM 296 N ALA A 443 -5.293 -1.287 -0.214 1.00 0.00 N ATOM 297 CA ALA A 443 -4.862 0.048 -0.590 1.00 0.00 C ATOM 298 C ALA A 443 -3.435 0.290 -0.113 1.00 0.00 C ATOM 299 O ALA A 443 -2.556 0.668 -0.890 1.00 0.00 O ATOM 300 CB ALA A 443 -5.804 1.091 -0.013 1.00 0.00 C ATOM 0 H ALA A 443 -5.896 -1.321 0.608 1.00 0.00 H new ATOM 0 HA ALA A 443 -4.884 0.132 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -5.467 2.086 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -6.811 0.923 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -5.811 1.014 1.074 1.00 0.00 H new ATOM 306 N GLU A 444 -3.197 -0.010 1.157 1.00 0.00 N ATOM 307 CA GLU A 444 -1.871 0.101 1.736 1.00 0.00 C ATOM 308 C GLU A 444 -1.041 -1.146 1.438 1.00 0.00 C ATOM 309 O GLU A 444 -0.782 -1.953 2.328 1.00 0.00 O ATOM 310 CB GLU A 444 -1.950 0.319 3.248 1.00 0.00 C ATOM 311 CG GLU A 444 -2.539 1.658 3.655 1.00 0.00 C ATOM 312 CD GLU A 444 -2.490 1.877 5.154 1.00 0.00 C ATOM 313 OE1 GLU A 444 -3.135 1.104 5.894 1.00 0.00 O ATOM 314 OE2 GLU A 444 -1.783 2.804 5.600 1.00 0.00 O ATOM 0 H GLU A 444 -3.913 -0.334 1.807 1.00 0.00 H new ATOM 0 HA GLU A 444 -1.385 0.965 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -2.550 -0.478 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -0.948 0.233 3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -1.994 2.459 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -3.573 1.716 3.315 1.00 0.00 H new ATOM 321 N LYS A 445 -0.618 -1.287 0.185 1.00 0.00 N ATOM 322 CA LYS A 445 0.225 -2.410 -0.236 1.00 0.00 C ATOM 323 C LYS A 445 1.651 -2.222 0.283 1.00 0.00 C ATOM 324 O LYS A 445 2.593 -2.125 -0.500 1.00 0.00 O ATOM 325 CB LYS A 445 0.249 -2.530 -1.767 1.00 0.00 C ATOM 326 CG LYS A 445 -1.098 -2.866 -2.394 1.00 0.00 C ATOM 327 CD LYS A 445 -1.603 -4.240 -1.973 1.00 0.00 C ATOM 328 CE LYS A 445 -0.735 -5.367 -2.508 1.00 0.00 C ATOM 329 NZ LYS A 445 -0.831 -5.511 -3.985 1.00 0.00 N ATOM 0 H LYS A 445 -0.846 -0.634 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 445 -0.196 -3.325 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 445 0.607 -1.590 -2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 445 0.968 -3.299 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 445 -1.829 -2.109 -2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 445 -1.010 -2.830 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 445 -1.634 -4.295 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 445 -2.625 -4.373 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 445 0.303 -5.184 -2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 445 -1.030 -6.304 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -0.797 -6.519 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -1.727 -5.101 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -0.036 -5.014 -4.435 1.00 0.00 H new ATOM 343 N CYS A 446 1.753 -2.022 1.596 1.00 0.00 N ATOM 344 CA CYS A 446 3.003 -1.680 2.274 1.00 0.00 C ATOM 345 C CYS A 446 3.353 -0.230 1.984 1.00 0.00 C ATOM 346 O CYS A 446 4.456 0.245 2.260 1.00 0.00 O ATOM 347 CB CYS A 446 4.117 -2.617 1.838 1.00 0.00 C ATOM 348 SG CYS A 446 5.600 -2.588 2.896 1.00 0.00 S ATOM 0 H CYS A 446 0.957 -2.094 2.229 1.00 0.00 H new ATOM 0 HA CYS A 446 2.879 -1.799 3.350 1.00 0.00 H new ATOM 0 HB2 CYS A 446 3.727 -3.634 1.812 1.00 0.00 H new ATOM 0 HB3 CYS A 446 4.410 -2.361 0.820 1.00 0.00 H new ATOM 353 N LYS A 447 2.349 0.484 1.506 1.00 0.00 N ATOM 354 CA LYS A 447 2.461 1.903 1.233 1.00 0.00 C ATOM 355 C LYS A 447 2.549 2.681 2.535 1.00 0.00 C ATOM 356 O LYS A 447 1.729 2.498 3.436 1.00 0.00 O ATOM 357 CB LYS A 447 1.257 2.369 0.410 1.00 0.00 C ATOM 358 CG LYS A 447 1.338 3.820 -0.024 1.00 0.00 C ATOM 359 CD LYS A 447 0.182 4.184 -0.936 1.00 0.00 C ATOM 360 CE LYS