USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 417 SER OG : rot -81:sc= 0.767 USER MOD Set 1.2: A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 416 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0212) USER MOD Single : A 432 ASN : amide:sc= 0.0091 X(o=0.0091,f=0) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0.00383 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 THR OG1 : rot -22:sc= 0.128 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot -43:sc= 0.0253 USER MOD Single : A 449 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 85:sc= 0.306 USER MOD Single : A 460 LYS NZ :NH3+ 166:sc=-0.00356 (180deg=-0.088) USER MOD Single : A 461 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 464 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -17.795 1.358 -9.044 1.00 24.25 N ATOM 2 CA GLU A 414 -16.624 1.670 -9.856 1.00 53.24 C ATOM 3 C GLU A 414 -15.832 2.823 -9.245 1.00 41.33 C ATOM 4 O GLU A 414 -14.609 2.885 -9.371 1.00 12.51 O ATOM 5 CB GLU A 414 -17.046 2.027 -11.283 1.00 12.01 C ATOM 6 CG GLU A 414 -16.838 0.898 -12.278 1.00 43.01 C ATOM 7 CD GLU A 414 -17.283 1.267 -13.680 1.00 73.41 C ATOM 8 OE1 GLU A 414 -18.492 1.512 -13.875 1.00 74.00 O ATOM 9 OE2 GLU A 414 -16.421 1.312 -14.584 1.00 32.24 O ATOM 0 HA GLU A 414 -15.986 0.787 -9.884 1.00 53.24 H new ATOM 0 HB2 GLU A 414 -18.099 2.310 -11.282 1.00 12.01 H new ATOM 0 HB3 GLU A 414 -16.482 2.899 -11.613 1.00 12.01 H new ATOM 0 HG2 GLU A 414 -15.783 0.624 -12.296 1.00 43.01 H new ATOM 0 HG3 GLU A 414 -17.390 0.019 -11.945 1.00 43.01 H new ATOM 16 N ALA A 415 -16.539 3.735 -8.585 1.00 10.42 N ATOM 17 CA ALA A 415 -15.902 4.884 -7.954 1.00 53.42 C ATOM 18 C ALA A 415 -15.252 4.494 -6.630 1.00 71.44 C ATOM 19 O ALA A 415 -14.573 5.304 -5.999 1.00 35.40 O ATOM 20 CB ALA A 415 -16.918 5.997 -7.737 1.00 4.04 C ATOM 0 H ALA A 415 -17.552 3.700 -8.474 1.00 10.42 H new ATOM 0 HA ALA A 415 -15.119 5.245 -8.621 1.00 53.42 H new ATOM 0 HB1 ALA A 415 -16.429 6.849 -7.265 1.00 4.04 H new ATOM 0 HB2 ALA A 415 -17.333 6.303 -8.697 1.00 4.04 H new ATOM 0 HB3 ALA A 415 -17.720 5.637 -7.093 1.00 4.04 H new ATOM 26 N SER A 416 -15.464 3.249 -6.218 1.00 10.24 N ATOM 27 CA SER A 416 -14.902 2.753 -4.966 1.00 25.44 C ATOM 28 C SER A 416 -13.471 2.263 -5.171 1.00 54.51 C ATOM 29 O SER A 416 -12.687 2.191 -4.224 1.00 45.23 O ATOM 30 CB SER A 416 -15.765 1.620 -4.408 1.00 73.01 C ATOM 31 OG SER A 416 -17.005 1.542 -5.088 1.00 72.52 O ATOM 0 H SER A 416 -16.020 2.565 -6.731 1.00 10.24 H new ATOM 0 HA SER A 416 -14.889 3.576 -4.251 1.00 25.44 H new ATOM 0 HB2 SER A 416 -15.234 0.673 -4.504 1.00 73.01 H new ATOM 0 HB3 SER A 416 -15.939 1.781 -3.344 1.00 73.01 H new ATOM 0 HG SER A 416 -17.538 0.809 -4.714 1.00 72.52 H new ATOM 37 N SER A 417 -13.138 1.928 -6.413 1.00 13.10 N ATOM 38 CA SER A 417 -11.803 1.442 -6.742 1.00 75.25 C ATOM 39 C SER A 417 -10.759 2.532 -6.522 1.00 3.35 C ATOM 40 O SER A 417 -9.601 2.245 -6.214 1.00 45.41 O ATOM 41 CB SER A 417 -11.757 0.961 -8.193 1.00 25.43 C ATOM 42 OG SER A 417 -11.846 2.050 -9.095 1.00 21.22 O ATOM 0 H SER A 417 -13.774 1.984 -7.208 1.00 13.10 H new ATOM 0 HA SER A 417 -11.574 0.606 -6.082 1.00 75.25 H new ATOM 0 HB2 SER A 417 -10.831 0.414 -8.369 1.00 25.43 H new ATOM 0 HB3 SER A 417 -12.577 0.266 -8.375 1.00 25.43 H new ATOM 0 HG SER A 417 -12.784 2.315 -9.196 1.00 21.22 H new ATOM 48 N THR A 418 -11.175 3.784 -6.681 1.00 34.14 N ATOM 49 CA THR A 418 -10.278 4.918 -6.500 1.00 65.40 C ATOM 50 C THR A 418 -10.089 5.240 -5.023 1.00 52.52 C ATOM 51 O THR A 418 -9.104 5.867 -4.635 1.00 64.43 O ATOM 52 CB THR A 418 -10.802 6.171 -7.225 1.00 35.34 C ATOM 53 OG1 THR A 418 -11.224 5.830 -8.551 1.00 12.33 O ATOM 54 CG2 THR A 418 -9.730 7.248 -7.291 1.00 2.54 C ATOM 0 H THR A 418 -12.129 4.039 -6.935 1.00 34.14 H new ATOM 0 HA THR A 418 -9.319 4.633 -6.932 1.00 65.40 H new ATOM 0 HB THR A 418 -11.651 6.560 -6.662 1.00 35.34 H new ATOM 0 HG1 THR A 418 -11.557 6.632 -9.005 1.00 12.33 H new ATOM 0 HG21 THR A 418 -10.125 8.123 -7.808 1.00 2.54 H new ATOM 0 HG22 THR A 418 -9.432 7.527 -6.280 1.00 2.54 H new ATOM 0 HG23 THR A 418 -8.864 6.867 -7.832 1.00 2.54 H new ATOM 62 N ALA A 419 -11.040 4.808 -4.202 1.00 0.34 N ATOM 63 CA ALA A 419 -10.977 5.048 -2.765 1.00 52.22 C ATOM 64 C ALA A 419 -9.684 4.498 -2.172 1.00 21.42 C ATOM 65 O ALA A 419 -9.191 4.999 -1.161 1.00 63.33 O ATOM 66 CB ALA A 419 -12.183 4.431 -2.072 1.00 63.40 C ATOM 0 H ALA A 419 -11.864 4.290 -4.507 1.00 0.34 H new ATOM 0 HA ALA A 419 -10.991 6.126 -2.602 1.00 52.22 H new ATOM 0 HB1 ALA A 419 -12.122 4.618 -1.000 1.00 63.40 H new ATOM 0 HB2 ALA A 419 -13.096 4.876 -2.467 1.00 63.40 H new ATOM 0 HB3 ALA A 419 -12.196 3.356 -2.252 1.00 63.40 H new ATOM 72 N ILE A 420 -9.142 3.464 -2.806 1.00 41.31 N ATOM 73 CA ILE A 420 -7.906 2.845 -2.341 1.00 55.14 C ATOM 74 C ILE A 420 -6.686 3.617 -2.832 1.00 71.53 C ATOM 75 O ILE A 420 -5.587 3.467 -2.298 1.00 71.51 O ATOM 76 CB ILE A 420 -7.798 1.382 -2.810 1.00 42.50 C ATOM 77 CG1 ILE A 420 -9.029 0.590 -2.369 1.00 13.14 C ATOM 78 CG2 ILE A 420 -6.528 0.746 -2.266 1.00 4.24 C ATOM 79 CD1 ILE A 420 -10.173 0.650 -3.356 1.00 72.34 C ATOM 0 H ILE A 420 -9.539 3.037 -3.643 1.00 41.31 H new ATOM 0 HA ILE A 420 -7.932 2.867 -1.252 1.00 55.14 H new ATOM 0 HB ILE A 420 -7.752 1.366 -3.899 1.00 42.50 H new ATOM 0 HG12 ILE A 420 -8.745 -0.451 -2.217 1.00 13.14 H new ATOM 0 HG13 ILE A 420 -9.370 0.971 -1.406 1.00 13.14 H new ATOM 0 HG21 ILE A 420 -6.465 -0.288 -2.605 1.00 4.24 H new ATOM 0 HG22 ILE A 420 -5.661 1.300 -2.626 1.00 4.24 H new ATOM 0 HG23 ILE A 420 -6.547 0.770 -1.176 1.00 4.24 H new ATOM 0 HD11 ILE A 420 -11.012 0.066 -2.977 1.00 72.34 H new ATOM 0 HD12 ILE A 420 -10.484 1.686 -3.490 1.00 72.34 H new ATOM 0 HD13 ILE A 420 -9.849 0.241 -4.313 1.00 72.34 H new ATOM 91 N ARG A 421 -6.889 4.445 -3.853 1.00 