USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 395 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 499 GLN : amide:sc= 0.00447 K(o=0.0045,f=-2.6) USER MOD Set 1.2: A 503 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0325) USER MOD Set 2.1: A 466 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 470 SER OG : rot 82:sc= 1.25 USER MOD Single : A 462 SER OG : rot 34:sc= 0.28 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 SER OG : rot 72:sc= 1.27 USER MOD Single : A 478 LYS NZ :NH3+ -119:sc= -0.826 (180deg=-2.04!) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 489 LYS NZ :NH3+ 176:sc= 0.727 (180deg=0.693) USER MOD Single : A 492 ASN : amide:sc= -0.0449 K(o=-0.045,f=-2!) USER MOD Single : A 496 LYS NZ :NH3+ 165:sc= -0.044 (180deg=-0.267) USER MOD Single : A 498 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.041) USER MOD Single : A 500 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -6.452 0.882 6.651 1.00 1.77 N ATOM 2 CA SER A 462 -5.345 1.317 7.491 1.00 1.60 C ATOM 3 C SER A 462 -4.187 0.324 7.449 1.00 1.25 C ATOM 4 O SER A 462 -3.033 0.712 7.600 1.00 1.09 O ATOM 5 CB SER A 462 -5.838 1.480 8.928 1.00 1.97 C ATOM 6 OG SER A 462 -7.056 2.208 8.960 1.00 2.70 O ATOM 0 HA SER A 462 -4.978 2.270 7.111 1.00 1.60 H new ATOM 0 HB2 SER A 462 -5.982 0.500 9.382 1.00 1.97 H new ATOM 0 HB3 SER A 462 -5.083 1.997 9.520 1.00 1.97 H new ATOM 0 HG SER A 462 -7.588 1.990 8.166 1.00 2.70 H new ATOM 14 N VAL A 463 -4.508 -0.951 7.230 1.00 1.25 N ATOM 15 CA VAL A 463 -3.499 -2.006 7.176 1.00 1.07 C ATOM 16 C VAL A 463 -2.446 -1.687 6.121 1.00 0.89 C ATOM 17 O VAL A 463 -1.275 -1.481 6.436 1.00 0.76 O ATOM 18 CB VAL A 463 -4.131 -3.381 6.857 1.00 1.28 C ATOM 19 CG1 VAL A 463 -3.109 -4.495 7.024 1.00 1.28 C ATOM 20 CG2 VAL A 463 -5.348 -3.626 7.736 1.00 1.50 C ATOM 0 H VAL A 463 -5.463 -1.278 7.087 1.00 1.25 H new ATOM 0 HA VAL A 463 -3.032 -2.054 8.160 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.457 -3.376 5.817 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -3.575 -5.453 6.795 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -2.273 -4.326 6.345 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -2.746 -4.505 8.052 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -5.779 -4.598 7.497 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -5.049 -3.609 8.784 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -6.089 -2.847 7.557 1.00 1.50 H new ATOM 30 N ILE A 464 -2.877 -1.614 4.873 1.00 1.02 N ATOM 31 CA ILE A 464 -1.964 -1.376 3.764 1.00 1.02 C ATOM 32 C ILE A 464 -1.405 0.040 3.833 1.00 0.88 C ATOM 33 O ILE A 464 -0.227 0.264 3.542 1.00 0.84 O ATOM 34 CB ILE A 464 -2.641 -1.603 2.388 1.00 1.35 C ATOM 35 CG1 ILE A 464 -3.098 -3.058 2.227 1.00 1.81 C ATOM 36 CG2 ILE A 464 -1.692 -1.233 1.253 1.00 1.96 C ATOM 37 CD1 ILE A 464 -4.338 -3.419 3.020 1.00 2.72 C ATOM 0 H ILE A 464 -3.855 -1.716 4.600 1.00 1.02 H new ATOM 0 HA ILE A 464 -1.152 -2.097 3.858 1.00 1.02 H new ATOM 0 HB ILE A 464 -3.518 -0.958 2.344 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -3.288 -3.251 1.171 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -2.284 -3.717 2.530 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -2.187 -1.400 0.296 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -1.413 -0.183 1.339 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -0.797 -1.852 1.311 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -4.589 -4.465 2.847 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -4.149 -3.262 4.082 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -5.169 -2.789 2.702 1.00 2.72 H new ATOM 49 N ARG A 465 -2.251 0.984 4.246 1.00 0.94 N ATOM 50 CA ARG A 465 -1.839 2.375 4.393 1.00 0.95 C ATOM 51 C ARG A 465 -0.652 2.475 5.350 1.00 0.83 C ATOM 52 O ARG A 465 0.297 3.224 5.108 1.00 0.90 O ATOM 53 CB ARG A 465 -3.027 3.222 4.883 1.00 1.18 C ATOM 54 CG ARG A 465 -2.722 4.707 5.040 1.00 1.57 C ATOM 55 CD ARG A 465 -2.208 5.039 6.435 1.00 1.81 C ATOM 56 NE ARG A 465 -3.222 4.802 7.463 1.00 2.13 N ATOM 57 CZ ARG A 465 -2.945 4.499 8.733 1.00 2.61 C ATOM 58 NH1 ARG A 465 -1.685 4.405 9.139 1.00 2.88 N ATOM 59 NH2 ARG A 465 -3.931 4.313 9.604 1.00 3.37 N ATOM 0 H ARG A 465 -3.227 0.808 4.484 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.521 2.763 3.425 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -3.853 3.106 4.182 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -3.365 2.830 5.842 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -1.980 5.005 4.300 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -3.623 5.286 4.838 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -1.326 4.436 6.650 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -1.896 6.083 6.468 1.00 1.81 H new ATOM 0 HE ARG A 465 -4.203 4.873 7.192 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -0.923 4.565 8.480 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -1.478 4.173 10.111 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -4.901 4.402 9.302 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -3.718 4.081 10.574 1.00 3.37 H new ATOM 73 N SER A 466 -0.702 1.708 6.426 1.00 0.80 N ATOM 74 CA SER A 466 0.376 1.691 7.393 1.00 0.87 C ATOM 75 C SER A 466 1.593 0.958 6.833 1.00 0.85 C ATOM 76 O SER A 466 2.718 1.440 6.953 1.00 1.03 O ATOM 77 CB SER A 466 -0.090 1.033 8.696 1.00 0.96 C ATOM 78 OG SER A 466 0.932 1.047 9.681 1.00 1.63 O ATOM 0 H SER A 466 -1.481 1.088 6.650 1.00 0.80 H new ATOM 0 HA SER A 466 0.665 2.721 7.604 1.00 0.87 H new ATOM 0 HB2 SER A 466 -0.969 1.555 9.075 1.00 0.96 H new ATOM 0 HB3 SER A 466 -0.391 0.004 8.498 1.00 0.96 