A 447 0.284 5.619 -1.419 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.795 5.950 -2.384 1.00 0.00 N ATOM 0 H LYS A 447 1.431 0.093 1.296 1.00 0.00 H new ATOM 0 HA LYS A 447 3.370 2.086 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 447 1.168 1.739 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.350 2.225 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 447 1.330 4.466 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.282 3.996 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.168 3.511 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.760 4.044 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.230 6.295 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.254 5.777 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.694 6.938 -2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.728 5.321 -3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -1.720 5.823 -1.927 1.00 0.00 H new ATOM 375 N GLY A 448 3.578 3.498 2.653 1.00 0.00 N ATOM 376 CA GLY A 448 3.768 4.254 3.864 1.00 0.00 C ATOM 377 C GLY A 448 5.183 4.163 4.376 1.00 0.00 C ATOM 378 O GLY A 448 5.666 5.085 5.035 1.00 0.00 O ATOM 0 H GLY A 448 4.284 3.651 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.516 5.299 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 448 3.082 3.890 4.629 1.00 0.00 H new ATOM 382 N LYS A 449 5.845 3.038 4.121 1.00 0.00 N ATOM 383 CA LYS A 449 7.191 2.844 4.612 1.00 0.00 C ATOM 384 C LYS A 449 8.190 3.633 3.792 1.00 0.00 C ATOM 385 O LYS A 449 8.114 3.679 2.563 1.00 0.00 O ATOM 386 CB LYS A 449 7.549 1.365 4.622 1.00 0.00 C ATOM 387 CG LYS A 449 6.717 0.572 5.606 1.00 0.00 C ATOM 388 CD LYS A 449 7.049 -0.903 5.564 1.00 0.00 C ATOM 389 CE LYS A 449 8.450 -1.194 6.071 1.00 0.00 C ATOM 390 NZ LYS A 449 8.558 -0.994 7.542 1.00 0.00 N ATOM 0 H LYS A 449 5.469 2.258 3.582 1.00 0.00 H new ATOM 0 HA LYS A 449 7.233 3.215 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 449 7.411 0.955 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 449 8.604 1.252 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 449 6.884 0.953 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 449 5.659 0.713 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 449 6.326 -1.453 6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 449 6.953 -1.266 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 449 8.720 -2.220 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 449 9.163 -0.545 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 9.387 -1.508 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 8.662 0.020 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 7.700 -1.355 8.005 1.00 0.00 H new ATOM 404 N GLY A 450 9.118 4.247 4.494 1.00 0.00 N ATOM 405 CA GLY A 450 10.163 5.021 3.850 1.00 0.00 C ATOM 406 C GLY A 450 11.243 4.128 3.290 1.00 0.00 C ATOM 407 O GLY A 450 11.319 2.966 3.655 1.00 0.00 O ATOM 0 H GLY A 450 9.172 4.227 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.732 5.621 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.599 5.715 4.568 1.00 0.00 H new ATOM 411 N GLU A 451 12.059 4.643 2.380 1.00 0.00 N ATOM 412 CA GLU A 451 13.115 3.836 1.777 1.00 0.00 C ATOM 413 C GLU A 451 14.093 3.345 2.843 1.00 0.00 C ATOM 414 O GLU A 451 14.550 2.207 2.799 1.00 0.00 O ATOM 415 CB GLU A 451 13.860 4.622 0.699 1.00 0.00 C ATOM 416 CG GLU A 451 14.930 3.803 -0.004 1.00 0.00 C ATOM 417 CD GLU A 451 15.595 4.550 -1.136 1.00 0.00 C ATOM 418 OE1 GLU A 451 16.142 5.646 -0.890 1.00 0.00 O ATOM 419 OE2 GLU A 451 15.594 4.031 -2.272 1.00 0.00 O ATOM 0 H GLU A 451 12.013 5.605 2.045 1.00 0.00 H new ATOM 0 HA GLU A 451 12.646 2.971 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 451 13.144 4.983 -0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.321 