43.40 N ATOM 92 CA ARG A 421 -5.805 5.242 -4.416 1.00 4.03 C ATOM 93 C ARG A 421 -5.073 6.015 -3.323 1.00 15.01 C ATOM 94 O ARG A 421 -3.859 6.202 -3.388 1.00 1.42 O ATOM 95 CB ARG A 421 -6.350 6.212 -5.466 1.00 1.31 C ATOM 96 CG ARG A 421 -5.271 6.838 -6.335 1.00 1.15 C ATOM 97 CD ARG A 421 -5.597 8.283 -6.674 1.00 55.51 C ATOM 98 NE ARG A 421 -6.311 8.399 -7.943 1.00 40.33 N ATOM 99 CZ ARG A 421 -6.765 9.550 -8.428 1.00 33.04 C ATOM 100 NH1 ARG A 421 -6.582 10.677 -7.753 1.00 30.14 N ATOM 101 NH2 ARG A 421 -7.404 9.575 -9.591 1.00 33.25 N ATOM 0 H ARG A 421 -7.793 4.581 -4.306 1.00 43.40 H new ATOM 0 HA ARG A 421 -5.097 4.563 -4.891 1.00 4.03 H new ATOM 0 HB2 ARG A 421 -7.057 5.683 -6.105 1.00 1.31 H new ATOM 0 HB3 ARG A 421 -6.905 7.004 -4.963 1.00 1.31 H new ATOM 0 HG2 ARG A 421 -4.313 6.792 -5.817 1.00 1.15 H new ATOM 0 HG3 ARG A 421 -5.164 6.263 -7.255 1.00 1.15 H new ATOM 0 HD2 ARG A 421 -6.202 8.715 -5.877 1.00 55.51 H new ATOM 0 HD3 ARG A 421 -4.674 8.861 -6.723 1.00 55.51 H new ATOM 0 HE ARG A 421 -6.470 7.551 -8.486 1.00 40.33 H new ATOM 0 HH11 ARG A 421 -6.092 10.662 -6.859 1.00 30.14 H new ATOM 0 HH12 ARG A 421 -6.932 11.559 -8.128 1.00 30.14 H new ATOM 0 HH21 ARG A 421 -7.547 8.710 -10.113 1.00 33.25 H new ATOM 0 HH22 ARG A 421 -7.752 10.459 -9.963 1.00 33.25 H new ATOM 115 N ALA A 422 -5.823 6.464 -2.320 1.00 22.21 N ATOM 116 CA ALA A 422 -5.246 7.216 -1.213 1.00 3.22 C ATOM 117 C ALA A 422 -4.587 6.285 -0.201 1.00 32.34 C ATOM 118 O ALA A 422 -3.644 6.670 0.491 1.00 64.33 O ATOM 119 CB ALA A 422 -6.314 8.063 -0.537 1.00 33.12 C ATOM 0 H ALA A 422 -6.830 6.320 -2.252 1.00 22.21 H new ATOM 0 HA ALA A 422 -4.477 7.875 -1.616 1.00 3.22 H new ATOM 0 HB1 ALA A 422 -5.869 8.619 0.288 1.00 33.12 H new ATOM 0 HB2 ALA A 422 -6.736 8.761 -1.260 1.00 33.12 H new ATOM 0 HB3 ALA A 422 -7.103 7.416 -0.154 1.00 33.12 H new ATOM 125 N LEU A 423 -5.091 5.058 -0.118 1.00 12.44 N ATOM 126 CA LEU A 423 -4.552 4.071 0.811 1.00 52.40 C ATOM 127 C LEU A 423 -3.084 3.786 0.511 1.00 11.42 C ATOM 128 O LEU A 423 -2.245 3.777 1.413 1.00 60.23 O ATOM 129 CB LEU A 423 -5.360 2.774 0.735 1.00 55.43 C ATOM 130 CG LEU A 423 -6.237 2.459 1.947 1.00 12.11 C ATOM 131 CD1 LEU A 423 -5.386 1.973 3.110 1.00 21.12 C ATOM 132 CD2 LEU A 423 -7.048 3.682 2.353 1.00 21.22 C ATOM 0 H LEU A 423 -5.872 4.723 -0.683 1.00 12.44 H new ATOM 0 HA LEU A 423 -4.626 4.479 1.819 1.00 52.40 H new ATOM 0 HB2 LEU A 423 -5.997 2.817 -0.148 1.00 55.43 H new ATOM 0 HB3 LEU A 423 -4.667 1.946 0.588 1.00 55.43 H new ATOM 0 HG LEU A 423 -6.930 1.664 1.672 1.00 12.11 H new ATOM 0 HD11 LEU A 423 -6.027 1.754 3.964 1.00 21.12 H new ATOM 0 HD12 LEU A 423 -4.851 1.070 2.817 1.00 21.12 H new ATOM 0 HD13 LEU A 423 -4.669 2.747 3.384 1.00 21.12 H new ATOM 0 HD21 LEU A 423 -7.666 3.438 3.217 1.00 21.22 H new ATOM 0 HD22 LEU A 423 -6.372 4.498 2.609 1.00 21.22 H new ATOM 0 HD23 LEU A 423 -7.687 3.986 1.524 1.00 21.22 H new ATOM 144 N VAL A 424 -2.778 3.556 -0.762 1.00 53.33 N ATOM 145 CA VAL A 424 -1.412 3.275 -1.182 1.00 4.31 C ATOM 146 C VAL A 424 -0.507 4.481 -0.954 1.00 2.21 C ATOM 147 O VAL A 424 0.718 4.363 -0.962 1.00 2.03 O ATOM 148 CB VAL A 424 -1.351 2.875 -2.668 1.00 55.31 C ATOM 149 CG1 VAL A 424 0.067 2.488 -3.061 1.00 52.22 C ATOM 150 CG2 VAL A 424 -2.320 1.738 -2.953 1.00 73.54 C ATOM 0 H VAL A 424 -3.460 3.559 -1.521 1.00 53.33 H new ATOM 0 HA VAL A 424 -1.061 2.441 -0.575 1.00 4.31 H new ATOM 0 HB VAL A 424 -1.647 3.735 -3.269 1.00 55.31 H new ATOM 0 HG11 VAL A 424 0.089 2.209 -4.114 1.00 52.22 H new ATOM 0 HG12 VAL A 424 0.734 3.334 -2.896 1.00 52.22 H new ATOM 0 HG13 VAL A 424 0.395 1.644 -2.455 1.00 52.22 H new ATOM 0 HG21 VAL A 424 -2.264 1.468 -4.008 1.00 73.54 H new ATOM 0 HG22 VAL A 424 -2.057 0.874 -2.343 1.00 73.54 H new ATOM 0 HG23 VAL A 424 -3.335 2.056 -2.713 1.00 73.54 H new ATOM 160 N LYS A 425 -1.119 5.643 -0.751 1.00 21.44 N ATOM 161 CA LYS A 425 -0.370 6.872 -0.519 1.00 34.20 C ATOM 162 C LYS A 425 0.095 6.960 0.931 1.00 10.25 C ATOM 163 O LYS A 425 1.099 7.606 1.234 1.00 31.35 O ATOM 164 CB LYS A 425 -1.231 8.090 -0.865 1.00 3.24 C ATOM 165 CG LYS A 425 -0.516 9.115 -1.727 1.00 4.32 C ATOM 166 CD LYS A 425 0.739 9.638 -1.046 1.00 60.53 C ATOM 167 CE LYS A 425 1.274 10.879 -1.743 1.00 51.51 C ATOM 168 NZ LYS A 425 1.296 12.060 -0.835 1.00 23.24 N ATOM 0 H LYS A 425 -2.132 5.759 -0.743 1.00 21.44 H new ATOM 0 HA LYS A 425 0.509 6.860 -1.164 1.00 34.20 H new ATOM 0 HB2 LYS A 425 -2.129 7.754 -1.384 1.00 3.24 H new ATOM 0 HB3 LYS A 425 -1.557 8.568 0.059 1.00 3.24 H new ATOM 0 HG2 LYS A 425 -0.251 8.666 -2.684 1.00 4.32 H new ATOM 0 HG3 LYS A 425 -1.189 9.946 -1.940 1.00 4.32 H new ATOM 0 HD2 LYS A 425 0.519 9.871 -0.004 1.00 60.53 H new ATOM 0 HD3 LYS A 425 1.504 8.862 -1.045 1.00 60.53 H new ATOM 0 HE2 LYS A 425 2.282 10.684 -2.109 1.00 51.51 H new ATOM 0 HE3 LYS A 425 0.656 11.101 -2.613 1.00 51.51 H new ATOM 0 HZ1 LYS A 425 1.667 12.885 -1.348 1.00 23.24 H new ATOM 0 HZ2 LYS A 425 0.331 12.262 -0.505 1.00 23.24 H new ATOM 0 HZ3 LYS A 425 1.906 11.858 -0.017 1.00 23.24 H new ATOM 182 N LYS A 426 -0.640 6.306 1.824 1.00 13.32 N ATOM 183 CA LYS A 426 -0.301 6.309 3.243 1.00 33.51 C ATOM 184 C LYS A 426 0.946 5.471 3.505 1.00 43.33 C ATOM 185 O LYS A 426 1.803 5.851 4.305 1.00 21.13 O ATOM 186 CB LYS A 426 -1.473 5.770 4.068 1.00 0.11 C ATOM 187 CG LYS A 426 -1.971 6.742 5.123 1.00 51.30 C ATOM 188 CD LYS A 426 -3.351 6.356 5.630 1.00 62.34 C ATOM 189 CE LYS A 426 -3.979 7.477 6.443 1.00 53.21 C ATOM 190 NZ LYS A 426 -3.159 7.824 7.636 1.00 3.21 N ATOM 0 H LYS A 426 -1.474 5.767 1.591 1.00 13.32 H new ATOM 0 HA LYS A 426 -0.096 7.337 3.541 1.00 33.51 H new ATOM 0 HB2 LYS A 426 -2.295 5.522 3.397 1.00 0.11 H new ATOM 0 HB3 LYS A 426 -1.168 4.843 4.554 1.00 0.11 H new ATOM 0 HG2 LYS A 426 -1.270 6.766 5.957 1.00 51.30 H new ATOM 0 HG3 LYS A 