H new ATOM 0 HG SER A 466 0.603 0.622 10.500 1.00 1.63 H new ATOM 84 N ILE A 467 1.359 -0.191 6.201 1.00 0.78 N ATOM 85 CA ILE A 467 2.450 -1.033 5.711 1.00 0.91 C ATOM 86 C ILE A 467 3.345 -0.289 4.720 1.00 0.96 C ATOM 87 O ILE A 467 4.570 -0.320 4.860 1.00 1.18 O ATOM 88 CB ILE A 467 1.937 -2.352 5.078 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.195 -3.179 6.132 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.094 -3.155 4.492 1.00 1.24 C ATOM 91 CD1 ILE A 467 0.564 -4.442 5.588 1.00 1.59 C ATOM 0 H ILE A 467 0.426 -0.560 6.016 1.00 0.78 H new ATOM 0 HA ILE A 467 3.046 -1.290 6.587 1.00 0.91 H new ATOM 0 HB ILE A 467 1.250 -2.107 4.268 1.00 1.02 H new ATOM 0 HG12 ILE A 467 1.892 -3.446 6.927 1.00 1.14 H new ATOM 0 HG13 ILE A 467 0.418 -2.562 6.583 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.712 -4.077 4.053 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.593 -2.566 3.722 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.806 -3.397 5.281 1.00 1.24 H new ATOM 0 HD11 ILE A 467 0.058 -4.972 6.395 1.00 1.59 H new ATOM 0 HD12 ILE A 467 -0.159 -4.183 4.814 1.00 1.59 H new ATOM 0 HD13 ILE A 467 1.338 -5.081 5.163 1.00 1.59 H new ATOM 103 N ILE A 468 2.753 0.397 3.740 1.00 0.87 N ATOM 104 CA ILE A 468 3.555 1.138 2.772 1.00 0.99 C ATOM 105 C ILE A 468 4.423 2.179 3.469 1.00 1.08 C ATOM 106 O ILE A 468 5.638 2.203 3.270 1.00 1.27 O ATOM 107 CB ILE A 468 2.714 1.815 1.659 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.498 2.545 2.241 1.00 0.80 C ATOM 109 CG2 ILE A 468 2.268 0.785 0.637 1.00 1.34 C ATOM 110 CD1 ILE A 468 0.701 3.303 1.216 1.00 1.65 C ATOM 0 H ILE A 468 1.744 0.454 3.599 1.00 0.87 H new ATOM 0 HA ILE A 468 4.188 0.397 2.284 1.00 0.99 H new ATOM 0 HB ILE A 468 3.345 2.555 1.167 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.848 1.818 2.729 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.836 3.238 3.011 1.00 0.80 H new ATOM 0 HG21 ILE A 468 1.678 1.274 -0.139 1.00 1.34 H new ATOM 0 HG22 ILE A 468 3.143 0.317 0.187 1.00 1.34 H new ATOM 0 HG23 ILE A 468 1.662 0.024 1.128 1.00 1.34 H new ATOM 0 HD11 ILE A 468 -0.143 3.793 1.701 1.00 1.65 H new ATOM 0 HD12 ILE A 468 1.335 4.054 0.745 1.00 1.65 H new ATOM 0 HD13 ILE A 468 0.332 2.612 0.458 1.00 1.65 H new ATOM 122 N LYS A 469 3.813 3.009 4.316 1.00 1.04 N ATOM 123 CA LYS A 469 4.559 4.030 5.046 1.00 1.27 C ATOM 124 C LYS A 469 5.645 3.401 5.914 1.00 1.47 C ATOM 125 O LYS A 469 6.766 3.903 5.978 1.00 1.68 O ATOM 126 CB LYS A 469 3.640 4.870 5.930 1.00 1.35 C ATOM 127 CG LYS A 469 2.749 5.829 5.168 1.00 1.75 C ATOM 128 CD LYS A 469 2.316 6.974 6.065 1.00 1.96 C ATOM 129 CE LYS A 469 1.452 7.978 5.329 1.00 2.66 C ATOM 130 NZ LYS A 469 1.271 9.224 6.117 1.00 2.97 N ATOM 0 H LYS A 469 2.812 2.994 4.511 1.00 1.04 H new ATOM 0 HA LYS A 469 5.021 4.677 4.300 1.00 1.27 H new ATOM 0 HB2 LYS A 469 3.014 4.202 6.521 1.00 1.35 H new ATOM 0 HB3 LYS A 469 4.250 5.439 6.632 1.00 1.35 H new ATOM 0 HG2 LYS A 469 3.282 6.219 4.301 1.00 1.75 H new ATOM 0 HG3 LYS A 469 1.872 5.301 4.793 1.00 1.75 H new ATOM 0 HD2 LYS A 469 1.765 6.578 6.918 1.00 1.96 H new ATOM 0 HD3 LYS A 469 3.198 7.477 6.462 1.00 1.96 H new ATOM 0 HE2 LYS A 469 1.909 8.217 4.369 1.00 2.66 H new ATOM 0 HE3 LYS A 469 0.478 7.536 5.118 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 0.675 9.889 5.584 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 0.813 8.998 7.023 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 2.198 9.659 6.297 1.00 2.97 H new ATOM 144 N SER A 470 5.305 2.300 6.574 1.00 1.46 N ATOM 145 CA SER A 470 6.239 1.604 7.449 1.00 1.71 C ATOM 146 C SER A 470 7.343 0.935 6.635 1.00 1.82 C ATOM 147 O SER A 470 8.411 0.616 7.159 1.00 2.10 O ATOM 148 CB SER A 470 5.497 0.569 8.296 1.00 1.74 C ATOM 149 OG SER A 470 4.404 1.165 8.979 1.00 2.10 O ATOM 0 H SER A 470 4.383 1.868 6.518 1.00 1.46 H new ATOM 0 HA SER A 470 6.701 2.334 8.114 1.00 1.71 H new ATOM 0 HB2 SER A 470 5.136 -0.238 7.658 1.00 1.74 H new ATOM 0 HB3 SER A 470 6.183 0.124 9.017 1.00 1.74 H new ATOM 0 HG SER A 470 3.637 1.234 8.372 1.00 2.10 H new ATOM 155 N SER A 471 7.091 0.727 5.349 1.00 1.68 N ATOM 156 CA SER A 471 8.101 0.174 4.476 1.00 1.90 C ATOM 157 C SER A 471 8.871 1.314 3.828 1.00 1.57 C ATOM 158 O SER A 471 8.460 1.845 2.790 1.00 1.83 O ATOM 159 CB SER A 471 7.460 -0.719 3.413 1.00 2.65 C ATOM 160 OG SER A 471 6.685 -1.746 4.010 1.00 3.40 O ATOM 0 H SER A 471 6.201 0.933 4.896 1.00 1.68 H new ATOM 0 HA SER A 471 8.788 -0.442 5.057 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.829 -0.116 2.759 1.00 2.65 H new ATOM 0 HB3 SER A 471 8.236 -1.161 2.788 1.00 2.65 H new ATOM 0 HG SER A 471 5.868 -1.361 4.389 1.00 3.40 H new ATOM 166 N ARG A 472 9.968 1.710 4.460 1.00 1.77 N ATOM 167 CA ARG A 472 10.774 2.823 3.982 1.00 1.99 C ATOM 168 C ARG A 472 11.553 2.426 2.732 1.00 1.90 C ATOM 169 O ARG A 472 12.758 2.179 2.786 1.00 2.38 O ATOM 170 CB ARG A 472 11.742 3.283 5.071 1.00 2.75 C ATOM 171 CG ARG A 472 12.282 4.684 4.843 1.00 3.26 C ATOM 172 CD ARG A 472 13.637 4.878 5.504 1.00 3.92 C ATOM 173 NE ARG A 472 14.686 4.149 4.795 1.00 4.22 N ATOM 174 CZ ARG A 472 15.896 3.894 5.292 1.00 4.90 C ATOM 175 NH1 ARG A 472 16.232 4.318 6.503 1.00 5.31 N ATOM 176 NH2 ARG A 472 16.771 3.216 4.564 1.00 5.50 N ATOM 0 H ARG A 472 10.321 1.272 5.311 1.00 1.77 H new ATOM 0 HA ARG A 472 10.104 3.645 3.730 1.00 1.99 H new ATOM 0 HB2 ARG A 472 11.235 3.249 6.036 1.00 2.75 H new ATOM 0 HB3 ARG A 472 12.577 2.584 5.124 1.00 2.75 H new ATOM 0 HG2 ARG A 472 12.369 4.871 3.773 1.00 3.26 H new ATOM 0 HG3 ARG A 472 11.576 5.415 5.238 1.00 3.26 H new ATOM 0 HD2 ARG A 472 13.883 