USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 546 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 433 SER OG : rot 160:sc= -0.819 USER MOD Set 1.2: A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 398 GLN : amide:sc=-0.00443 K(o=-0.0044,f=-0.54) USER MOD Single : A 399 LYS NZ :NH3+ 163:sc= -0.111 (180deg=-0.437) USER MOD Single : A 406 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 414 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 419 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.11) USER MOD Single : A 423 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.2) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -165:sc= -0.768 (180deg=-1.22) USER MOD Single : A 430 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 435 LYS NZ :NH3+ -172:sc=-0.00496 (180deg=-0.1) USER MOD Single : A 453 TYR OH : rot 30:sc= 0.217 USER MOD Single : A 455 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.014) USER MOD Single : A 458 SER OG : rot 180:sc= 0.042 USER MOD Single : A 460 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 MET CE :methyl 166:sc= 0 (180deg=-0.0815) USER MOD Single : A 467 ASN : amide:sc= 0.846 K(o=0.85,f=-0.15) USER MOD Single : A 470 GLN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 161:sc= -0.0361 (180deg=-0.291) USER MOD Single : A 479 GLN : amide:sc= -0.728 K(o=-0.73,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.811 7.043 7.727 1.00 1.14 N ATOM 57 CA GLN A 398 -0.073 7.846 6.808 1.00 63.20 C ATOM 58 C GLN A 398 -0.506 9.216 7.459 1.00 44.22 C ATOM 59 O GLN A 398 -1.544 9.322 8.125 1.00 12.11 O ATOM 60 CB GLN A 398 -1.298 6.957 6.297 1.00 20.11 C ATOM 61 CG GLN A 398 -2.605 7.656 5.706 1.00 63.20 C ATOM 62 CD GLN A 398 -2.852 7.453 4.213 1.00 42.31 C ATOM 63 OE1 GLN A 398 -1.932 7.213 3.426 1.00 61.55 O ATOM 64 NE2 GLN A 398 -4.129 7.596 3.814 1.00 31.42 N ATOM 0 HA GLN A 398 0.500 8.124 5.923 1.00 63.20 H new ATOM 0 HB2 GLN A 398 -0.913 6.288 5.527 1.00 20.11 H new ATOM 0 HB3 GLN A 398 -1.615 6.333 7.132 1.00 20.11 H new ATOM 0 HG2 GLN A 398 -3.472 7.283 6.252 1.00 63.20 H new ATOM 0 HG3 GLN A 398 -2.541 8.726 5.902 1.00 63.20 H new ATOM 0 HE21 GLN A 398 -4.858 7.794 4.499 1.00 31.42 H new ATOM 0 HE22 GLN A 398 -4.368 7.506 2.826 1.00 31.42 H new ATOM 73 N LYS A 399 0.390 10.225 7.358 1.00 1.03 N ATOM 74 CA LYS A 399 0.080 11.656 7.616 1.00 24.21 C ATOM 75 C LYS A 399 0.429 12.523 6.354 1.00 32.43 C ATOM 76 O LYS A 399 1.591 12.840 6.087 1.00 11.34 O ATOM 77 CB LYS A 399 0.696 12.232 8.961 1.00 25.11 C ATOM 78 CG LYS A 399 2.229 12.390 9.143 1.00 0.41 C ATOM 79 CD LYS A 399 3.027 11.179 8.683 1.00 53.24 C ATOM 80 CE LYS A 399 4.536 11.284 8.994 1.00 71.51 C ATOM 81 NZ LYS A 399 4.761 11.578 10.431 1.00 51.43 N ATOM 0 H LYS A 399 1.362 10.069 7.092 1.00 1.03 H new ATOM 0 HA LYS A 399 -0.995 11.718 7.787 1.00 24.21 H new ATOM 0 HB2 LYS A 399 0.254 13.216 9.117 1.00 25.11 