426 -2.004 7.748 4.705 1.00 51.30 H new ATOM 0 HD2 LYS A 426 -3.995 6.113 4.785 1.00 62.34 H new ATOM 0 HD3 LYS A 426 -3.277 5.458 6.243 1.00 62.34 H new ATOM 0 HE2 LYS A 426 -4.097 8.360 5.814 1.00 53.21 H new ATOM 0 HE3 LYS A 426 -4.977 7.178 6.763 1.00 53.21 H new ATOM 0 HZ1 LYS A 426 -3.662 8.532 8.209 1.00 3.21 H new ATOM 0 HZ2 LYS A 426 -2.996 6.969 8.206 1.00 3.21 H new ATOM 0 HZ3 LYS A 426 -2.245 8.214 7.328 1.00 3.21 H new ATOM 204 N LEU A 427 1.044 4.334 2.827 1.00 62.31 N ATOM 205 CA LEU A 427 2.189 3.444 2.985 1.00 12.30 C ATOM 206 C LEU A 427 3.414 3.999 2.265 1.00 41.11 C ATOM 207 O LEU A 427 4.545 3.826 2.721 1.00 11.00 O ATOM 208 CB LEU A 427 1.855 2.051 2.448 1.00 10.24 C ATOM 209 CG LEU A 427 1.364 1.989 1.002 1.00 70.14 C ATOM 210 CD1 LEU A 427 2.540 1.944 0.040 1.00 2.41 C ATOM 211 CD2 LEU A 427 0.459 0.783 0.798 1.00 51.11 C ATOM 0 H LEU A 427 0.344 4.006 2.162 1.00 62.31 H new ATOM 0 HA LEU A 427 2.418 3.372 4.048 1.00 12.30 H new ATOM 0 HB2 LEU A 427 2.744 1.427 2.536 1.00 10.24 H new ATOM 0 HB3 LEU A 427 1.092 1.610 3.089 1.00 10.24 H new ATOM 0 HG LEU A 427 0.787 2.890 0.795 1.00 70.14 H new ATOM 0 HD11 LEU A 427 2.171 1.900 -0.985 1.00 2.41 H new ATOM 0 HD12 LEU A 427 3.149 2.839 0.168 1.00 2.41 H new ATOM 0 HD13 LEU A 427 3.145 1.061 0.246 1.00 2.41 H new ATOM 0 HD21 LEU A 427 0.119 0.755 -0.237 1.00 51.11 H new ATOM 0 HD22 LEU A 427 1.012 -0.129 1.023 1.00 51.11 H new ATOM 0 HD23 LEU A 427 -0.403 0.858 1.461 1.00 51.11 H new ATOM 223 N ILE A 428 3.181 4.667 1.141 1.00 54.42 N ATOM 224 CA ILE A 428 4.264 5.251 0.361 1.00 22.22 C ATOM 225 C ILE A 428 4.734 6.567 0.970 1.00 44.12 C ATOM 226 O ILE A 428 5.911 6.919 0.882 1.00 74.12 O ATOM 227 CB ILE A 428 3.838 5.497 -1.099 1.00 3.11 C ATOM 228 CG1 ILE A 428 4.078 4.243 -1.941 1.00 25.34 C ATOM 229 CG2 ILE A 428 4.595 6.683 -1.679 1.00 15.41 C ATOM 230 CD1 ILE A 428 2.959 3.944 -2.913 1.00 64.25 C ATOM 0 H ILE A 428 2.251 4.817 0.750 1.00 54.42 H new ATOM 0 HA ILE A 428 5.085 4.534 0.376 1.00 22.22 H new ATOM 0 HB ILE A 428 2.773 5.726 -1.117 1.00 3.11 H new ATOM 0 HG12 ILE A 428 5.009 4.361 -2.496 1.00 25.34 H new ATOM 0 HG13 ILE A 428 4.209 3.389 -1.277 1.00 25.34 H new ATOM 0 HG21 ILE A 428 4.283 6.844 -2.711 1.00 15.41 H new ATOM 0 HG22 ILE A 428 4.379 7.575 -1.091 1.00 15.41 H new ATOM 0 HG23 ILE A 428 5.666 6.480 -1.651 1.00 15.41 H new ATOM 0 HD11 ILE A 428 3.197 3.042 -3.476 1.00 64.25 H new ATOM 0 HD12 ILE A 428 2.030 3.794 -2.363 1.00 64.25 H new ATOM 0 HD13 ILE A 428 2.842 4.781 -3.602 1.00 64.25 H new ATOM 242 N ALA A 429 3.807 7.290 1.590 1.00 50.11 N ATOM 243 CA ALA A 429 4.127 8.566 2.218 1.00 13.11 C ATOM 244 C ALA A 429 5.337 8.438 3.136 1.00 73.00 C ATOM 245 O ALA A 429 6.319 9.165 2.990 1.00 54.23 O ATOM 246 CB ALA A 429 2.926 9.088 2.994 1.00 71.24 C ATOM 0 H ALA A 429 2.828 7.014 1.671 1.00 50.11 H new ATOM 0 HA ALA A 429 4.375 9.278 1.431 1.00 13.11 H new ATOM 0 HB1 ALA A 429 3.179 10.041 3.458 1.00 71.24 H new ATOM 0 HB2 ALA A 429 2.086 9.227 2.314 1.00 71.24 H new ATOM 0 HB3 ALA A 429 2.652 8.370 3.767 1.00 71.24 H new ATOM 252 N ALA A 430 5.259 7.509 4.084 1.00 44.24 N ATOM 253 CA ALA A 430 6.349 7.285 5.025 1.00 41.50 C ATOM 254 C ALA A 430 7.254 6.150 4.558 1.00 42.43 C ATOM 255 O ALA A 430 7.537 5.219 5.311 1.00 51.33 O ATOM 256 CB ALA A 430 5.797 6.986 6.411 1.00 62.10 C ATOM 0 H ALA A 430 4.452 6.900 4.220 1.00 44.24 H new ATOM 0 HA ALA A 430 6.947 8.195 5.072 1.00 41.50 H new ATOM 0 HB1 ALA A 430 6.622 6.821 7.104 1.00 62.10 H new ATOM 0 HB2 ALA A 430 5.199 7.830 6.754 1.00 62.10 H new ATOM 0 HB3 ALA A 430 5.174 6.093 6.370 1.00 62.10 H new ATOM 262 N GLU A 431 7.705 6.234 3.310 1.00 34.32 N ATOM 263 CA GLU A 431 8.576 5.212 2.743 1.00 61.41 C ATOM 264 C GLU A 431 10.018 5.706 2.669 1.00 63.24 C ATOM 265 O GLU A 431 10.277 6.838 2.263 1.00 13.22 O ATOM 266 CB GLU A 431 8.090 4.813 1.348 1.00 43.03 C ATOM 267 CG GLU A 431 8.494 5.794 0.259 1.00 32.44 C ATOM 268 CD GLU A 431 9.860 5.488 -0.324 1.00 22.50 C ATOM 269 OE1 GLU A 431 10.047 4.365 -0.838 1.00 63.22 O ATOM 270 OE2 GLU A 431 10.741 6.370 -0.267 1.00 51.11 O ATOM 0 H GLU A 431 7.482 6.999 2.673 1.00 34.32 H new ATOM 0 HA GLU A 431 8.542 4.339 3.395 1.00 61.41 H new ATOM 0 HB2 GLU A 431 8.486 3.827 1.103 1.00 43.03 H new ATOM 0 HB3 GLU A 431 7.004 4.726 1.362 1.00 43.03 H new ATOM 0 HG2 GLU A 431 7.750 5.773 -0.538 1.00 32.44 H new ATOM 0 HG3 GLU A 431 8.496 6.804 0.668 1.00 32.44 H new ATOM 277 N ASN A 432 10.952 4.848 3.065 1.00 42.43 N ATOM 278 CA ASN A 432 12.368 5.198 3.046 1.00 11.12 C ATOM 279 C ASN A 432 13.238 3.955 3.219 1.00 71.34 C ATOM 280 O ASN A 432 13.918 3.779 4.229 1.00 62.31 O ATOM 281 CB ASN A 432 12.681 6.209 4.150 1.00 51.11 C ATOM 282 CG ASN A 432 13.766 7.189 3.748 1.00 65.31 C ATOM 283 OD1 ASN A 432 13.494 8.359 3.481 1.00 32.00 O ATOM 284 ND2 ASN A 432 15.005 6.713 3.701 1.00 11.23 N ATOM 0 H ASN A 432 10.755 3.906 3.403 1.00 42.43 H new ATOM 0 HA ASN A 432 12.592 5.646 2.078 1.00 11.12 H new ATOM 0 HB2 ASN A 432 11.774 6.759 4.403 1.00 51.11 H new ATOM 0 HB3 ASN A 432 12.992 5.676 5.049 1.00 51.11 H new ATOM 0 HD21 ASN A 432 15.777 7.325 3.435 1.00 11.23 H new ATOM 0 HD22 ASN A 432 15.185 5.736 3.931 1.00 11.23 H new ATOM 291 N PRO A 433 13.216 3.073 2.208 1.00 14.10 N ATOM 292 CA PRO A 433 13.996 1.832 2.223 1.00 50.53 C ATOM 293 C PRO A 433 15.494 2.089 2.096 1.00 55.43 C ATOM 294 O PRO A 433 16.291 1.564 2.872 1.00 11.12 O ATOM 295 CB PRO A 433 13.478 1.072 1.000 1.00 51.03 C ATOM 296 CG PRO A 433 12.964 2.131 0.086 1.00 4.32 C ATOM 297 CD PRO A 433 12.426 3.219 0.973 1.00 42.23 C ATOM 0 HA PRO A 433 13.879 1.288 3.160 1.00 50.53 H new ATOM 0 HB2 PRO A 433 14.272 0.493 0.528 1.00 51.03 H new ATOM 0 HB3 PRO A 433 12.691 0.370 1.274 1.00 51.03 H new ATOM 0 HG2 PRO A 433 13.758 2.510 -0.558 1.00 4.32 H new ATOM 0 HG3 PRO A 433 