5.940 5.529 1.00 3.92 H new ATOM 0 HD3 ARG A 472 13.591 4.538 6.538 1.00 3.92 H new ATOM 0 HE ARG A 472 14.478 3.812 3.855 1.00 4.22 H new ATOM 0 HH11 ARG A 472 15.562 4.845 7.063 1.00 5.31 H new ATOM 0 HH12 ARG A 472 17.161 4.117 6.874 1.00 5.31 H new ATOM 0 HH21 ARG A 472 16.516 2.893 3.630 1.00 5.50 H new ATOM 0 HH22 ARG A 472 17.699 3.017 4.937 1.00 5.50 H new ATOM 190 N LEU A 473 10.849 2.329 1.618 1.00 1.57 N ATOM 191 CA LEU A 473 11.487 2.072 0.339 1.00 1.68 C ATOM 192 C LEU A 473 11.596 3.384 -0.414 1.00 1.46 C ATOM 193 O LEU A 473 12.650 4.021 -0.446 1.00 2.00 O ATOM 194 CB LEU A 473 10.676 1.080 -0.510 1.00 2.11 C ATOM 195 CG LEU A 473 9.769 0.116 0.255 1.00 1.80 C ATOM 196 CD1 LEU A 473 8.970 -0.734 -0.718 1.00 2.32 C ATOM 197 CD2 LEU A 473 10.581 -0.776 1.186 1.00 2.17 C ATOM 0 H LEU A 473 9.834 2.424 1.573 1.00 1.57 H new ATOM 0 HA LEU A 473 12.469 1.637 0.523 1.00 1.68 H new ATOM 0 HB2 LEU A 473 10.060 1.649 -1.206 1.00 2.11 H new ATOM 0 HB3 LEU A 473 11.373 0.492 -1.108 1.00 2.11 H new ATOM 0 HG LEU A 473 9.082 0.705 0.862 1.00 1.80 H new ATOM 0 HD11 LEU A 473 8.328 -1.417 -0.162 1.00 2.32 H new ATOM 0 HD12 LEU A 473 8.356 -0.088 -1.346 1.00 2.32 H new ATOM 0 HD13 LEU A 473 9.652 -1.308 -1.345 1.00 2.32 H new ATOM 0 HD21 LEU A 473 9.911 -1.452 1.718 1.00 2.17 H new ATOM 0 HD22 LEU A 473 11.295 -1.357 0.602 1.00 2.17 H new ATOM 0 HD23 LEU A 473 11.119 -0.158 1.905 1.00 2.17 H new ATOM 209 N GLU A 474 10.471 3.790 -0.980 1.00 1.28 N ATOM 210 CA GLU A 474 10.380 5.011 -1.747 1.00 1.36 C ATOM 211 C GLU A 474 9.204 5.862 -1.271 1.00 1.06 C ATOM 212 O GLU A 474 8.050 5.408 -1.194 1.00 1.14 O ATOM 213 CB GLU A 474 10.242 4.668 -3.224 1.00 1.92 C ATOM 214 CG GLU A 474 9.235 3.567 -3.512 1.00 2.48 C ATOM 215 CD GLU A 474 8.994 3.401 -4.997 1.00 3.00 C ATOM 216 OE1 GLU A 474 8.463 4.336 -5.629 1.00 3.36 O ATOM 217 OE2 GLU A 474 9.327 2.327 -5.536 1.00 3.47 O ATOM 0 H GLU A 474 9.593 3.275 -0.917 1.00 1.28 H new ATOM 0 HA GLU A 474 11.288 5.596 -1.602 1.00 1.36 H new ATOM 0 HB2 GLU A 474 9.949 5.565 -3.769 1.00 1.92 H new ATOM 0 HB3 GLU A 474 11.216 4.365 -3.609 1.00 1.92 H new ATOM 0 HG2 GLU A 474 9.595 2.627 -3.095 1.00 2.48 H new ATOM 0 HG3 GLU A 474 8.293 3.797 -3.014 1.00 2.48 H new ATOM 224 N GLU A 475 9.523 7.107 -0.949 1.00 0.94 N ATOM 225 CA GLU A 475 8.583 8.034 -0.341 1.00 0.84 C ATOM 226 C GLU A 475 7.347 8.264 -1.195 1.00 0.73 C ATOM 227 O GLU A 475 6.225 8.242 -0.683 1.00 0.73 O ATOM 228 CB GLU A 475 9.279 9.362 -0.057 1.00 1.20 C ATOM 229 CG GLU A 475 10.154 9.320 1.180 1.00 1.66 C ATOM 230 CD GLU A 475 9.334 9.155 2.439 1.00 2.13 C ATOM 231 OE1 GLU A 475 8.846 8.038 2.695 1.00 2.79 O ATOM 232 OE2 GLU A 475 9.124 10.154 3.154 1.00 2.49 O ATOM 0 H GLU A 475 10.449 7.504 -1.104 1.00 0.94 H new ATOM 0 HA GLU A 475 8.243 7.583 0.591 1.00 0.84 H new ATOM 0 HB2 GLU A 475 9.889 9.637 -0.917 1.00 1.20 H new ATOM 0 HB3 GLU A 475 8.527 10.142 0.063 1.00 1.20 H new ATOM 0 HG2 GLU A 475 10.863 8.496 1.097 1.00 1.66 H new ATOM 0 HG3 GLU A 475 10.738 10.238 1.244 1.00 1.66 H new ATOM 239 N ASP A 476 7.538 8.458 -2.494 1.00 0.88 N ATOM 240 CA ASP A 476 6.414 8.765 -3.367 1.00 0.98 C ATOM 241 C ASP A 476 5.476 7.581 -3.484 1.00 0.85 C ATOM 242 O ASP A 476 4.319 7.765 -3.809 1.00 0.84 O ATOM 243 CB ASP A 476 6.854 9.161 -4.774 1.00 1.36 C ATOM 244 CG ASP A 476 5.929 10.190 -5.407 1.00 2.00 C ATOM 245 OD1 ASP A 476 6.111 11.399 -5.146 1.00 2.43 O ATOM 246 OD2 ASP A 476 5.011 9.798 -6.159 1.00 2.63 O ATOM 0 H ASP A 476 8.444 8.409 -2.959 1.00 0.88 H new ATOM 0 HA ASP A 476 5.905 9.611 -2.906 1.00 0.98 H new ATOM 0 HB2 ASP A 476 7.866 9.563 -4.735 1.00 1.36 H new ATOM 0 HB3 ASP A 476 6.888 8.272 -5.404 1.00 1.36 H new ATOM 251 N ARG A 477 5.954 6.363 -3.206 1.00 0.89 N ATOM 252 CA ARG A 477 5.116 5.199 -3.383 1.00 0.96 C ATOM 253 C ARG A 477 4.279 4.969 -2.139 1.00 0.80 C ATOM 254 O ARG A 477 3.139 4.532 -2.234 1.00 0.85 O ATOM 255 CB ARG A 477 5.961 3.976 -3.738 1.00 1.23 C ATOM 256 CG ARG A 477 5.387 2.657 -3.264 1.00 1.57 C ATOM 257 CD ARG A 477 6.306 2.027 -2.239 1.00 1.89 C ATOM 258 NE ARG A 477 6.799 3.010 -1.274 1.00 1.95 N ATOM 259 CZ ARG A 477 6.970 2.749 0.026 1.00 2.54 C ATOM 260 NH1 ARG A 477 6.597 1.580 0.528 1.00 2.96 N ATOM 261 NH2 ARG A 477 7.502 3.663 0.829 1.00 2.98 N ATOM 0 H ARG A 477 6.896 6.172 -2.866 1.00 0.89 H new ATOM 0 HA ARG A 477 4.435 5.371 -4.216 1.00 0.96 H new ATOM 0 HB2 ARG A 477 6.083 3.936 -4.820 1.00 1.23 H new ATOM 0 HB3 ARG A 477 6.955 4.100 -3.309 1.00 1.23 H new ATOM 0 HG2 ARG A 477 4.400 2.816 -2.830 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.258 1.983 -4.111 1.00 1.57 H new ATOM 0 HD2 ARG A 477 5.774 1.235 -1.712 1.00 1.89 H new ATOM 0 HD3 ARG A 477 7.150 1.560 -2.746 1.00 1.89 H new ATOM 0 HE ARG A 477 7.025 3.946 -1.612 1.00 1.95 H new ATOM 0 HH11 ARG A 477 6.178 0.875 -0.078 1.00 2.96 H new ATOM 0 HH12 ARG A 477 6.730 1.386 1.520 1.00 2.96 H new ATOM 0 HH21 ARG A 477 7.782 4.569 0.455 1.00 2.98 H new ATOM 0 HH22 ARG A 477 7.630 3.459 1.820 1.00 2.98 H new ATOM 275 N LYS A 478 4.826 5.279 -0.966 1.00 0.77 N ATOM 276 CA LYS A 478 4.016 5.226 0.242 1.00 0.90 C ATOM 277 C LYS A 478 2.954 6.315 0.171 1.00 0.74 C ATOM 278 O LYS A 478 1.821 6.131 0.602 1.00 0.80 O ATOM 279 CB LYS A 478 4.876 5.357 1.508 1.00 1.21 C ATOM 280 CG LYS A 478 5.084 6.772 2.025 1.00 1.27 C ATOM 281 CD LYS A 478 5.868 6.756 3.328 1.00 1.66 C ATOM 282 CE LYS A 478 5.787 8.083 4.065 1.00 1.97 C ATOM 283 NZ LYS A 478 6.474 9.176 3.337 1.00 2.30 N ATOM 0 H LYS A 478 5.797 5.561 -0.829 1.00 0.77 H new ATOM 0 HA LYS A 478 3.529 4.253 0.303 1.00 0.90 H new ATOM 0 HB2 LYS A 478 