H new ATOM 0 HB3 LYS A 399 0.344 11.593 9.771 1.00 25.11 H new ATOM 0 HG2 LYS A 399 2.563 13.267 8.588 1.00 0.41 H new ATOM 0 HG3 LYS A 399 2.444 12.577 10.195 1.00 0.41 H new ATOM 0 HD2 LYS A 399 2.626 10.286 9.162 1.00 53.24 H new ATOM 0 HD3 LYS A 399 2.893 11.052 7.609 1.00 53.24 H new ATOM 0 HE2 LYS A 399 5.032 10.351 8.728 1.00 71.51 H new ATOM 0 HE3 LYS A 399 4.984 12.068 8.384 1.00 71.51 H new ATOM 0 HZ1 LYS A 399 5.748 11.363 10.679 1.00 51.43 H new ATOM 0 HZ2 LYS A 399 4.569 12.584 10.614 1.00 51.43 H new ATOM 0 HZ3 LYS A 399 4.124 10.993 11.009 1.00 51.43 H new ATOM 95 N GLU A 400 -0.602 12.816 5.534 1.00 1.14 N ATOM 96 CA GLU A 400 -0.482 13.663 4.297 1.00 15.51 C ATOM 97 C GLU A 400 -0.441 15.193 4.602 1.00 71.05 C ATOM 98 O GLU A 400 -0.678 15.604 5.733 1.00 43.14 O ATOM 99 CB GLU A 400 -1.527 13.300 3.167 1.00 34.01 C ATOM 100 CG GLU A 400 -2.994 13.216 3.613 1.00 70.41 C ATOM 101 CD GLU A 400 -3.657 14.573 3.742 1.00 51.43 C ATOM 102 OE1 GLU A 400 -3.999 15.163 2.692 1.00 52.25 O ATOM 103 OE2 GLU A 400 -3.840 15.048 4.881 1.00 13.52 O ATOM 0 H GLU A 400 -1.550 12.478 5.699 1.00 1.14 H new ATOM 0 HA GLU A 400 0.493 13.407 3.883 1.00 15.51 H new ATOM 0 HB2 GLU A 400 -1.450 14.045 2.375 1.00 34.01 H new ATOM 0 HB3 GLU A 400 -1.244 12.342 2.732 1.00 34.01 H new ATOM 0 HG2 GLU A 400 -3.551 12.613 2.896 1.00 70.41 H new ATOM 0 HG3 GLU A 400 -3.047 12.700 4.572 1.00 70.41 H new ATOM 110 N GLY A 401 -0.111 16.020 3.586 1.00 20.42 N ATOM 111 CA GLY A 401 0.405 17.382 3.831 1.00 11.04 C ATOM 112 C GLY A 401 -0.541 18.471 3.350 1.00 63.21 C ATOM 113 O GLY A 401 -1.442 18.832 4.119 1.00 64.32 O ATOM 0 H GLY A 401 -0.192 15.771 2.600 1.00 20.42 H new ATOM 0 HA2 GLY A 401 0.585 17.510 4.898 1.00 11.04 H new ATOM 0 HA3 GLY A 401 1.366 17.496 3.330 1.00 11.04 H new ATOM 117 N PRO A 402 -0.412 19.074 2.111 1.00 43.45 N ATOM 118 CA PRO A 402 -1.347 20.128 1.736 1.00 52.41 C ATOM 119 C PRO A 402 -2.599 19.606 1.023 1.00 35.54 C ATOM 120 O PRO A 402 -2.663 18.433 0.622 1.00 12.04 O ATOM 121 CB PRO A 402 -0.460 21.010 0.838 1.00 64.24 C ATOM 122 CG PRO A 402 0.373 20.065 0.079 1.00 11.13 C ATOM 123 CD PRO A 402 0.617 18.879 1.004 1.00 34.50 C ATOM 0 HA PRO A 402 -1.778 20.656 2.587 1.00 52.41 H new ATOM 0 HB2 PRO A 402 -1.063 21.627 0.172 1.00 64.24 H new ATOM 0 HB3 PRO A 402 0.153 21.687 1.432 1.00 64.24 H new ATOM 0 HG2 PRO A 402 -0.130 19.749 -0.835 1.00 11.13 H new ATOM 0 HG3 PRO A 402 1.314 20.527 -0.219 1.00 11.13 H new ATOM 0 HD2 PRO A 402 0.475 17.930 0.486 1.00 34.50 H new ATOM 0 HD3 PRO A 402 1.634 18.879 1.397 1.00 34.50 H new ATOM 131 N GLU A 403 -3.623 20.474 0.947 1.00 44.32 N ATOM 132 CA GLU A 403 -4.625 20.396 -0.096 1.00 14.41 C ATOM 133 C GLU A 403 -3.800 20.430 -1.412 1.00 3.01 C ATOM 134 O GLU A 403 -3.042 21.385 -1.666 1.00 23.31 O ATOM 135 CB GLU A 403 -5.630 21.582 0.106 1.00 50.32 C ATOM 136 CG GLU A 403 -5.600 22.729 -0.916 1.00 