12.184 1.738 -0.567 1.00 4.32 H new ATOM 0 HD2 PRO A 433 12.558 4.204 0.526 1.00 42.23 H new ATOM 0 HD3 PRO A 433 11.360 3.094 1.161 1.00 42.23 H new ATOM 305 N ALA A 434 15.870 2.900 1.113 1.00 74.05 N ATOM 306 CA ALA A 434 17.271 3.228 0.887 1.00 64.33 C ATOM 307 C ALA A 434 18.019 2.049 0.274 1.00 4.01 C ATOM 308 O ALA A 434 18.374 2.069 -0.905 1.00 75.52 O ATOM 309 CB ALA A 434 17.931 3.654 2.189 1.00 11.53 C ATOM 0 H ALA A 434 15.223 3.342 0.460 1.00 74.05 H new ATOM 0 HA ALA A 434 17.314 4.058 0.182 1.00 64.33 H new ATOM 0 HB1 ALA A 434 18.978 3.896 2.004 1.00 11.53 H new ATOM 0 HB2 ALA A 434 17.420 4.531 2.586 1.00 11.53 H new ATOM 0 HB3 ALA A 434 17.869 2.840 2.912 1.00 11.53 H new ATOM 315 N LYS A 435 18.256 1.021 1.081 1.00 2.13 N ATOM 316 CA LYS A 435 18.962 -0.169 0.620 1.00 34.24 C ATOM 317 C LYS A 435 18.023 -1.092 -0.151 1.00 0.24 C ATOM 318 O LYS A 435 18.226 -1.376 -1.332 1.00 35.34 O ATOM 319 CB LYS A 435 19.571 -0.919 1.807 1.00 51.44 C ATOM 320 CG LYS A 435 21.067 -0.704 1.958 1.00 23.14 C ATOM 321 CD LYS A 435 21.590 -1.312 3.249 1.00 72.21 C ATOM 322 CE LYS A 435 22.261 -0.265 4.125 1.00 24.05 C ATOM 323 NZ LYS A 435 23.683 -0.047 3.737 1.00 71.23 N ATOM 0 H LYS A 435 17.969 0.988 2.059 1.00 2.13 H new ATOM 0 HA LYS A 435 19.762 0.149 -0.049 1.00 34.24 H new ATOM 0 HB2 LYS A 435 19.072 -0.600 2.722 1.00 51.44 H new ATOM 0 HB3 LYS A 435 19.375 -1.985 1.692 1.00 51.44 H new ATOM 0 HG2 LYS A 435 21.587 -1.148 1.109 1.00 23.14 H new ATOM 0 HG3 LYS A 435 21.285 0.364 1.943 1.00 23.14 H new ATOM 0 HD2 LYS A 435 20.767 -1.772 3.796 1.00 72.21 H new ATOM 0 HD3 LYS A 435 22.301 -2.105 3.017 1.00 72.21 H new ATOM 0 HE2 LYS A 435 21.715 0.676 4.050 1.00 24.05 H new ATOM 0 HE3 LYS A 435 22.213 -0.579 5.168 1.00 24.05 H new ATOM 0 HZ1 LYS A 435 24.106 0.673 4.357 1.00 71.23 H new ATOM 0 HZ2 LYS A 435 24.210 -0.939 3.833 1.00 71.23 H new ATOM 0 HZ3 LYS A 435 23.728 0.277 2.750 1.00 71.23 H new ATOM 337 N PRO A 436 16.972 -1.572 0.530 1.00 50.41 N ATOM 338 CA PRO A 436 15.982 -2.469 -0.072 1.00 54.32 C ATOM 339 C PRO A 436 15.113 -1.762 -1.107 1.00 0.24 C ATOM 340 O PRO A 436 15.240 -0.555 -1.320 1.00 45.40 O ATOM 341 CB PRO A 436 15.134 -2.915 1.123 1.00 52.13 C ATOM 342 CG PRO A 436 15.278 -1.818 2.120 1.00 45.15 C ATOM 343 CD PRO A 436 16.670 -1.275 1.941 1.00 63.02 C ATOM 0 HA PRO A 436 16.452 -3.292 -0.610 1.00 54.32 H new ATOM 0 HB2 PRO A 436 14.092 -3.056 0.838 1.00 52.13 H new ATOM 0 HB3 PRO A 436 15.486 -3.865 1.526 1.00 52.13 H new ATOM 0 HG2 PRO A 436 14.532 -1.041 1.955 1.00 45.15 H new ATOM 0 HG3 PRO A 436 15.132 -2.191 3.134 1.00 45.15 H new ATOM 0 HD2 PRO A 436 16.714 -0.205 2.145 1.00 63.02 H new ATOM 0 HD3 PRO A 436 17.379 -1.757 2.614 1.00 63.02 H new ATOM 351 N LEU A 437 14.229 -2.519 -1.747 1.00 22.32 N ATOM 352 CA LEU A 437 13.337 -1.964 -2.760 1.00 5.41 C ATOM 353 C LEU A 437 12.020 -1.513 -2.138 1.00 52.52 C ATOM 354 O LEU A 437 11.626 -1.994 -1.076 1.00 41.20 O ATOM 355 CB LEU A 437 13.069 -3.000 -3.854 1.00 5.52 C ATOM 356 CG LEU A 437 14.287 -3.777 -4.356 1.00 51.04 C ATOM 357 CD1 LEU A 437 14.216 -5.228 -3.908 1.00 24.40 C ATOM 358 CD2 LEU A 437 14.389 -3.687 -5.872 1.00 30.35 C ATOM 0 H LEU A 437 14.110 -3.519 -1.583 1.00 22.32 H new ATOM 0 HA LEU A 437 13.825 -1.095 -3.202 1.00 5.41 H new ATOM 0 HB2 LEU A 437 12.337 -3.715 -3.478 1.00 5.52 H new ATOM 0 HB3 LEU A 437 12.612 -2.492 -4.703 1.00 5.52 H new ATOM 0 HG LEU A 437 15.183 -3.330 -3.925 1.00 51.04 H new ATOM 0 HD11 LEU A 437 15.091 -5.765 -4.274 1.00 24.40 H new ATOM 0 HD12 LEU A 437 14.193 -5.272 -2.819 1.00 24.40 H new ATOM 0 HD13 LEU A 437 13.313 -5.689 -4.309 1.00 24.40 H new ATOM 0 HD21 LEU A 437 15.261 -4.245 -6.212 1.00 30.35 H new ATOM 0 HD22 LEU A 437 13.490 -4.108 -6.323 1.00 30.35 H new ATOM 0 HD23 LEU A 437 14.489 -2.643 -6.169 1.00 30.35 H new ATOM 370 N SER A 438 11.342 -0.586 -2.808 1.00 3.22 N ATOM 371 CA SER A 438 10.070 -0.067 -2.320 1.00 21.13 C ATOM 372 C SER A 438 9.109 -1.206 -1.993 1.00 45.12 C ATOM 373 O SER A 438 9.356 -2.361 -2.341 1.00 52.22 O ATOM 374 CB SER A 438 9.441 0.862 -3.360 1.00 22.11 C ATOM 375 OG SER A 438 9.621 0.356 -4.671 1.00 64.20 O ATOM 0 H SER A 438 11.653 -0.179 -3.690 1.00 3.22 H new ATOM 0 HA SER A 438 10.262 0.498 -1.408 1.00 21.13 H new ATOM 0 HB2 SER A 438 8.377 0.976 -3.154 1.00 22.11 H new ATOM 0 HB3 SER A 438 9.888 1.853 -3.285 1.00 22.11 H new ATOM 0 HG SER A 438 9.209 0.967 -5.317 1.00 64.20 H new ATOM 381 N ASP A 439 8.013 -0.872 -1.321 1.00 52.21 N ATOM 382 CA ASP A 439 7.013 -1.866 -0.946 1.00 40.24 C ATOM 383 C ASP A 439 7.581 -2.851 0.070 1.00 3.20 C ATOM 384 O ASP A 439 6.982 -3.892 0.342 1.00 63.04 O ATOM 385 CB ASP A 439 6.521 -2.617 -2.185 1.00 13.14 C ATOM 386 CG ASP A 439 6.482 -1.737 -3.418 1.00 41.43 C ATOM 387 OD1 ASP A 439 5.847 -0.663 -3.360 1.00 61.42 O ATOM 388 OD2 ASP A 439 7.086 -2.122 -4.442 1.00 14.04 O ATOM 0 H ASP A 439 7.794 0.079 -1.025 1.00 52.21 H new ATOM 0 HA ASP A 439 6.172 -1.346 -0.488 1.00 40.24 H new ATOM 0 HB2 ASP A 439 7.173 -3.470 -2.372 1.00 13.14 H new ATOM 0 HB3 ASP A 439 5.524 -3.014 -1.994 1.00 13.14 H new ATOM 393 N SER A 440 8.740 -2.516 0.627 1.00 3.15 N ATOM 394 CA SER A 440 9.392 -3.375 1.610 1.00 34.51 C ATOM 395 C SER A 440 9.513 -2.665 2.956 1.00 62.31 C ATOM 396 O SER A 440 9.554 -3.305 4.007 1.00 41.34 O ATOM 397 CB SER A 440 10.777 -3.792 1.115 1.00 25.34 C ATOM 398 OG SER A 440 11.371 -4.735 1.992 1.00 53.30 O ATOM 0 H SER A 440 9.247 -1.657 0.415 1.00 3.15 H new ATOM 0 HA SER A 440 8.778 -4.266 1.742 1.00 34.51 H new ATOM 0 HB2 SER A 440 10.696 -4.221 0.116 1.00 25.34 H new ATOM 0 HB3 SER A 440 11.417 -2.913 1.033 1.00 25.34 H new ATOM 0 HG SER A 440 12.255 -4.986 1.652 1.00 53.30 H new ATOM 404 N LYS A 441 9.569 -1.339 2.914 1.00 10.42 N ATOM 405 CA LYS A 441 9.685 -0.539 4.128 1.00 12.52 C ATOM 406 C LYS A 441 