4.416 4.765 2.299 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.853 4.917 1.308 1.00 1.21 H new ATOM 0 HG2 LYS A 478 5.618 7.362 1.280 1.00 1.27 H new ATOM 0 HG3 LYS A 478 4.119 7.254 2.181 1.00 1.27 H new ATOM 0 HD2 LYS A 478 5.486 5.962 3.970 1.00 1.66 H new ATOM 0 HD3 LYS A 478 6.912 6.522 3.119 1.00 1.66 H new ATOM 0 HE2 LYS A 478 4.741 8.350 4.213 1.00 1.97 H new ATOM 0 HE3 LYS A 478 6.231 7.974 5.054 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 7.246 9.552 3.924 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 6.864 8.808 2.446 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 5.795 9.936 3.130 1.00 2.30 H new ATOM 297 N ARG A 479 3.328 7.441 -0.418 1.00 0.71 N ATOM 298 CA ARG A 479 2.394 8.534 -0.639 1.00 0.86 C ATOM 299 C ARG A 479 1.423 8.204 -1.780 1.00 0.80 C ATOM 300 O ARG A 479 0.234 8.527 -1.711 1.00 0.90 O ATOM 301 CB ARG A 479 3.166 9.818 -0.937 1.00 1.09 C ATOM 302 CG ARG A 479 4.031 10.280 0.226 1.00 1.22 C ATOM 303 CD ARG A 479 4.904 11.467 -0.155 1.00 1.88 C ATOM 304 NE ARG A 479 5.798 11.857 0.932 1.00 2.47 N ATOM 305 CZ ARG A 479 7.071 12.216 0.759 1.00 3.27 C ATOM 306 NH1 ARG A 479 7.586 12.302 -0.464 1.00 3.65 N ATOM 307 NH2 ARG A 479 7.820 12.512 1.812 1.00 4.14 N ATOM 0 H ARG A 479 4.275 7.622 -0.752 1.00 0.71 H new ATOM 0 HA ARG A 479 1.803 8.679 0.265 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.798 9.660 -1.811 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.460 10.608 -1.193 1.00 1.09 H new ATOM 0 HG2 ARG A 479 3.394 10.553 1.067 1.00 1.22 H new ATOM 0 HG3 ARG A 479 4.663 9.456 0.559 1.00 1.22 H new ATOM 0 HD2 ARG A 479 5.493 11.216 -1.037 1.00 1.88 H new ATOM 0 HD3 ARG A 479 4.270 12.312 -0.425 1.00 1.88 H new ATOM 0 HE ARG A 479 5.426 11.855 1.882 1.00 2.47 H new ATOM 0 HH11 ARG A 479 7.007 12.093 -1.277 1.00 3.65 H new ATOM 0 HH12 ARG A 479 8.560 12.577 -0.589 1.00 3.65 H new ATOM 0 HH21 ARG A 479 7.422 12.465 2.750 1.00 4.14 H new ATOM 0 HH22 ARG A 479 8.794 12.787 1.684 1.00 4.14 H new ATOM 321 N TYR A 480 1.932 7.542 -2.816 1.00 0.83 N ATOM 322 CA TYR A 480 1.128 7.174 -3.977 1.00 1.03 C ATOM 323 C TYR A 480 0.088 6.127 -3.589 1.00 0.82 C ATOM 324 O TYR A 480 -1.122 6.315 -3.775 1.00 0.82 O ATOM 325 CB TYR A 480 2.019 6.617 -5.092 1.00 1.44 C ATOM 326 CG TYR A 480 1.307 6.421 -6.413 1.00 1.81 C ATOM 327 CD1 TYR A 480 0.966 7.505 -7.214 1.00 2.09 C ATOM 328 CD2 TYR A 480 0.969 5.149 -6.856 1.00 2.00 C ATOM 329 CE1 TYR A 480 0.308 7.324 -8.414 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.314 4.962 -8.057 1.00 2.36 C ATOM 331 CZ TYR A 480 0.015 6.073 -8.850 1.00 2.55 C ATOM 332 OH TYR A 480 -0.679 5.869 -10.021 1.00 2.93 O ATOM 0 H TYR A 480 2.907 7.247 -2.874 1.00 0.83 H new ATOM 0 HA TYR A 480 0.622 8.069 -4.338 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.860 7.294 -5.242 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.432 5.661 -4.769 1.00 1.44 H new ATOM 0 HD1 TYR A 480 1.220 8.504 -6.892 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.223 4.291 -6.251 1.00 2.00 H new ATOM 0 HE1 TYR A 480 0.026 8.181 -9.008 1.00 2.45 H new ATOM 0 HE2 TYR A 480 0.036 3.969 -8.379 1.00 2.36 H new ATOM 0 HH TYR A 480 -0.794 4.907 -10.170 1.00 2.93 H new ATOM 342 N LEU A 481 0.574 5.031 -3.022 1.00 0.91 N ATOM 343 CA LEU A 481 -0.275 3.910 -2.667 1.00 1.15 C ATOM 344 C LEU A 481 -1.199 4.263 -1.514 1.00 1.03 C ATOM 345 O LEU A 481 -2.238 3.640 -1.352 1.00 1.19 O ATOM 346 CB LEU A 481 0.559 2.679 -2.313 1.00 1.66 C ATOM 347 CG LEU A 481 1.400 2.106 -3.458 1.00 2.09 C ATOM 348 CD1 LEU A 481 2.148 0.864 -2.998 1.00 2.68 C ATOM 349 CD2 LEU A 481 0.526 1.784 -4.658 1.00 2.73 C ATOM 0 H LEU A 481 1.560 4.898 -2.798 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.886 3.676 -3.539 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.224 2.936 -1.489 1.00 1.66 H new ATOM 0 HB3 LEU A 481 -0.111 1.899 -1.950 1.00 1.66 H new ATOM 0 HG LEU A 481 2.128 2.860 -3.757 1.00 2.09 H new ATOM 0 HD11 LEU A 481 2.741 0.470 -3.823 1.00 2.68 H new ATOM 0 HD12 LEU A 481 2.807 1.122 -2.169 1.00 2.68 H new ATOM 0 HD13 LEU A 481 1.433 0.109 -2.671 1.00 2.68 H new ATOM 0 HD21 LEU A 481 1.143 1.378 -5.459 1.00 2.73 H new ATOM 0 HD22 LEU A 481 -0.227 1.049 -4.373 1.00 2.73 H new ATOM 0 HD23 LEU A 481 0.034 2.693 -5.004 1.00 2.73 H new ATOM 361 N MET A 482 -0.828 5.245 -0.697 1.00 1.05 N ATOM 362 CA MET A 482 -1.744 5.720 0.330 1.00 1.49 C ATOM 363 C MET A 482 -2.943 6.362 -0.337 1.00 1.39 C ATOM 364 O MET A 482 -4.087 6.037 -0.028 1.00 1.65 O ATOM 365 CB MET A 482 -1.090 6.727 1.273 1.00 2.05 C ATOM 366 CG MET A 482 -2.027 7.174 2.382 1.00 3.10 C ATOM 367 SD MET A 482 -1.314 8.429 3.460 1.00 4.00 S ATOM 368 CE MET A 482 -2.674 8.685 4.598 1.00 4.93 C ATOM 0 H MET A 482 0.076 5.716 -0.725 1.00 1.05 H new ATOM 0 HA MET A 482 -2.046 4.861 0.929 1.00 1.49 H new ATOM 0 HB2 MET A 482 -0.197 6.282 1.712 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.765 7.597 0.703 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.943 7.565 1.938 1.00 3.10 H new ATOM 0 HG3 MET A 482 -2.308 6.308 2.981 1.00 3.10 H new ATOM 0 HE1 MET A 482 -2.395 9.438 5.335 1.00 4.93 H new ATOM 0 HE2 MET A 482 -3.551 9.025 4.047 1.00 4.93 H new ATOM 0 HE3 MET A 482 -2.905 7.748 5.105 1.00 4.93 H new ATOM 378 N THR A 483 -2.658 7.257 -1.279 1.00 1.25 N ATOM 379 CA THR A 483 -3.692 7.917 -2.061 1.00 1.59 C ATOM 380 C THR A 483 -4.610 6.885 -2.711 1.00 1.32 C ATOM 381 O THR A 483 -5.823 7.082 -2.808 1.00 1.59 O ATOM 382 CB THR A 483 -3.062 8.809 -3.151 1.00 1.93 C ATOM 383 OG1 THR A 483 -2.049 9.648 -2.573 1.00 2.27 O ATOM 384 CG2 THR A 483 -4.114 9.674 -3.829 1.00 2.46 