5.500 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 451 15.687 3.505 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 451 14.483 2.888 -0.393 1.00 0.00 H new ATOM 426 N LYS A 452 14.334 4.178 3.848 1.00 0.00 N ATOM 427 CA LYS A 452 15.174 3.798 4.979 1.00 0.00 C ATOM 428 C LYS A 452 14.354 3.034 6.015 1.00 0.00 C ATOM 429 O LYS A 452 14.472 3.263 7.222 1.00 0.00 O ATOM 430 CB LYS A 452 15.807 5.040 5.616 1.00 0.00 C ATOM 431 CG LYS A 452 16.691 5.828 4.662 1.00 0.00 C ATOM 432 CD LYS A 452 17.894 5.015 4.210 1.00 0.00 C ATOM 433 CE LYS A 452 18.747 5.790 3.219 1.00 0.00 C ATOM 434 NZ LYS A 452 19.178 7.103 3.767 1.00 0.00 N ATOM 0 H LYS A 452 13.958 5.125 3.903 1.00 0.00 H new ATOM 0 HA LYS A 452 15.971 3.149 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 452 15.016 5.691 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 452 16.399 4.734 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 452 16.108 6.131 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 452 17.031 6.741 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 452 18.497 4.743 5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 452 17.556 4.086 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 452 19.625 5.200 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 452 18.183 5.948 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 19.938 7.494 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 18.371 7.759 3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 19.527 6.976 4.739 1.00 0.00 H new ATOM 448 N ASP A 453 13.484 2.164 5.528 1.00 0.00 N ATOM 449 CA ASP A 453 12.590 1.393 6.383 1.00 0.00 C ATOM 450 C ASP A 453 12.005 0.224 5.600 1.00 0.00 C ATOM 451 O ASP A 453 12.140 -0.936 5.991 1.00 0.00 O ATOM 452 CB ASP A 453 11.468 2.291 6.910 1.00 0.00 C ATOM 453 CG ASP A 453 10.558 1.581 7.883 1.00 0.00 C ATOM 454 OD1 ASP A 453 11.053 1.110 8.927 1.00 0.00 O ATOM 455 OD2 ASP A 453 9.342 1.507 7.619 1.00 0.00 O ATOM 0 H ASP A 453 13.376 1.971 4.532 1.00 0.00 H new ATOM 0 HA ASP A 453 13.154 1.003 7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 453 11.905 3.162 7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 453 10.878 2.659 6.070 1.00 0.00 H new ATOM 460 N CYS A 454 11.471 0.537 4.428 1.00 0.00 N ATOM 461 CA CYS A 454 10.995 -0.467 3.493 1.00 0.00 C ATOM 462 C CYS A 454 12.203 -1.112 2.810 1.00 0.00 C ATOM 463 O CYS A 454 13.174 -0.420 2.499 1.00 0.00 O ATOM 464 CB CYS A 454 10.066 0.176 2.456 1.00 0.00 C ATOM 465 SG CYS A 454 8.692 -0.907 1.944 1.00 0.00 S ATOM 0 H CYS A 454 11.356 1.496 4.100 1.00 0.00 H new ATOM 0 HA CYS A 454 10.428 -1.231 4.024 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.657 1.099 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 454 10.649 0.450 1.577 1.00 0.00 H new ATOM 470 N LYS A 455 12.233 -2.437 2.735 1.00 0.00 N ATOM 471 CA LYS A 455 13.417 -3.127 2.262 1.00 0.00 C ATOM 472 C LYS A 455 13.038 -4.363 1.465 1.00 0.00 C ATOM 473 O LYS A 455 13.634 -5.432 1.603 1.00 0.00 O ATOM 474 CB LYS A 455 14.295 -3.504 3.448 1.00 0.00 C ATOM 475 CG LYS A 455 15.699 -3.895 3.050 1.00 0.00 C ATOM 476 CD LYS A 455 16.461 -2.714 2.475 1.00 0.00 C ATOM 477 CE LYS A 455 17.834 -3.121 1.957 1.00 0.00 C ATOM 478 NZ LYS A 455 18.700 -3.682 3.029 1.00 0.00 N ATOM 0 H LYS A 455 11.457 -3.046 2.994 1.00 0.00 H new ATOM 0 HA LYS A 455 13.974 -2.461 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 455 14.341 -2.662 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 455 13.833 -4.332 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 455 16.230 -4.284 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 455 15.660 -4.698 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 455 15.884 -2.270 