8.321 -0.348 4.785 1.00 4.25 C ATOM 407 O LYS A 441 8.166 -0.561 5.988 1.00 0.55 O ATOM 408 CB LYS A 441 10.304 0.824 3.809 1.00 30.15 C ATOM 409 CG LYS A 441 11.558 1.125 4.612 1.00 5.02 C ATOM 410 CD LYS A 441 11.285 1.092 6.106 1.00 23.01 C ATOM 411 CE LYS A 441 11.797 2.348 6.794 1.00 43.21 C ATOM 412 NZ LYS A 441 10.814 3.464 6.715 1.00 51.04 N ATOM 0 H LYS A 441 9.536 -0.795 2.052 1.00 10.42 H new ATOM 0 HA LYS A 441 10.334 -1.072 4.824 1.00 12.52 H new ATOM 0 HB2 LYS A 441 10.544 0.865 2.747 1.00 30.15 H new ATOM 0 HB3 LYS A 441 9.565 1.603 3.999 1.00 30.15 H new ATOM 0 HG2 LYS A 441 12.332 0.397 4.367 1.00 5.02 H new ATOM 0 HG3 LYS A 441 11.943 2.106 4.333 1.00 5.02 H new ATOM 0 HD2 LYS A 441 10.213 0.992 6.279 1.00 23.01 H new ATOM 0 HD3 LYS A 441 11.762 0.215 6.545 1.00 23.01 H new ATOM 0 HE2 LYS A 441 12.012 2.127 7.839 1.00 43.21 H new ATOM 0 HE3 LYS A 441 12.735 2.657 6.334 1.00 43.21 H new ATOM 0 HZ1 LYS A 441 11.200 4.302 7.195 1.00 51.04 H new ATOM 0 HZ2 LYS A 441 10.627 3.692 5.718 1.00 51.04 H new ATOM 0 HZ3 LYS A 441 9.927 3.179 7.177 1.00 51.04 H new ATOM 426 N LEU A 442 7.336 0.051 3.989 1.00 65.21 N ATOM 427 CA LEU A 442 5.985 0.269 4.493 1.00 1.12 C ATOM 428 C LEU A 442 5.468 -0.971 5.216 1.00 11.25 C ATOM 429 O LEU A 442 4.788 -0.869 6.239 1.00 64.33 O ATOM 430 CB LEU A 442 5.043 0.633 3.344 1.00 53.44 C ATOM 431 CG LEU A 442 5.229 -0.157 2.048 1.00 55.32 C ATOM 432 CD1 LEU A 442 3.949 -0.896 1.687 1.00 2.01 C ATOM 433 CD2 LEU A 442 5.650 0.768 0.916 1.00 73.43 C ATOM 0 H LEU A 442 7.447 0.230 2.991 1.00 65.21 H new ATOM 0 HA LEU A 442 6.017 1.095 5.203 1.00 1.12 H new ATOM 0 HB2 LEU A 442 4.017 0.497 3.685 1.00 53.44 H new ATOM 0 HB3 LEU A 442 5.167 1.693 3.121 1.00 53.44 H new ATOM 0 HG LEU A 442 6.019 -0.892 2.202 1.00 55.32 H new ATOM 0 HD11 LEU A 442 4.099 -1.453 0.762 1.00 2.01 H new ATOM 0 HD12 LEU A 442 3.689 -1.587 2.489 1.00 2.01 H new ATOM 0 HD13 LEU A 442 3.140 -0.178 1.551 1.00 2.01 H new ATOM 0 HD21 LEU A 442 5.778 0.189 0.001 1.00 73.43 H new ATOM 0 HD22 LEU A 442 4.882 1.526 0.761 1.00 73.43 H new ATOM 0 HD23 LEU A 442 6.592 1.253 1.173 1.00 73.43 H new ATOM 445 N THR A 443 5.794 -2.143 4.679 1.00 2.32 N ATOM 446 CA THR A 443 5.364 -3.403 5.273 1.00 41.45 C ATOM 447 C THR A 443 6.083 -3.662 6.592 1.00 1.11 C ATOM 448 O THR A 443 5.601 -4.420 7.434 1.00 71.54 O ATOM 449 CB THR A 443 5.616 -4.587 4.322 1.00 43.24 C ATOM 450 OG1 THR A 443 7.020 -4.727 4.075 1.00 41.21 O ATOM 451 CG2 THR A 443 4.882 -4.389 3.004 1.00 34.12 C ATOM 0 H THR A 443 6.355 -2.246 3.833 1.00 2.32 H new ATOM 0 HA THR A 443 4.293 -3.317 5.457 1.00 41.45 H new ATOM 0 HB THR A 443 5.239 -5.492 4.797 1.00 43.24 H new ATOM 0 HG1 THR A 443 7.469 -3.873 4.247 1.00 41.21 H new ATOM 0 HG21 THR A 443 5.075 -5.238 2.349 1.00 34.12 H new ATOM 0 HG22 THR A 443 3.811 -4.312 3.192 1.00 34.12 H new ATOM 0 HG23 THR A 443 5.233 -3.475 2.526 1.00 34.12 H new ATOM 459 N SER A 444 7.238 -3.028 6.766 1.00 21.42 N ATOM 460 CA SER A 444 8.025 -3.194 7.983 1.00 43.34 C ATOM 461 C SER A 444 7.268 -2.663 9.196 1.00 61.12 C ATOM 462 O SER A 444 7.077 -3.374 10.184 1.00 30.43 O ATOM 463 CB SER A 444 9.367 -2.472 7.849 1.00 2.14 C ATOM 464 OG SER A 444 10.282 -2.910 8.839 1.00 42.02 O ATOM 0 H SER A 444 7.650 -2.395 6.080 1.00 21.42 H new ATOM 0 HA SER A 444 8.206 -4.259 8.127 1.00 43.34 H new ATOM 0 HB2 SER A 444 9.784 -2.653 6.858 1.00 2.14 H new ATOM 0 HB3 SER A 444 9.216 -1.396 7.939 1.00 2.14 H new ATOM 0 HG SER A 444 11.133 -2.435 8.731 1.00 42.02 H new ATOM 470 N LEU A 445 6.839 -1.409 9.114 1.00 13.44 N ATOM 471 CA LEU A 445 6.102 -0.781 10.206 1.00 54.21 C ATOM 472 C LEU A 445 4.848 -1.579 10.548 1.00 45.12 C ATOM 473 O LEU A 445 4.402 -1.595 11.696 1.00 4.41 O ATOM 474 CB LEU A 445 5.720 0.653 9.831 1.00 44.52 C ATOM 475 CG LEU A 445 6.527 1.761 10.509 1.00 64.31 C ATOM 476 CD1 LEU A 445 6.561 3.006 9.636 1.00 40.24 C ATOM 477 CD2 LEU A 445 5.947 2.083 11.878 1.00 31.23 C ATOM 0 H LEU A 445 6.988 -0.807 8.304 1.00 13.44 H new ATOM 0 HA LEU A 445 6.749 -0.762 11.083 1.00 54.21 H new ATOM 0 HB2 LEU A 445 5.823 0.765 8.752 1.00 44.52 H new ATOM 0 HB3 LEU A 445 4.666 0.801 10.068 1.00 44.52 H new ATOM 0 HG LEU A 445 7.549 1.408 10.644 1.00 64.31 H new ATOM 0 HD11 LEU A 445 7.139 3.784 10.134 1.00 40.24 H new ATOM 0 HD12 LEU A 445 7.024 2.767 8.679 1.00 40.24 H new ATOM 0 HD13 LEU A 445 5.544 3.361 9.469 1.00 40.24 H new ATOM 0 HD21 LEU A 445 6.534 2.874 12.345 1.00 31.23 H new ATOM 0 HD22 LEU A 445 4.915 2.415 11.767 1.00 31.23 H new ATOM 0 HD23 LEU A 445 5.976 1.191 12.504 1.00 31.23 H new ATOM 489 N LEU A 446 4.284 -2.243 9.545 1.00 43.12 N ATOM 490 CA LEU A 446 3.082 -3.048 9.738 1.00 44.41 C ATOM 491 C LEU A 446 3.427 -4.402 10.350 1.00 10.31 C ATOM 492 O LEU A 446 2.718 -4.896 11.227 1.00 35.31 O ATOM 493 CB LEU A 446 2.358 -3.246 8.406 1.00 33.34 C ATOM 494 CG LEU A 446 1.145 -2.348 8.162 1.00 31.01 C ATOM 495 CD1 LEU A 446 0.516 -2.657 6.812 1.00 11.43 C ATOM 496 CD2 LEU A 446 0.125 -2.514 9.278 1.00 53.44 C ATOM 0 H LEU A 446 4.640 -2.240 8.589 1.00 43.12 H new ATOM 0 HA LEU A 446 2.424 -2.516 10.426 1.00 44.41 H new ATOM 0 HB2 LEU A 446 3.073 -3.084 7.599 1.00 33.34 H new ATOM 0 HB3 LEU A 446 2.035 -4.285 8.342 1.00 33.34 H new ATOM 0 HG LEU A 446 1.480 -1.311 8.155 1.00 31.01 H new ATOM 0 HD11 LEU A 446 -0.346 -2.008 6.655 1.00 11.43 H new ATOM 0 HD12 LEU A 446 1.247 -2.486 6.022 1.00 11.43 H new ATOM 0 HD13 LEU A 446 0.195 -3.698 6.790 1.00 11.43 H new ATOM 0 HD21 LEU A 446 -0.731 -1.867 9.087 1.00 53.44 H new ATOM 0 HD22 LEU A 446 -0.206 -3.552 9.317 1.00 53.44 H new ATOM 0 HD23 LEU A 446 0.580 -2.242 10.230 1.00 53.44 H new ATOM 508 N SER A 447 4.521 -4.995 9.884 1.00 40.21 N ATOM 509 CA SER A 447 4.959 -6.293 10.385 1.00 71.20 C ATOM 510 C SER A 447 5.545 -6.165 11.787 1.00 15.20 C ATOM 511 O SER A 447 5.741 -7.162 12.482 1.00 75.20 O ATOM 512 CB SER A 447 5.995 -6.904 9.440 1.00 63.21 C ATOM 513 OG SER A 447 6.175 -8.285 9.704 1.00 71.12 O ATOM 0 H SER A 447 5.120 -4.598 9.161 1.00 40.21 H new ATOM 0 HA SER A 447 4.090 -6.949 10.433 1.00 71.20 H new ATOM 0 HB2 SER A 447 5.675 -6.767 8.407 1.00 63.21 H new ATOM 0 HB3 SER A 447 6.946 -6.382 9.551 1.00 63.21 H new ATOM 0 HG SER A 447 6.219 -8.430 10.672 1.00 71.12 H new ATOM 519 N GLU A 448 5.822 -4.931 12.195 1.00 4.22 N ATOM 520 CA GLU A 448 6.388 -4.672 13.515 1.00 31.02 C ATOM 521 C GLU A 448 5.496 -5.250 14.610 1.00 55.45 C ATOM 522 O GLU A 448 5.958 -5.532 15.716 1.00 64.31 O ATOM 523 CB GLU A 448 6.571 -3.169 13.730 1.00 33.00 C ATOM 524 CG GLU A 448 7.918 -2.646 13.261 1.00 10.15 C ATOM 525 CD GLU A 448 8.045 -1.143 13.411 1.00 42.02 C ATOM 526 OE1 GLU A 448 7.194 -0.540 14.097 1.00 71.25 O ATOM 527 OE2 GLU A 448 8.997 -0.569 12.841 1.00 30.43 O ATOM 0 H GLU A 448 5.664 -4.095 11.632 1.00 4.22 H new ATOM 0 HA GLU A 448 7.362 -5.159 13.568 1.00 31.02 H new ATOM 0 HB2 GLU A 448 5.780 -2.636 13.202 1.00 33.00 H new ATOM 0 HB3 GLU A 448 6.453 -2.945 14.790 1.00 33.00 H new ATOM 0 HG2 GLU A 448 8.710 -3.132 13.830 1.00 10.15 H new ATOM 0 HG3 GLU A 448 8.064 -2.917 12.215 1.00 10.15 H new ATOM 534 N GLN A 449 4.216 -5.419 14.296 1.00 31.41 N ATOM 535 CA GLN A 449 3.260 -5.961 15.254 1.00 73.01 C ATOM 536 C GLN A 449 2.788 -7.347 14.828 1.00 72.04 C ATOM 537 O GLN A 449 2.575 -8.225 15.663 1.00 62.01 O ATOM 538 CB GLN A 449 2.060 -5.022 15.395 1.00 74.23 C ATOM 539 CG GLN A 449 2.189 -3.744 14.582 1.00 54.53 C ATOM 540 CD GLN A 449 1.087 -2.747 14.884 1.00 30.03 C ATOM 541 OE1 GLN A 449 -0.051 -2.911 14.443 1.00 41.35 O ATOM 542 NE2 GLN A 449 1.420 -1.706 15.639 1.00 60.51 N ATOM 0 H GLN A 449 3.817 -5.189 13.386 1.00 31.41 H new ATOM 0 HA GLN A 449 3.760 -6.048 16.218 1.00 73.01 H new ATOM 0 HB2 GLN A 449 1.158 -5.550 15.086 1.00 74.23 H new ATOM 0 HB3 GLN A 449 1.933 -4.763 16.446 1.00 74.23 H new ATOM 0 HG2 GLN A 449 3.156 -3.284 14.786 1.00 54.53 H new ATOM 0 HG3 GLN A 449 2.171 -3.990 13.520 1.00 54.53 H new ATOM 0 HE21 GLN A 449 2.376 -1.610 15.983 1.00 60.51 H new ATOM 0 HE22 GLN A 449 0.720 -1.002 15.875 1.00 60.51 H new ATOM 551 N GLY A 450 2.625 -7.536 13.522 1.00 64.21 N ATOM 552 CA GLY A 450 2.179 -8.818 13.008 1.00 44.12 C ATOM 553 C GLY A 450 1.504 -8.697 11.656 1.00 51.21 C ATOM 554 O GLY A 450 1.373 -9.683 10.929 1.00 11.33 O ATOM 0 H GLY A 450 2.794 -6.824 12.811 1.00 64.21 H new ATOM 0 HA2 GLY A 450 3.033 -9.490 12.925 1.00 44.12 H new ATOM 0 HA3 GLY A 450 1.486 -9.269 13.718 1.00 44.12 H new ATOM 558 N ILE A 451 1.072 -7.487 11.318 1.00 12.23 N ATOM 559 CA ILE A 451 0.405 -7.241 10.045 1.00 24.14 C ATOM 560 C ILE A 451 1.270 -7.698 8.875 1.00 14.43 C ATOM 561 O ILE A 451 2.498 -7.677 8.953 1.00 43.32 O ATOM 562 CB ILE A 451 0.064 -5.751 9.867 1.00 71.32 C ATOM 563 CG1 ILE A 451 -0.690 -5.226 11.091 1.00 25.53 C ATOM 564 CG2 ILE A 451 -0.758 -5.543 8.603 1.00 40.12 C ATOM 565 CD1 ILE A 451 -1.948 -6.005 11.404 1.00 21.41 C ATOM 0 H ILE A 451 1.172 -6.661 11.908 1.00 12.23 H new ATOM 0 HA ILE A 451 -0.520 -7.817 10.056 1.00 24.14 H new ATOM 0 HB ILE A 451 0.994 -5.191 9.770 1.00 71.32 H new ATOM 0 HG12 ILE A 451 -0.028 -5.257 11.956 1.00 25.53 H new ATOM 0 HG13 ILE A 451 -0.951 -4.181 10.926 1.00 25.53 H new ATOM 0 HG21 ILE A 451 -0.991 -4.484 8.491 1.00 40.12 H new ATOM 0 HG22 ILE A 451 -0.188 -5.882 7.738 1.00 40.12 H new ATOM 0 HG23 ILE A 451 -1.684 -6.113 8.673 1.00 40.12 H new ATOM 0 HD11 ILE A 451 -2.431 -5.578 12.283 1.00 21.41 H new ATOM 0 HD12 ILE A 451 -2.629 -5.953 10.554 1.00 21.41 H new ATOM 0 HD13 ILE A 451 -1.692 -7.046 11.601 1.00 21.41 H new ATOM 577 N MET A 452 0.620 -8.107 7.790 1.00 42.51 N ATOM 578 CA MET A 452 1.331 -8.565 6.603 1.00 44.04 C ATOM 579 C MET A 452 0.401 -8.605 5.394 1.00 53.21 C ATOM 580 O MET A 452 -0.024 -9.676 4.961 1.00 62.11 O ATOM 581 CB MET A 452 1.932 -9.951 6.844 1.00 34.53 C ATOM 582 CG MET A 452 0.946 -10.946 7.435 1.00 1.41 C ATOM 583 SD MET A 452 1.734 -12.487 7.940 1.00 13.44 S ATOM 584 CE MET A 452 0.704 -13.686 7.098 1.00 15.04 C ATOM 0 H MET A 452 -0.396 -8.130 7.709 1.00 42.51 H new ATOM 0 HA MET A 452 2.136 -7.859 6.398 1.00 44.04 H new ATOM 0 HB2 MET A 452 2.310 -10.343 5.900 1.00 34.53 H new ATOM 0 HB3 MET A 452 2.786 -9.856 7.515 1.00 34.53 H new ATOM 0 HG2 MET A 452 0.453 -10.495 8.296 1.00 1.41 H new ATOM 0 HG3 MET A 452 0.170 -11.163 6.701 1.00 1.41 H new ATOM 0 HE1 MET A 452 1.066 -14.691 7.313 1.00 15.04 H new ATOM 0 HE2 MET A 452 -0.325 -13.589 7.444 1.00 15.04 H new ATOM 0 HE3 MET A 452 0.743 -13.508 6.023 1.00 15.04 H new ATOM 594 N VAL A 453 0.087 -7.431 4.855 1.00 3.40 N ATOM 595 CA VAL A 453 -0.792 -7.332 3.697 1.00 60.13 C ATOM 596 C VAL A 453 -0.162 -6.482 2.599 1.00 24.44 C ATOM 597 O VAL A 453 -0.220 -6.831 1.420 1.00 11.25 O ATOM 598 CB VAL A 453 -2.157 -6.729 4.078 1.00 70.43 C ATOM 599 CG1 VAL A 453 -3.092 -7.809 4.599 1.00 15.33 C ATOM 600 CG2 VAL A 453 -1.980 -5.622 5.107 1.00 34.33 C ATOM 0 H VAL A 453 0.429 -6.535 5.203 1.00 3.40 H new ATOM 0 HA VAL A 453 -0.942 -8.346 3.326 1.00 60.13 H new ATOM 0 HB VAL A 453 -2.606 -6.295 3.184 1.00 70.43 H new ATOM 0 HG11 VAL A 453 -4.051 -7.364 4.863 1.00 15.33 H new ATOM 0 HG12 VAL A 453 -3.243 -8.563 3.827 1.00 15.33 H new ATOM 0 HG13 VAL A 453 -2.653 -8.275 5.481 1.00 15.33 H new ATOM 0 HG21 VAL A 453 -2.954 -5.206 5.365 1.00 34.33 H new ATOM 0 HG22 VAL A 453 -1.510 -6.029 6.002 1.00 34.33 H new ATOM 0 HG23 VAL A 453 -1.349 -4.836 4.691 1.00 34.33 H new ATOM 610 N ALA A 454 0.440 -5.366 2.995 1.00 61.44 N ATOM 611 CA ALA A 454 1.084 -4.467 2.045 1.00 11.31 C ATOM 612 C ALA A 454 2.011 -5.233 1.106 1.00 4.40 C ATOM 613 O ALA A 454 2.235 -4.821 -0.032 1.00 43.42 O ATOM 614 CB ALA A 454 1.855 -3.384 2.784 1.00 71.24 C ATOM 0 H ALA A 454 