C ATOM 0 H THR A 483 -1.708 7.542 -1.519 1.00 1.25 H new ATOM 0 HA THR A 483 -4.278 8.542 -1.387 1.00 1.59 H new ATOM 0 HB THR A 483 -2.615 8.158 -3.902 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.203 9.155 -2.527 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.640 10.292 -4.592 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.866 9.036 -4.294 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.591 10.315 -3.088 1.00 2.46 H new ATOM 392 N LEU A 484 -4.020 5.779 -3.134 1.00 0.92 N ATOM 393 CA LEU A 484 -4.782 4.697 -3.738 1.00 0.90 C ATOM 394 C LEU A 484 -5.532 3.874 -2.689 1.00 0.84 C ATOM 395 O LEU A 484 -6.754 3.964 -2.584 1.00 0.91 O ATOM 396 CB LEU A 484 -3.869 3.782 -4.557 1.00 1.15 C ATOM 397 CG LEU A 484 -3.188 4.440 -5.756 1.00 1.69 C ATOM 398 CD1 LEU A 484 -2.359 3.417 -6.513 1.00 2.28 C ATOM 399 CD2 LEU A 484 -4.218 5.079 -6.677 1.00 2.20 C ATOM 0 H LEU A 484 -3.017 5.606 -3.071 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.518 5.155 -4.399 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.099 3.381 -3.898 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -4.456 2.936 -4.913 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.526 5.225 -5.390 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -1.878 3.897 -7.365 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -1.597 3.005 -5.851 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -3.006 2.614 -6.866 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -3.711 5.542 -7.524 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -4.906 4.315 -7.039 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.775 5.839 -6.128 1.00 2.20 H new ATOM 411 N LEU A 485 -4.800 3.101 -1.889 1.00 1.02 N ATOM 412 CA LEU A 485 -5.414 2.082 -1.039 1.00 1.47 C ATOM 413 C LEU A 485 -6.317 2.685 0.023 1.00 1.75 C ATOM 414 O LEU A 485 -7.380 2.136 0.316 1.00 1.92 O ATOM 415 CB LEU A 485 -4.358 1.194 -0.379 1.00 1.90 C ATOM 416 CG LEU A 485 -3.740 0.112 -1.275 1.00 2.48 C ATOM 417 CD1 LEU A 485 -4.825 -0.769 -1.873 1.00 3.19 C ATOM 418 CD2 LEU A 485 -2.885 0.722 -2.375 1.00 3.10 C ATOM 0 H LEU A 485 -3.785 3.160 -1.811 1.00 1.02 H new ATOM 0 HA LEU A 485 -6.031 1.468 -1.696 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.556 1.831 -0.006 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -4.808 0.708 0.487 1.00 1.90 H new ATOM 0 HG LEU A 485 -3.092 -0.504 -0.652 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -4.368 -1.530 -2.505 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -5.385 -1.251 -1.072 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -5.501 -0.158 -2.471 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -2.463 -0.072 -2.991 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -3.501 1.373 -2.995 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -2.078 1.303 -1.929 1.00 3.10 H new ATOM 430 N ASP A 486 -5.923 3.826 0.572 1.00 1.95 N ATOM 431 CA ASP A 486 -6.698 4.453 1.639 1.00 2.47 C ATOM 432 C ASP A 486 -8.043 4.942 1.100 1.00 2.33 C ATOM 433 O ASP A 486 -8.956 5.266 1.860 1.00 2.75 O ATOM 434 CB ASP A 486 -5.910 5.608 2.268 1.00 2.90 C ATOM 435 CG ASP A 486 -6.616 6.227 3.459 1.00 3.47 C ATOM 436 OD1 ASP A 486 -6.876 5.504 4.446 1.00 3.72 O ATOM 437 OD2 ASP A 486 -6.928 7.433 3.410 1.00 3.86 O ATOM 0 H ASP A 486 -5.081 4.334 0.301 1.00 1.95 H new ATOM 0 HA ASP A 486 -6.888 3.711 2.415 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -4.931 5.245 2.581 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -5.739 6.377 1.514 1.00 2.90 H new ATOM 442 N ASP A 487 -8.164 4.979 -0.218 1.00 1.85 N ATOM 443 CA ASP A 487 -9.418 5.350 -0.854 1.00 1.83 C ATOM 444 C ASP A 487 -10.013 4.156 -1.607 1.00 1.35 C ATOM 445 O ASP A 487 -11.148 4.213 -2.083 1.00 1.40 O ATOM 446 CB ASP A 487 -9.197 6.536 -1.802 1.00 2.05 C ATOM 447 CG ASP A 487 -10.494 7.137 -2.308 1.00 2.41 C ATOM 448 OD1 ASP A 487 -11.170 7.845 -1.527 1.00 2.77 O ATOM 449 OD2 ASP A 487 -10.833 6.926 -3.488 1.00 2.59 O ATOM 0 H ASP A 487 -7.410 4.757 -0.867 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.127 5.650 -0.083 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -8.623 7.305 -1.285 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.598 6.209 -2.652 1.00 2.05 H new ATOM 454 N ILE A 488 -9.246 3.062 -1.692 1.00 1.14 N ATOM 455 CA ILE A 488 -9.696 1.856 -2.391 1.00 1.13 C ATOM 456 C ILE A 488 -10.944 1.274 -1.736 1.00 1.43 C ATOM 457 O ILE A 488 -11.906 0.929 -2.423 1.00 2.27 O ATOM 458 CB ILE A 488 -8.596 0.762 -2.459 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.529 1.123 -3.497 1.00 1.21 C ATOM 460 CG2 ILE A 488 -9.191 -0.606 -2.772 1.00 1.77 C ATOM 461 CD1 ILE A 488 -8.081 1.374 -4.885 1.00 1.67 C ATOM 0 H ILE A 488 -8.313 2.989 -1.286 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.929 2.166 -3.410 1.00 1.13 H new ATOM 0 HB ILE A 488 -8.125 0.712 -1.477 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.997 2.014 -3.162 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.798 0.316 -3.548 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -8.394 -1.349 -2.812 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.903 -0.880 -1.994 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.702 -0.569 -3.734 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -7.264 1.624 -5.562 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -8.588 0.478 -5.243 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -8.789 2.202 -4.851 1.00 1.67 H new ATOM 473 N LYS A 489 -10.911 1.180 -0.402 1.00 1.42 N ATOM 474 CA LYS A 489 -12.027 0.666 0.404 1.00 1.75 C ATOM 475 C LYS A 489 -12.176 -0.852 0.267 1.00 1.29 