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 455 16.575 -1.948 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 455 17.716 -3.860 1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 455 18.324 -2.254 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 19.655 -3.849 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 18.753 -3.009 3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 18.298 -4.580 3.365 1.00 0.00 H new ATOM 492 N SER A 456 12.082 -4.162 0.586 1.00 0.00 N ATOM 493 CA SER A 456 11.611 -5.187 -0.337 1.00 0.00 C ATOM 494 C SER A 456 11.402 -6.574 0.308 1.00 0.00 C ATOM 495 O SER A 456 11.745 -7.586 -0.304 1.00 0.00 O ATOM 496 CB SER A 456 12.592 -5.288 -1.502 1.00 0.00 C ATOM 497 OG SER A 456 12.786 -4.019 -2.112 1.00 0.00 O ATOM 0 H SER A 456 11.598 -3.270 0.486 1.00 0.00 H new ATOM 0 HA SER A 456 10.624 -4.876 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 456 13.547 -5.675 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 456 12.216 -5.997 -2.239 1.00 0.00 H new ATOM 0 HG SER A 456 13.419 -4.106 -2.855 1.00 0.00 H new ATOM 503 N PRO A 457 10.776 -6.675 1.510 1.00 0.00 N ATOM 504 CA PRO A 457 10.477 -7.969 2.119 1.00 0.00 C ATOM 505 C PRO A 457 9.196 -8.548 1.530 1.00 0.00 C ATOM 506 O PRO A 457 9.165 -9.667 1.015 1.00 0.00 O ATOM 507 CB PRO A 457 10.289 -7.638 3.607 1.00 0.00 C ATOM 508 CG PRO A 457 10.319 -6.140 3.722 1.00 0.00 C ATOM 509 CD PRO A 457 10.238 -5.581 2.328 1.00 0.00 C ATOM 0 HA PRO A 457 11.257 -8.711 1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 457 9.344 -8.036 3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 457 11.080 -8.088 4.207 1.00 0.00 H new ATOM 0 HG2 PRO A 457 9.485 -5.785 4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 457 11.234 -5.811 4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 457 9.214 -5.333 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 457 10.826 -4.669 2.222 1.00 0.00 H new ATOM 517 N ASP A 458 8.189 -7.694 1.489 1.00 0.00 N ATOM 518 CA ASP A 458 6.916 -7.983 0.851 1.00 0.00 C ATOM 519 C ASP A 458 6.386 -6.663 0.313 1.00 0.00 C ATOM 520 O ASP A 458 5.227 -6.298 0.492 1.00 0.00 O ATOM 521 CB ASP A 458 5.940 -8.592 1.864 1.00 0.00 C ATOM 522 CG ASP A 458 4.748 -9.284 1.220 1.00 0.00 C ATOM 523 OD1 ASP A 458 3.957 -8.618 0.524 1.00 0.00 O ATOM 524 OD2 ASP A 458 4.588 -10.503 1.424 1.00 0.00 O ATOM 0 H ASP A 458 8.233 -6.764 1.905 1.00 0.00 H new ATOM 0 HA ASP A 458 7.034 -8.707 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 458 6.475 -9.311 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 458 5.579 -7.805 2.526 1.00 0.00 H new ATOM 529 N CYS A 459 7.317 -5.869 -0.185 1.00 0.00 N ATOM 530 CA CYS A 459 7.026 -4.510 -0.597 1.00 0.00 C ATOM 531 C CYS A 459 7.927 -4.118 -1.752 1.00 0.00 C ATOM 532 O CYS A 459 9.142 -4.290 -1.680 1.00 0.00 O ATOM 533 CB CYS A 459 7.260 -3.538 0.566 1.00 0.00 C ATOM 534 SG CYS A 459 6.700 -4.135 2.194 1.00 0.00 S ATOM 0 H CYS A 459 8.290 -6.147 -0.314 1.00 0.00 H new ATOM 0 HA CYS A 459 5.982 -4.460 -0.906 1.00 0.00 H new ATOM 0 HB2 CYS A 459 8.325 -3.315 0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 459 6.750 -2.601 0.344 1.00 0.00 H new ATOM 539 N LYS A 460 7.353 -3.539 -2.790 1.00 0.00 N ATOM 540 CA LYS A 460 8.149 -3.087 -3.917 1.00 0.00 C ATOM 541 C LYS A 460 8.256 -1.574 -3.909 1.00 0.00 C ATOM 542 O LYS A 460 7.275 -0.876 -3.664 1.00 0.00 O ATOM 543 CB LYS A 460 7.555 -3.556 -5.242 1.00 0.00 C ATOM 544 CG LYS A 460 8.528 -3.425 -6.402 1.00 0.00 C ATOM 545 CD LYS A 460 7.861 -3.696 -7.734 1.00 0.00 C ATOM 546 CE LYS A 460 8.887 -3.838 -8.847 1.00 0.00 C ATOM 547 NZ LYS A 460 9.736 -2.625 -8.992 1.00 0.00 N ATOM 0 H LYS A 460 6.351 -3.372 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 460 9.144 -3.522 