0.495 -5.062 3.967 1.00 61.44 H new ATOM 0 HA ALA A 454 0.307 -3.997 1.442 1.00 11.31 H new ATOM 0 HB1 ALA A 454 2.331 -2.720 2.063 1.00 71.24 H new ATOM 0 HB2 ALA A 454 1.169 -2.811 3.408 1.00 71.24 H new ATOM 0 HB3 ALA A 454 2.618 -3.844 3.412 1.00 71.24 H new ATOM 620 N ARG A 455 2.547 -6.347 1.592 1.00 21.43 N ATOM 621 CA ARG A 455 3.452 -7.169 0.796 1.00 12.11 C ATOM 622 C ARG A 455 2.851 -7.468 -0.574 1.00 2.14 C ATOM 623 O ARG A 455 3.371 -7.028 -1.600 1.00 34.25 O ATOM 624 CB ARG A 455 3.761 -8.478 1.526 1.00 55.13 C ATOM 625 CG ARG A 455 5.067 -9.123 1.094 1.00 64.45 C ATOM 626 CD ARG A 455 4.926 -10.631 0.953 1.00 54.43 C ATOM 627 NE ARG A 455 5.218 -11.326 2.204 1.00 74.33 N ATOM 628 CZ ARG A 455 5.180 -12.647 2.335 1.00 12.01 C ATOM 629 NH1 ARG A 455 4.866 -13.412 1.298 1.00 55.00 N ATOM 630 NH2 ARG A 455 5.458 -13.207 3.506 1.00 62.03 N ATOM 0 H ARG A 455 2.371 -6.702 2.532 1.00 21.43 H new ATOM 0 HA ARG A 455 4.378 -6.613 0.654 1.00 12.11 H new ATOM 0 HB2 ARG A 455 3.798 -8.286 2.598 1.00 55.13 H new ATOM 0 HB3 ARG A 455 2.945 -9.180 1.356 1.00 55.13 H new ATOM 0 HG2 ARG A 455 5.387 -8.696 0.144 1.00 64.45 H new ATOM 0 HG3 ARG A 455 5.844 -8.896 1.823 1.00 64.45 H new ATOM 0 HD2 ARG A 455 3.913 -10.872 0.632 1.00 54.43 H new ATOM 0 HD3 ARG A 455 5.600 -10.987 0.174 1.00 54.43 H new ATOM 0 HE ARG A 455 5.464 -10.767 3.021 1.00 74.33 H new ATOM 0 HH11 ARG A 455 4.653 -12.986 0.396 1.00 55.00 H new ATOM 0 HH12 ARG A 455 4.838 -14.426 1.402 1.00 55.00 H new ATOM 0 HH21 ARG A 455 5.701 -12.623 4.306 1.00 62.03 H new ATOM 0 HH22 ARG A 455 5.429 -14.222 3.606 1.00 62.03 H new ATOM 644 N ARG A 456 1.754 -8.219 -0.583 1.00 61.12 N ATOM 645 CA ARG A 456 1.084 -8.578 -1.827 1.00 24.43 C ATOM 646 C ARG A 456 0.099 -7.492 -2.247 1.00 74.20 C ATOM 647 O ARG A 456 -0.112 -7.255 -3.437 1.00 54.13 O ATOM 648 CB ARG A 456 0.353 -9.912 -1.671 1.00 24.04 C ATOM 649 CG ARG A 456 -0.037 -10.552 -2.993 1.00 73.43 C ATOM 650 CD ARG A 456 -1.407 -10.081 -3.456 1.00 54.12 C ATOM 651 NE ARG A 456 -2.442 -11.083 -3.214 1.00 44.04 N ATOM 652 CZ ARG A 456 -3.742 -10.811 -3.210 1.00 50.32 C ATOM 653 NH1 ARG A 456 -4.165 -9.574 -3.434 1.00 72.14 N ATOM 654 NH2 ARG A 456 -4.622 -11.776 -2.982 1.00 34.23 N ATOM 0 H ARG A 456 1.311 -8.590 0.257 1.00 61.12 H new ATOM 0 HA ARG A 456 1.843 -8.676 -2.603 1.00 24.43 H new ATOM 0 HB2 ARG A 456 0.989 -10.602 -1.117 1.00 24.04 H new ATOM 0 HB3 ARG A 456 -0.545 -9.756 -1.074 1.00 24.04 H new ATOM 0 HG2 ARG A 456 0.708 -10.308 -3.750 1.00 73.43 H new ATOM 0 HG3 ARG A 456 -0.041 -11.637 -2.887 1.00 73.43 H new ATOM 0 HD2 ARG A 456 -1.667 -9.158 -2.937 1.00 54.12 H new ATOM 0 HD3 ARG A 456 -1.370 -9.848 -4.520 1.00 54.12 H new ATOM 0 HE ARG A 456 -2.150 -12.044 -3.038 1.00 44.04 H new ATOM 0 HH11 ARG A 456 -3.491 -8.829 -3.610 1.00 72.14 H new ATOM 0 HH12 ARG A 456 -5.164 -9.368 -3.430 1.00 72.14 H new ATOM 0 HH21 ARG A 456 -4.301 -12.729 -2.809 1.00 34.23 H new ATOM 0 HH22 ARG A 456 -5.620 -11.566 -2.979 1.00 34.23 H new ATOM 668 N THR A 457 -0.504 -6.834 -1.261 1.00 75.30 N ATOM 669 CA THR A 457 -1.469 -5.775 -1.527 1.00 74.45 C ATOM 670 C THR A 457 -0.850 -4.667 -2.371 1.00 43.14 C ATOM 671 O THR A 457 -1.298 -4.397 -3.486 1.00 42.35 O ATOM 672 CB THR A 457 -2.011 -5.167 -0.221 1.00 10.45 C ATOM 673 OG1 THR A 457 -2.836 -6.121 0.458 1.00 43.42 O ATOM 674 CG2 THR A 457 -2.813 -3.904 -0.502 1.00 22.34 C ATOM 0 H THR A 457 -0.341 -7.016 -0.271 1.00 75.30 H new ATOM 0 HA THR A 457 -2.293 -6.230 -2.076 1.00 74.45 H new ATOM 0 HB THR A 457 -1.162 -4.905 0.411 1.00 10.45 H new ATOM 0 HG1 THR A 457 -2.274 -6.709 1.004 1.00 43.42 H new ATOM 0 HG21 THR A 457 -3.185 -3.493 0.436 1.00 22.34 H new ATOM 0 HG22 THR A 457 -2.174 -3.169 -0.992 1.00 22.34 H new ATOM 0 HG23 THR A 457 -3.654 -4.144 -1.152 1.00 22.34 H new ATOM 682 N VAL A 458 0.184 -4.027 -1.834 1.00 52.15 N ATOM 683 CA VAL A 458 0.867 -2.948 -2.539 1.00 31.24 C ATOM 684 C VAL A 458 1.231 -3.364 -3.960 1.00 32.13 C ATOM 685 O VAL A 458 1.027 -2.610 -4.910 1.00 35.31 O ATOM 686 CB VAL A 458 2.146 -2.516 -1.798 1.00 65.02 C ATOM 687 CG1 VAL A 458 2.893 -1.457 -2.596 1.00 32.14 C ATOM 688 CG2 VAL A 458 1.809 -2.006 -0.405 1.00 31.51 C ATOM 0 H VAL A 458 0.567 -4.237 -0.912 1.00 52.15 H new ATOM 0 HA VAL A 458 0.176 -2.106 -2.576 1.00 31.24 H new ATOM 0 HB VAL A 458 2.796 -3.385 -1.694 1.00 65.02 H new ATOM 0 HG11 VAL A 458 3.794 -1.164 -2.057 1.00 32.14 H new ATOM 0 HG12 VAL A 458 3.168 -1.862 -3.570 1.00 32.14 H new ATOM 0 HG13 VAL A 458 2.253 -0.586 -2.733 1.00 32.14 H new ATOM 0 HG21 VAL A 458 2.725 -1.705 0.104 1.00 31.51 H new ATOM 0 HG22 VAL A 458 1.139 -1.150 -0.483 1.00 31.51 H new ATOM 0 HG23 VAL A 458 1.321 -2.797 0.164 1.00 31.51 H new ATOM 698 N ALA A 459 1.772 -4.571 -4.096 1.00 71.31 N ATOM 699 CA ALA A 459 2.162 -5.089 -5.402 1.00 5.32 C ATOM 700 C ALA A 459 0.955 -5.220 -6.324 1.00 42.54 C ATOM 701 O ALA A 459 0.942 -4.674 -7.428 1.00 22.51 O ATOM 702 CB ALA A 459 2.859 -6.433 -5.249 1.00 53.42 C ATOM 0 H ALA A 459 1.950 -5.207 -3.319 1.00 71.31 H new ATOM 0 HA ALA A 459 2.856 -4.380 -5.854 1.00 5.32 H new ATOM 0 HB1 ALA A 459 3.145 -6.809 -6.232 1.00 53.42 H new ATOM 0 HB2 ALA A 459 3.750 -6.313 -4.633 1.00 53.42 H new ATOM 0 HB3 ALA A 459 2.182 -7.142 -4.773 1.00 53.42 H new ATOM 708 N LYS A 460 -0.058 -5.946 -5.866 1.00 53.04 N ATOM 709 CA LYS A 460 -1.272 -6.148 -6.649 1.00 40.13 C ATOM 710 C LYS A 460 -1.837 -4.815 -7.131 1.00 11.14 C ATOM 711 O LYS A 460 -2.342 -4.711 -8.248 1.00 23.22 O ATOM 712 CB LYS A 460 -2.322 -6.889 -5.819 1.00 23.32 C ATOM 713 CG LYS A 460 -2.716 -8.236 -6.399 1.00 64.54 C ATOM 714 CD LYS A 460 -3.501 -8.079 -7.692 1.00 54.51 C ATOM 715 CE LYS A 460 -4.459 -9.241 -7.907 1.00 54.51 C ATOM 716 NZ LYS A 460 -5.635 -9.165 -6.998 1.00 14.03 N ATOM 0 H LYS A 460 -0.063 -6.405 -4.955 1.00 53.04 H new ATOM 0 