C ATOM 476 O LYS A 489 -12.244 -1.566 1.269 1.00 1.88 O ATOM 477 CB LYS A 489 -13.355 1.345 0.033 1.00 2.46 C ATOM 478 CG LYS A 489 -13.311 2.866 0.050 1.00 3.04 C ATOM 479 CD LYS A 489 -14.660 3.456 -0.328 1.00 3.88 C ATOM 480 CE LYS A 489 -14.582 4.959 -0.538 1.00 4.70 C ATOM 481 NZ LYS A 489 -13.755 5.313 -1.721 1.00 5.28 N ATOM 0 H LYS A 489 -10.103 1.460 0.154 1.00 1.42 H new ATOM 0 HA LYS A 489 -11.789 0.902 1.441 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -13.653 1.014 -0.962 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -14.127 1.008 0.725 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -13.024 3.214 1.042 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -12.549 3.219 -0.645 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -15.022 2.980 -1.240 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -15.385 3.236 0.456 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -15.588 5.360 -0.665 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -14.162 5.428 0.352 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -13.783 6.342 -1.869 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -12.772 5.013 -1.560 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -14.130 4.832 -2.563 1.00 5.28 H new ATOM 495 N GLY A 490 -12.234 -1.332 -0.970 1.00 0.91 N ATOM 496 CA GLY A 490 -12.446 -2.744 -1.229 1.00 0.96 C ATOM 497 C GLY A 490 -11.310 -3.617 -0.739 1.00 0.67 C ATOM 498 O GLY A 490 -10.160 -3.447 -1.151 1.00 0.69 O ATOM 0 H GLY A 490 -12.136 -0.759 -1.808 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.372 -3.060 -0.748 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -12.575 -2.895 -2.301 1.00 0.96 H new ATOM 502 N ALA A 491 -11.647 -4.576 0.117 1.00 0.70 N ATOM 503 CA ALA A 491 -10.667 -5.470 0.720 1.00 0.84 C ATOM 504 C ALA A 491 -9.946 -6.312 -0.329 1.00 0.71 C ATOM 505 O ALA A 491 -8.852 -6.821 -0.081 1.00 0.69 O ATOM 506 CB ALA A 491 -11.344 -6.370 1.741 1.00 1.22 C ATOM 0 H ALA A 491 -12.607 -4.755 0.412 1.00 0.70 H new ATOM 0 HA ALA A 491 -9.918 -4.855 1.218 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -10.604 -7.035 2.187 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -11.799 -5.758 2.520 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.115 -6.963 1.249 1.00 1.22 H new ATOM 512 N ASN A 492 -10.563 -6.466 -1.496 1.00 0.73 N ATOM 513 CA ASN A 492 -9.959 -7.229 -2.585 1.00 0.78 C ATOM 514 C ASN A 492 -8.651 -6.592 -3.035 1.00 0.65 C ATOM 515 O ASN A 492 -7.598 -7.236 -3.019 1.00 0.67 O ATOM 516 CB ASN A 492 -10.914 -7.346 -3.776 1.00 1.00 C ATOM 517 CG ASN A 492 -12.098 -8.246 -3.489 1.00 1.61 C ATOM 518 OD1 ASN A 492 -12.564 -8.339 -2.354 1.00 2.38 O ATOM 519 ND2 ASN A 492 -12.592 -8.923 -4.515 1.00 2.19 N ATOM 0 H ASN A 492 -11.479 -6.074 -1.713 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.752 -8.230 -2.206 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.274 -6.353 -4.047 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -10.369 -7.733 -4.637 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -13.386 -9.548 -4.379 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -12.178 -8.819 -5.441 1.00 2.19 H new ATOM 526 N ASP A 493 -8.715 -5.322 -3.419 1.00 0.63 N ATOM 527 CA ASP A 493 -7.532 -4.615 -3.894 1.00 0.69 C ATOM 528 C ASP A 493 -6.580 -4.338 -2.742 1.00 0.62 C ATOM 529 O ASP A 493 -5.365 -4.334 -2.921 1.00 0.66 O ATOM 530 CB ASP A 493 -7.903 -3.304 -4.593 1.00 0.86 C ATOM 531 CG ASP A 493 -8.707 -3.519 -5.859 1.00 1.33 C ATOM 532 OD1 ASP A 493 -8.180 -4.135 -6.809 1.00 1.46 O ATOM 533 OD2 ASP A 493 -9.873 -3.079 -5.910 1.00 1.97 O ATOM 0 H ASP A 493 -9.569 -4.764 -3.411 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.036 -5.257 -4.622 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -8.476 -2.681 -3.906 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -6.992 -2.757 -4.835 1.00 0.86 H new ATOM 538 N LEU A 494 -7.134 -4.116 -1.557 1.00 0.61 N ATOM 539 CA LEU A 494 -6.325 -3.907 -0.362 1.00 0.69 C ATOM 540 C LEU A 494 -5.376 -5.079 -0.136 1.00 0.57 C ATOM 541 O LEU A 494 -4.154 -4.914 -0.127 1.00 0.56 O ATOM 542 CB LEU A 494 -7.219 -3.724 0.863 1.00 0.91 C ATOM 543 CG LEU A 494 -8.082 -2.463 0.857 1.00 1.15 C ATOM 544 CD1 LEU A 494 -9.012 -2.464 2.052 1.00 1.74 C ATOM 545 CD2 LEU A 494 -7.213 -1.215 0.865 1.00 1.77 C ATOM 0 H LEU A 494 -8.141 -4.076 -1.397 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.734 -3.003 -0.511 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.873 -4.592 0.948 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -6.590 -3.710 1.753 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.679 -2.457 -0.055 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -9.623 -1.561 2.039 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -9.659 -3.340 2.009 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -8.425 -2.491 2.970 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -7.848 -0.329 0.861 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -6.591 -1.211 1.760 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -6.576 -1.209 -0.020 1.00 1.77 H new ATOM 557 N ALA A 495 -5.941 -6.269 0.023 1.00 0.56 N ATOM 558 CA ALA A 495 -5.143 -7.462 0.262 1.00 0.59 C ATOM 559 C ALA A 495 -4.257 -7.768 -0.944 1.00 0.55 C ATOM 560 O ALA A 495 -3.198 -8.388 -0.810 1.00 0.58 O ATOM 561 CB ALA A 495 -6.039 -8.648 0.582 1.00 0.68 C ATOM 0 H ALA A 495 -6.947 -6.432 -0.009 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.498 -7.277 1.121 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.425 -9.531 0.758 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.626 -8.430 