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.246 -4.597 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 460 6.658 -2.976 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 460 8.953 -2.421 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 460 9.355 -4.121 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 460 7.266 -4.607 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 460 7.174 -2.884 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 460 9.522 -4.701 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 460 8.374 -4.034 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 10.249 -2.667 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 9.135 -1.776 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 10.418 -2.583 -8.208 1.00 0.00 H new ATOM 561 N TRP A 461 9.447 -1.071 -4.163 1.00 0.00 N ATOM 562 CA TRP A 461 9.661 0.363 -4.197 1.00 0.00 C ATOM 563 C TRP A 461 9.338 0.905 -5.580 1.00 0.00 C ATOM 564 O TRP A 461 9.867 0.419 -6.579 1.00 0.00 O ATOM 565 CB TRP A 461 11.105 0.697 -3.834 1.00 0.00 C ATOM 566 CG TRP A 461 11.276 2.108 -3.375 1.00 0.00 C ATOM 567 CD1 TRP A 461 11.959 3.105 -4.008 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.756 2.677 -2.172 1.00 0.00 C ATOM 569 NE1 TRP A 461 11.888 4.262 -3.270 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.160 4.021 -2.138 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.988 2.179 -1.121 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.818 4.871 -1.091 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.648 3.023 -0.087 1.00 0.00 C ATOM 574 CH2 TRP A 461 10.063 4.356 -0.076 1.00 0.00 C ATOM 0 H TRP A 461 10.279 -1.631 -4.348 1.00 0.00 H new ATOM 0 HA TRP A 461 9.000 0.829 -3.466 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.443 0.021 -3.049 1.00 0.00 H new ATOM 0 HB3 TRP A 461 11.742 0.522 -4.701 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.478 3.000 -4.949 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.310 5.155 -3.525 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.665 1.148 -1.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 11.138 5.902 -1.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 9.050 2.647 0.730 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.782 4.992 0.751 1.00 0.00 H new ATOM 585 N GLU A 462 8.473 1.907 -5.637 1.00 0.00 N ATOM 586 CA GLU A 462 8.092 2.518 -6.902 1.00 0.00 C ATOM 587 C GLU A 462 7.796 4.000 -6.718 1.00 0.00 C ATOM 588 O GLU A 462 6.891 4.372 -5.968 1.00 0.00 O ATOM 589 CB GLU A 462 6.863 1.824 -7.494 1.00 0.00 C ATOM 590 CG GLU A 462 7.146 0.454 -8.091 1.00 0.00 C ATOM 591 CD GLU A 462 7.996 0.522 -9.346 1.00 0.00 C ATOM 592 OE1 GLU A 462 8.282 1.641 -9.826 1.00 0.00 O ATOM 593 OE2 GLU A 462 8.366 -0.545 -9.875 1.00 0.00 O ATOM 0 H GLU A 462 8.020 2.315 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 462 8.930 2.404 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 462 6.109 1.719 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 462 6.436 2.463 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 462 7.652 -0.163 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 462 6.201 -0.038 -8.324 1.00 0.00 H new ATOM 600 N GLY A 463 8.533 4.834 -7.442 1.00 0.00 N ATOM 601 CA GLY A 463 8.307 6.269 -7.406 1.00 0.00 C ATOM 602 C GLY A 463 8.373 6.844 -6.005 1.00 0.00 C ATOM 603 O GLY A 463 7.510 7.632 -5.612 1.00 0.00 O ATOM 0 H GLY A 463 9.290 4.540 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 463 9.050 6.764 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 463 7.330 6.488 -7.837 1.00 0.00 H new ATOM 607 N GLY A 464 9.391 6.445 -5.250 1.00 0.00 N ATOM 608 CA GLY A 464 9.547 6.928 -3.888 1.00 0.00 C ATOM 609 C GLY A 464 8.383 6.540 -2.995 1.00 0.00 C ATOM 