HA LYS A 460 -1.016 -6.750 -7.521 1.00 40.13 H new ATOM 0 HB2 LYS A 460 -1.938 -7.036 -4.810 1.00 23.32 H new ATOM 0 HB3 LYS A 460 -3.212 -6.265 -5.734 1.00 23.32 H new ATOM 0 HG2 LYS A 460 -1.820 -8.829 -6.586 1.00 64.54 H new ATOM 0 HG3 LYS A 460 -3.316 -8.785 -5.673 1.00 64.54 H new ATOM 0 HD2 LYS A 460 -4.061 -7.144 -7.668 1.00 54.51 H new ATOM 0 HD3 LYS A 460 -2.810 -8.015 -8.533 1.00 54.51 H new ATOM 0 HE2 LYS A 460 -4.800 -9.244 -8.942 1.00 54.51 H new ATOM 0 HE3 LYS A 460 -3.933 -10.181 -7.742 1.00 54.51 H new ATOM 0 HZ1 LYS A 460 -6.371 -9.823 -7.326 1.00 14.03 H new ATOM 0 HZ2 LYS A 460 -5.345 -9.423 -6.033 1.00 14.03 H new ATOM 0 HZ3 LYS A 460 -6.012 -8.196 -6.998 1.00 14.03 H new ATOM 730 N TYR A 461 -1.747 -3.799 -6.280 1.00 73.24 N ATOM 731 CA TYR A 461 -2.251 -2.472 -6.619 1.00 24.13 C ATOM 732 C TYR A 461 -1.306 -1.760 -7.583 1.00 24.35 C ATOM 733 O TYR A 461 -1.744 -1.106 -8.529 1.00 12.43 O ATOM 734 CB TYR A 461 -2.432 -1.635 -5.353 1.00 53.52 C ATOM 735 CG TYR A 461 -3.769 -1.839 -4.677 1.00 73.02 C ATOM 736 CD1 TYR A 461 -4.941 -1.373 -5.260 1.00 30.41 C ATOM 737 CD2 TYR A 461 -3.860 -2.495 -3.456 1.00 21.02 C ATOM 738 CE1 TYR A 461 -6.166 -1.557 -4.646 1.00 63.32 C ATOM 739 CE2 TYR A 461 -5.080 -2.684 -2.837 1.00 12.34 C ATOM 740 CZ TYR A 461 -6.230 -2.214 -3.435 1.00 43.32 C ATOM 741 OH TYR A 461 -7.447 -2.399 -2.820 1.00 61.42 O ATOM 0 H TYR A 461 -1.330 -3.868 -5.351 1.00 73.24 H new ATOM 0 HA TYR A 461 -3.217 -2.592 -7.109 1.00 24.13 H new ATOM 0 HB2 TYR A 461 -1.637 -1.881 -4.649 1.00 53.52 H new ATOM 0 HB3 TYR A 461 -2.319 -0.581 -5.606 1.00 53.52 H new ATOM 0 HD1 TYR A 461 -4.894 -0.859 -6.208 1.00 30.41 H new ATOM 0 HD2 TYR A 461 -2.962 -2.863 -2.983 1.00 21.02 H new ATOM 0 HE1 TYR A 461 -7.068 -1.188 -5.112 1.00 63.32 H new ATOM 0 HE2 TYR A 461 -5.133 -3.198 -1.889 1.00 12.34 H new ATOM 0 HH TYR A 461 -7.317 -2.880 -1.976 1.00 61.42 H new ATOM 751 N ARG A 462 -0.007 -1.895 -7.335 1.00 33.30 N ATOM 752 CA ARG A 462 1.000 -1.265 -8.179 1.00 63.52 C ATOM 753 C ARG A 462 0.771 -1.609 -9.649 1.00 52.43 C ATOM 754 O ARG A 462 0.846 -0.740 -10.518 1.00 0.24 O ATOM 755 CB ARG A 462 2.402 -1.708 -7.755 1.00 30.14 C ATOM 756 CG ARG A 462 3.493 -1.290 -8.727 1.00 0.13 C ATOM 757 CD ARG A 462 4.878 -1.551 -8.154 1.00 44.42 C ATOM 758 NE ARG A 462 5.112 -2.971 -7.911 1.00 60.00 N ATOM 759 CZ ARG A 462 6.311 -3.487 -7.662 1.00 54.43 C ATOM 760 NH1 ARG A 462 7.378 -2.701 -7.622 1.00 24.45 N ATOM 761 NH2 ARG A 462 6.443 -4.791 -7.450 1.00 41.54 N ATOM 0 H ARG A 462 0.372 -2.435 -6.557 1.00 33.30 H new ATOM 0 HA ARG A 462 0.914 -0.185 -8.058 1.00 63.52 H new ATOM 0 HB2 ARG A 462 2.624 -1.292 -6.772 1.00 30.14 H new ATOM 0 HB3 ARG A 462 2.415 -2.793 -7.652 1.00 30.14 H new ATOM 0 HG2 ARG A 462 3.376 -1.836 -9.663 1.00 0.13 H new ATOM 0 HG3 ARG A 462 3.388 -0.230 -8.960 1.00 0.13 H new ATOM 0 HD2 ARG A 462 5.633 -1.172 -8.843 1.00 44.42 H new ATOM 0 HD3 ARG A 462 4.994 -1.000 -7.221 1.00 44.42 H new ATOM 0 HE ARG A 462 4.311 -3.602 -7.934 1.00 60.00 H new ATOM 0 HH11 ARG A 462 7.279 -1.699 -7.782 1.00 24.45 H new ATOM 0 HH12 ARG A 462 8.298 -3.099 -7.431 1.00 24.45 H new ATOM 0 HH21 ARG A 462 5.624 -5.398 -7.478 1.00 41.54 H new ATOM 0 HH22 ARG A 462 7.364 -5.186 -7.259 1.00 41.54 H new ATOM 775 N GLU A 463 0.491 -2.880 -9.917 1.00 33.51 N ATOM 776 CA GLU A 463 0.252 -3.338 -11.281 1.00 70.14 C ATOM 777 C GLU A 463 -0.819 -2.487 -11.960 1.00 10.14 C ATOM 778 O GLU A 463 -0.789 -2.286 -13.174 1.00 45.32 O ATOM 779 CB GLU A 463 -0.172 -4.808 -11.283 1.00 71.44 C ATOM 780 CG GLU A 463 0.960 -5.768 -10.954 1.00 74.12 C ATOM 781 CD GLU A 463 0.756 -7.140 -11.564 1.00 70.41 C ATOM 782 OE1 GLU A 463 0.413 -7.213 -12.764 1.00 11.45 O ATOM 783 OE2 GLU A 463 0.939 -8.143 -10.843 1.00 31.15 O ATOM 0 H GLU A 463 0.424 -3.611 -9.209 1.00 33.51 H new ATOM 0 HA GLU A 463 1.182 -3.236 -11.840 1.00 70.14 H new ATOM 0 HB2 GLU A 463 -0.976 -4.947 -10.561 1.00 71.44 H new ATOM 0 HB3 GLU A 463 -0.577 -5.059 -12.263 1.00 71.44 H new ATOM 0 HG2 GLU A 463 1.901 -5.351 -11.313 1.00 74.12 H new ATOM 0 HG3 GLU A 463 1.046 -5.865 -9.872 1.00 74.12 H new ATOM 790 N SER A 464 -1.764 -1.993 -11.167 1.00 34.53 N ATOM 791 CA SER A 464 -2.847 -1.169 -11.691 1.00 10.01 C ATOM 792 C SER A 464 -2.335 0.211 -12.092 1.00 1.32 C ATOM 793 O SER A 464 -2.225 0.526 -13.277 1.00 74.32 O ATOM 794 CB SER A 464 -3.960 -1.030 -10.650 1.00 33.11 C ATOM 795 OG SER A 464 -5.055 -0.296 -11.169 1.00 63.42 O ATOM 0 H SER A 464 -1.802 -2.149 -10.160 1.00 34.53 H new ATOM 0 HA SER A 464 -3.248 -1.660 -12.578 1.00 10.01 H new ATOM 0 HB2 SER A 464 -4.296 -2.019 -10.338 1.00 33.11 H new ATOM 0 HB3 SER A 464 -3.572 -0.531 -9.762 1.00 33.11 H new ATOM 0 HG SER A 464 -5.753 -0.223 -10.485 1.00 63.42 H new ATOM 801 N LEU A 465 -2.022 1.032 -11.094 1.00 22.52 N ATOM 802 CA LEU A 465 -1.520 2.379 -11.341 1.00 1.33 C ATOM 803 C LEU A 465 -0.376 2.358 -12.349 1.00 3.34 C ATOM 804 O LEU A 465 -0.384 3.103 -13.328 1.00 74.42 O ATOM 805 CB LEU A 465 -1.050 3.016 -10.031 1.00 73.11 C ATOM 806 CG LEU A 465 -2.042 2.968 -8.868 1.00 72.34 C ATOM 807 CD1 LEU A 465 -3.472 2.975 -9.385 1.00 3.23 C ATOM 808 CD2 LEU A 465 -1.790 1.741 -8.004 1.00 31.30 C ATOM 0 H LEU A 465 -2.107 0.788 -10.107 1.00 22.52 H new ATOM 0 HA LEU A 465 -2.334 2.974 -11.756 1.00 1.33 H new ATOM 0 HB2 LEU A 465 -0.131 2.521 -9.719 1.00 73.11 H new ATOM 0 HB3 LEU A 465 -0.800 4.059 -10.226 1.00 73.11 H new ATOM 0 HG LEU A 465 -1.896 3.857 -8.254 1.00 72.34 H new ATOM 0 HD11 LEU A 465 -4.163 2.940 -8.543 1.00 3.23 H new ATOM 0 HD12 LEU A 465 -3.646 3.884 -9.961 1.00 3.23 H new ATOM 0 HD13 LEU A 465 -3.633 2.106 -10.022 1.00 3.23 H new ATOM 0 HD21 LEU A 465 -2.505 1.722 -7.181 1.00 31.30 H new ATOM 0 HD22 LEU A 465 -1.908 0.841 -8.607 1.00 31.30 H new ATOM 0 HD23 LEU A 465 -0.777 1.780 -7.604 1.00 31.30 H new