1.475 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.710 -8.834 -0.257 1.00 0.68 H new ATOM 567 N LYS A 496 -4.701 -7.328 -2.119 1.00 0.59 N ATOM 568 CA LYS A 496 -3.922 -7.472 -3.342 1.00 0.68 C ATOM 569 C LYS A 496 -2.641 -6.647 -3.264 1.00 0.63 C ATOM 570 O LYS A 496 -1.549 -7.178 -3.436 1.00 0.65 O ATOM 571 CB LYS A 496 -4.752 -7.047 -4.558 1.00 0.85 C ATOM 572 CG LYS A 496 -3.996 -7.112 -5.879 1.00 1.29 C ATOM 573 CD LYS A 496 -3.562 -8.531 -6.221 1.00 1.77 C ATOM 574 CE LYS A 496 -4.755 -9.451 -6.445 1.00 2.53 C ATOM 575 NZ LYS A 496 -5.635 -8.965 -7.541 1.00 2.98 N ATOM 0 H LYS A 496 -5.601 -6.867 -2.248 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.651 -8.522 -3.453 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.633 -7.685 -4.624 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.107 -6.028 -4.404 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -4.628 -6.724 -6.678 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -3.118 -6.468 -5.826 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.942 -8.515 -7.118 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -2.945 -8.926 -5.414 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -4.400 -10.454 -6.683 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -5.332 -9.527 -5.523 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -6.279 -9.728 -7.833 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -6.190 -8.152 -7.206 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -5.052 -8.675 -8.352 1.00 2.98 H new ATOM 589 N PHE A 497 -2.777 -5.353 -2.989 1.00 0.64 N ATOM 590 CA PHE A 497 -1.619 -4.467 -2.877 1.00 0.70 C ATOM 591 C PHE A 497 -0.777 -4.815 -1.650 1.00 0.62 C ATOM 592 O PHE A 497 0.414 -4.506 -1.588 1.00 0.67 O ATOM 593 CB PHE A 497 -2.057 -2.999 -2.832 1.00 0.84 C ATOM 594 CG PHE A 497 -2.399 -2.426 -4.183 1.00 0.98 C ATOM 595 CD1 PHE A 497 -3.639 -2.669 -4.754 1.00 1.27 C ATOM 596 CD2 PHE A 497 -1.486 -1.652 -4.882 1.00 1.34 C ATOM 597 CE1 PHE A 497 -3.959 -2.152 -5.996 1.00 1.72 C ATOM 598 CE2 PHE A 497 -1.802 -1.133 -6.123 1.00 1.67 C ATOM 599 CZ PHE A 497 -3.023 -1.352 -6.672 1.00 1.82 C ATOM 0 H PHE A 497 -3.675 -4.894 -2.840 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.001 -4.613 -3.763 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -2.925 -2.908 -2.179 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.259 -2.405 -2.387 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -4.363 -3.269 -4.223 1.00 1.27 H new ATOM 0 HD2 PHE A 497 -0.516 -1.452 -4.451 1.00 1.34 H new ATOM 0 HE1 PHE A 497 -4.920 -2.361 -6.442 1.00 1.72 H new ATOM 0 HE2 PHE A 497 -1.071 -0.548 -6.661 1.00 1.67 H new ATOM 0 HZ PHE A 497 -3.275 -0.913 -7.626 1.00 1.82 H new ATOM 609 N HIS A 498 -1.394 -5.484 -0.690 1.00 0.57 N ATOM 610 CA HIS A 498 -0.687 -5.948 0.494 1.00 0.62 C ATOM 611 C HIS A 498 0.287 -7.047 0.099 1.00 0.54 C ATOM 612 O HIS A 498 1.491 -6.947 0.346 1.00 0.56 O ATOM 613 CB HIS A 498 -1.682 -6.451 1.553 1.00 0.75 C ATOM 614 CG HIS A 498 -1.048 -7.067 2.770 1.00 1.03 C ATOM 615 ND1 HIS A 498 -1.735 -7.886 3.639 1.00 1.62 N ATOM 616 CD2 HIS A 498 0.214 -6.983 3.263 1.00 1.49 C ATOM 617 CE1 HIS A 498 -0.929 -8.278 4.605 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.261 -7.747 4.402 1.00 1.69 N ATOM 0 H HIS A 498 -2.386 -5.719 -0.707 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.129 -5.120 0.930 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.308 -5.616 1.869 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.341 -7.187 1.092 1.00 0.75 H new ATOM 0 HD2 HIS A 498 1.031 -6.419 2.837 1.00 1.49 H new ATOM 0 HE1 HIS A 498 -1.198 -8.926 5.426 1.00 1.85 H new ATOM 0 HE2 HIS A 498 1.081 -7.882 4.994 1.00 1.69 H new ATOM 627 N GLN A 499 -0.235 -8.086 -0.543 1.00 0.54 N ATOM 628 CA GLN A 499 0.602 -9.187 -0.993 1.00 0.60 C ATOM 629 C GLN A 499 1.491 -8.727 -2.140 1.00 0.53 C ATOM 630 O GLN A 499 2.504 -9.354 -2.443 1.00 0.54 O ATOM 631 CB GLN A 499 -0.250 -10.388 -1.415 1.00 0.77 C ATOM 632 CG GLN A 499 -1.111 -10.140 -2.641 1.00 1.43 C ATOM 633 CD GLN A 499 -2.014 -11.311 -2.955 1.00 2.00 C ATOM 634 OE1 GLN A 499 -1.630 -12.227 -3.682 1.00 2.63 O ATOM 635 NE2 GLN A 499 -3.219 -11.286 -2.413 1.00 2.58 N ATOM 0 H GLN A 499 -1.226 -8.187 -0.761 1.00 0.54 H new ATOM 0 HA GLN A 499 1.234 -9.504 -0.163 1.00 0.60 H new ATOM 0 HB2 GLN A 499 0.408 -11.235 -1.612 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.895 -10.672 -0.583 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -1.718 -9.249 -2.482 1.00 1.43 H new ATOM 0 HG3 GLN A 499 -0.469 -9.939 -3.499 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -3.494 -10.506 -1.816 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -3.874 -12.047 -2.591 1.00 2.58 H new ATOM 644 N MET A 500 1.103 -7.621 -2.769 1.00 0.54 N ATOM 645 CA MET A 500 1.919 -6.997 -3.796 1.00 0.63 C ATOM 646 C MET A 500 3.255 -6.561 -3.210 1.00 0.57 C ATOM 647 O MET A 500 4.316 -6.847 -3.768 1.00 0.58 O ATOM 648 CB MET A 500 1.200 -5.793 -4.411 1.00 0.80 C ATOM 649 CG MET A 500 2.052 -5.009 -5.401 1.00 1.26 C ATOM 650 SD MET A 500 1.214 -3.548 -6.046 1.00 1.91 S ATOM 651 CE MET A 500 2.512 -2.820 -7.041 1.00 2.52 C ATOM 0 H MET A 500 0.224 -7.140 -2.581 1.00 0.54 H new ATOM 0 HA MET A 500 2.094 -7.730 -4.583 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.298 -6.139 -4.916 1.00 0.80 H new ATOM 0 HB3 MET A 500 0.881 -5.125 -3.611 1.00 0.80 H new ATOM 0 HG2 MET A 500 2.978 -4.705 -4.914 1.00 1.26 H new ATOM 0 HG3 MET A 500 2.327 -5.660 -6.231 1.00 1.26 H new ATOM 0 HE1 MET A 500 2.144 -1.905 -7.506 1.00 2.52 H new ATOM 0 HE2 MET A 500 3.368 -2.586 -6.408 