610 O GLY A 464 7.967 7.309 -2.131 1.00 0.00 O ATOM 0 H GLY A 464 10.114 5.794 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.471 6.529 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.645 8.014 -3.900 1.00 0.00 H new ATOM 614 N THR A 465 7.845 5.354 -3.219 1.00 0.00 N ATOM 615 CA THR A 465 6.716 4.858 -2.456 1.00 0.00 C ATOM 616 C THR A 465 6.703 3.336 -2.478 1.00 0.00 C ATOM 617 O THR A 465 6.906 2.727 -3.529 1.00 0.00 O ATOM 618 CB THR A 465 5.388 5.384 -3.027 1.00 0.00 C ATOM 619 OG1 THR A 465 5.325 6.811 -2.903 1.00 0.00 O ATOM 620 CG2 THR A 465 4.198 4.756 -2.324 1.00 0.00 C ATOM 0 H THR A 465 8.179 4.709 -3.935 1.00 0.00 H new ATOM 0 HA THR A 465 6.821 5.213 -1.431 1.00 0.00 H new ATOM 0 HB THR A 465 5.347 5.110 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 465 6.151 7.140 -2.492 1.00 0.00 H new ATOM 0 HG21 THR A 465 3.275 5.148 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 465 4.227 3.674 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 465 4.236 4.994 -1.261 1.00 0.00 H new ATOM 628 N CYS A 466 6.497 2.722 -1.326 1.00 0.00 N ATOM 629 CA CYS A 466 6.440 1.272 -1.257 1.00 0.00 C ATOM 630 C CYS A 466 5.032 0.791 -1.570 1.00 0.00 C ATOM 631 O CYS A 466 4.061 1.342 -1.062 1.00 0.00 O ATOM 632 CB CYS A 466 6.894 0.768 0.119 1.00 0.00 C ATOM 633 SG CYS A 466 8.313 -0.382 0.022 1.00 0.00 S ATOM 0 H CYS A 466 6.368 3.199 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 466 7.123 0.863 -2.001 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.166 1.621 0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 466 6.060 0.267 0.611 1.00 0.00 H new ATOM 638 N LYS A 467 4.925 -0.178 -2.469 1.00 0.00 N ATOM 639 CA LYS A 467 3.633 -0.712 -2.878 1.00 0.00 C ATOM 640 C LYS A 467 3.829 -1.987 -3.686 1.00 0.00 C ATOM 641 O LYS A 467 4.708 -2.058 -4.546 1.00 0.00 O ATOM 642 CB LYS A 467 2.850 0.324 -3.699 1.00 0.00 C ATOM 643 CG LYS A 467 3.519 0.710 -5.009 1.00 0.00 C ATOM 644 CD LYS A 467 2.689 1.720 -5.780 1.00 0.00 C ATOM 645 CE LYS A 467 3.230 1.925 -7.185 1.00 0.00 C ATOM 646 NZ LYS A 467 3.107 0.694 -8.016 1.00 0.00 N ATOM 0 H LYS A 467 5.723 -0.613 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 467 3.056 -0.944 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 467 1.857 -0.072 -3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 467 2.712 1.221 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 467 4.505 1.127 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 467 3.669 -0.181 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 467 1.655 1.379 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 467 2.684 2.671 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 467 2.691 2.742 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 467 4.277 2.222 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 3.176 0.946 -9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 3.871 0.032 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 2.187 0.243 -7.835 1.00 0.00 H new ATOM 660 N ASP A 468 3.056 -3.014 -3.368 1.00 0.00 N ATOM 661 CA ASP A 468 3.165 -4.284 -4.074 1.00 0.00 C ATOM 662 C ASP A 468 2.301 -4.252 -5.329 1.00 0.00 C ATOM 663 O ASP A 468 2.857 -4.293 -6.448 1.00 0.00 O ATOM 664 CB ASP A 468 2.743 -5.443 -3.161 1.00 0.00 C ATOM 665 CG ASP A 468 3.009 -6.812 -3.768 1.00 0.00 C ATOM 666 OD1 ASP A 468 3.580 -6.891 -4.872 1.00 0.00 O ATOM 667 OD2 ASP A 468 2.653 -7.827 -3.129 1.00 0.00 O ATOM 668 OXT ASP A 468 1.065 -4.154 -5.193 1.00 0.00 O ATOM 0 H ASP A 468 2.351 -2.995 -2.631 1.00 0.00 H new ATOM 0 HA ASP A 468 4.204 -4.440 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 468 3.276 -5.363 -2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 468 1.680 -5.352 -2.937 1.00 0.00 H new TER 673 ASP A 468