1.00 2.52 H new ATOM 0 HE3 MET A 500 2.815 -3.524 -7.815 1.00 2.52 H new ATOM 661 N LEU A 501 3.195 -5.881 -2.070 1.00 0.59 N ATOM 662 CA LEU A 501 4.400 -5.441 -1.385 1.00 0.65 C ATOM 663 C LEU A 501 5.124 -6.626 -0.772 1.00 0.56 C ATOM 664 O LEU A 501 6.350 -6.666 -0.745 1.00 0.62 O ATOM 665 CB LEU A 501 4.083 -4.442 -0.287 1.00 0.85 C ATOM 666 CG LEU A 501 3.174 -3.285 -0.688 1.00 1.30 C ATOM 667 CD1 LEU A 501 2.728 -2.528 0.548 1.00 2.09 C ATOM 668 CD2 LEU A 501 3.885 -2.356 -1.660 1.00 1.91 C ATOM 0 H LEU A 501 2.325 -5.624 -1.603 1.00 0.59 H new ATOM 0 HA LEU A 501 5.035 -4.959 -2.128 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.617 -4.976 0.541 1.00 0.85 H new ATOM 0 HB3 LEU A 501 5.021 -4.031 0.086 1.00 0.85 H new ATOM 0 HG LEU A 501 2.294 -3.687 -1.190 1.00 1.30 H new ATOM 0 HD11 LEU A 501 2.079 -1.703 0.255 1.00 2.09 H new ATOM 0 HD12 LEU A 501 2.183 -3.201 1.210 1.00 2.09 H new ATOM 0 HD13 LEU A 501 3.601 -2.135 1.069 1.00 2.09 H new ATOM 0 HD21 LEU A 501 3.219 -1.537 -1.934 1.00 1.91 H new ATOM 0 HD22 LEU A 501 4.781 -1.953 -1.188 1.00 1.91 H new ATOM 0 HD23 LEU A 501 4.165 -2.911 -2.555 1.00 1.91 H new ATOM 680 N VAL A 502 4.359 -7.585 -0.269 1.00 0.53 N ATOM 681 CA VAL A 502 4.941 -8.810 0.259 1.00 0.64 C ATOM 682 C VAL A 502 5.802 -9.475 -0.815 1.00 0.61 C ATOM 683 O VAL A 502 6.849 -10.043 -0.524 1.00 0.73 O ATOM 684 CB VAL A 502 3.852 -9.784 0.762 1.00 0.86 C ATOM 685 CG1 VAL A 502 4.462 -11.095 1.238 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.051 -9.139 1.885 1.00 1.02 C ATOM 0 H VAL A 502 3.341 -7.539 -0.216 1.00 0.53 H new ATOM 0 HA VAL A 502 5.566 -8.552 1.114 1.00 0.64 H new ATOM 0 HB VAL A 502 3.185 -10.006 -0.072 1.00 0.86 H new ATOM 0 HG11 VAL A 502 3.671 -11.759 1.586 1.00 1.11 H new ATOM 0 HG12 VAL A 502 4.997 -11.568 0.414 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.156 -10.898 2.055 1.00 1.11 H new ATOM 0 HG21 VAL A 502 2.286 -9.834 2.232 1.00 1.02 H new ATOM 0 HG22 VAL A 502 3.717 -8.891 2.711 1.00 1.02 H new ATOM 0 HG23 VAL A 502 2.575 -8.230 1.517 1.00 1.02 H new ATOM 696 N LYS A 503 5.364 -9.361 -2.064 1.00 0.58 N ATOM 697 CA LYS A 503 6.158 -9.818 -3.197 1.00 0.71 C ATOM 698 C LYS A 503 7.336 -8.879 -3.462 1.00 0.69 C ATOM 699 O LYS A 503 8.468 -9.332 -3.633 1.00 0.84 O ATOM 700 CB LYS A 503 5.303 -9.912 -4.463 1.00 0.88 C ATOM 701 CG LYS A 503 4.247 -11.002 -4.429 1.00 1.35 C ATOM 702 CD LYS A 503 3.468 -11.041 -5.735 1.00 1.44 C ATOM 703 CE LYS A 503 2.464 -12.181 -5.759 1.00 2.04 C ATOM 704 NZ LYS A 503 1.384 -12.004 -4.755 1.00 2.54 N ATOM 0 H LYS A 503 4.463 -8.956 -2.317 1.00 0.58 H new ATOM 0 HA LYS A 503 6.539 -10.807 -2.943 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.812 -8.953 -4.627 1.00 0.88 H new ATOM 0 HB3 LYS A 503 5.958 -10.085 -5.317 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.721 -11.968 -4.254 1.00 1.35 H new ATOM 0 HG3 LYS A 503 3.564 -10.827 -3.598 1.00 1.35 H new ATOM 0 HD2 LYS A 503 2.946 -10.094 -5.876 1.00 1.44 H new ATOM 0 HD3 LYS A 503 4.162 -11.150 -6.569 1.00 1.44 H new ATOM 0 HE2 LYS A 503 2.024 -12.253 -6.754 1.00 2.04 H new ATOM 0 HE3 LYS A 503 2.981 -13.122 -5.570 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 0.679 -12.761 -4.866 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 1.789 -12.046 -3.798 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 0.926 -11.081 -4.897 1.00 2.54 H new ATOM 718 N ILE A 504 7.067 -7.571 -3.479 1.00 0.62 N ATOM 719 CA ILE A 504 8.057 -6.593 -3.923 1.00 0.73 C ATOM 720 C ILE A 504 9.302 -6.587 -3.035 1.00 0.73 C ATOM 721 O ILE A 504 10.421 -6.433 -3.528 1.00 0.85 O ATOM 722 CB ILE A 504 7.468 -5.160 -4.041 1.00 0.87 C ATOM 723 CG1 ILE A 504 8.360 -4.296 -4.938 1.00 1.30 C ATOM 724 CG2 ILE A 504 7.305 -4.499 -2.678 1.00 1.34 C ATOM 725 CD1 ILE A 504 7.803 -2.911 -5.199 1.00 1.75 C ATOM 0 H ILE A 504 6.175 -7.168 -3.191 1.00 0.62 H new ATOM 0 HA ILE A 504 8.357 -6.910 -4.922 1.00 0.73 H new ATOM 0 HB ILE A 504 6.477 -5.248 -4.487 1.00 0.87 H new ATOM 0 HG12 ILE A 504 9.342 -4.202 -4.475 1.00 1.30 H new ATOM 0 HG13 ILE A 504 8.504 -4.805 -5.891 1.00 1.30 H new ATOM 0 HG21 ILE A 504 6.891 -3.499 -2.806 1.00 1.34 H new ATOM 0 HG22 ILE A 504 6.631 -5.095 -2.063 1.00 1.34 H new ATOM 0 HG23 ILE A 504 8.277 -4.429 -2.189 1.00 1.34 H new ATOM 0 HD11 ILE A 504 8.489 -2.358 -5.841 1.00 1.75 H new ATOM 0 HD12 ILE A 504 6.834 -2.995 -5.691 1.00 1.75 H new ATOM 0 HD13 ILE A 504 7.685 -2.382 -4.253 1.00 1.75 H new ATOM 737 N ILE A 505 9.116 -6.771 -1.735 1.00 0.71 N ATOM 738 CA ILE A 505 10.240 -6.801 -0.810 1.00 0.85 C ATOM 739 C ILE A 505 10.513 -8.220 -0.330 1.00 0.97 C ATOM 740 O ILE A 505 11.588 -8.492 0.202 1.00 1.20 O ATOM 741 CB ILE A 505 10.010 -5.883 0.414 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.757 -6.307 1.187 1.00 1.49 C ATOM 743 CG2 ILE A 505 9.909 -4.428 -0.023 1.00 1.83 C ATOM 744 CD1 ILE A 505 8.478 -5.462 2.413 1.00 2.19 C ATOM 745 OXT ILE A 505 9.613 -9.080 -0.481 1.00 1.58 O ATOM 0 H ILE A 505 8.203 -6.901 -1.299 1.00 0.71 H new ATOM 0 HA ILE A 505 11.105 -6.430 -1.360 1.00 0.85 H new ATOM 0 HB ILE A 505 10.866 -5.983 1.082 1.00 1.10 H new ATOM 0 HG12 ILE A 505 7.896 -6.258 0.520 1.00 1.49 H new ATOM 0 HG13 ILE A 505 8.865 -7.348 1.492 1.00 1.49 H new ATOM 0 HG21 ILE A 505 9.747 -3.796 0.850 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.833 -4.132 -0.519 1.00 1.83 H new ATOM 0 HG23 ILE A 505 9.074 -4.313 -0.714 1.00 1.83 H new ATOM 0 HD11 ILE A 505 7.576 -5.824 2.906 1.00 2.19 H new ATOM 0 HD12 ILE A 505 9.320 -5.530 3.101 1.00 2.19 H new ATOM 0 HD13 ILE A 505 8.337 -4.423 2.114 1.00 2.19 H new TER 757 ILE A 505