54.13 C ATOM 137 CD GLU A 403 -6.581 22.558 -2.079 1.00 20.43 C ATOM 138 OE1 GLU A 403 -6.273 21.794 -3.015 1.00 62.33 O ATOM 139 OE2 GLU A 403 -7.664 23.189 -2.045 1.00 53.02 O ATOM 0 H GLU A 403 -3.767 21.238 1.607 1.00 44.32 H new ATOM 0 HA GLU A 403 -5.249 19.503 -0.098 1.00 14.41 H new ATOM 0 HB2 GLU A 403 -6.638 21.168 0.116 1.00 50.32 H new ATOM 0 HB3 GLU A 403 -5.451 22.008 1.093 1.00 50.32 H new ATOM 0 HG2 GLU A 403 -5.822 23.664 -0.402 1.00 54.13 H new ATOM 0 HG3 GLU A 403 -4.590 22.817 -1.317 1.00 54.13 H new ATOM 146 N GLY A 404 -3.814 19.348 -2.182 1.00 75.04 N ATOM 147 CA GLY A 404 -2.810 19.225 -3.189 1.00 34.20 C ATOM 148 C GLY A 404 -2.608 17.815 -3.771 1.00 0.42 C ATOM 149 O GLY A 404 -2.997 17.549 -4.903 1.00 64.31 O ATOM 0 H GLY A 404 -4.485 18.582 -2.122 1.00 75.04 H new ATOM 0 HA2 GLY A 404 -3.059 19.902 -4.006 1.00 34.20 H new ATOM 0 HA3 GLY A 404 -1.862 19.564 -2.772 1.00 34.20 H new ATOM 153 N ALA A 405 -1.981 16.914 -2.987 1.00 53.00 N ATOM 154 CA ALA A 405 -1.478 15.634 -3.487 1.00 24.03 C ATOM 155 C ALA A 405 -2.018 14.423 -2.634 1.00 1.34 C ATOM 156 O ALA A 405 -1.675 14.321 -1.453 1.00 50.41 O ATOM 157 CB ALA A 405 0.013 15.792 -3.250 1.00 21.32 C ATOM 0 H ALA A 405 -1.813 17.060 -1.992 1.00 53.00 H new ATOM 0 HA ALA A 405 -1.771 15.425 -4.516 1.00 24.03 H new ATOM 0 HB1 ALA A 405 0.532 14.893 -3.583 1.00 21.32 H new ATOM 0 HB2 ALA A 405 0.381 16.651 -3.810 1.00 21.32 H new ATOM 0 HB3 ALA A 405 0.198 15.945 -2.187 1.00 21.32 H new ATOM 163 N ASN A 406 -2.854 13.506 -3.228 1.00 63.30 N ATOM 164 CA ASN A 406 -3.083 12.064 -2.704 1.00 31.10 C ATOM 165 C ASN A 406 -3.477 11.020 -3.864 1.00 20.31 C ATOM 166 O ASN A 406 -4.578 11.162 -4.404 1.00 54.22 O ATOM 167 CB ASN A 406 -4.225 12.096 -1.612 1.00 44.43 C ATOM 168 CG ASN A 406 -5.081 13.355 -1.625 1.00 31.11 C ATOM 169 OD1 ASN A 406 -5.944 13.540 -2.492 1.00 24.42 O ATOM 170 ND2 ASN A 406 -4.900 14.191 -0.591 1.00 1.22 N ATOM 0 H ASN A 406 -3.390 13.716 -4.070 1.00 63.30 H new ATOM 0 HA ASN A 406 -2.140 11.718 -2.281 1.00 31.10 H new ATOM 0 HB2 ASN A 406 -4.872 11.231 -1.757 1.00 44.43 H new ATOM 0 HB3 ASN A 406 -3.770 11.992 -0.627 1.00 44.43 H new ATOM 0 HD21 ASN A 406 -5.487 15.020 -0.496 1.00 1.22 H new ATOM 0 HD22 ASN A 406 -4.175 13.998 0.100 1.00 1.22 H new ATOM 177 N LEU A 407 -2.652 9.930 -4.228 1.00 51.34 N ATOM 178 CA LEU A 407 -3.125 8.877 -5.197 1.00 3.32 C ATOM 179 C LEU A 407 -3.207 7.442 -4.495 1.00 4.33 C ATOM 180 O LEU A 407 -2.291 7.116 -3.726 1.00 53.54 O ATOM 181 CB LEU A 407 -2.241 8.889 -6.536 1.00 22.00 C ATOM 182 CG LEU A 407 -0.692 8.575 -6.593 1.00 74.20 C ATOM 183 CD1 LEU A 407 0.170 9.441 -5.733 1.00 42.02 C ATOM 184 CD2 LEU A 407 -0.330 7.127 -6.374 1.00 34.22 C ATOM 0 H LEU A 407 -1.708 9.784 -3.871 1.00 51.34 H new ATOM 0 HA LEU A 407 -4.143 9.116 -5.506 1.00 3.32 H new ATOM 0 HB2 LEU A 407 -2.717 8.184 -7.217 1.00 22.00 H new ATOM 0 HB3 LEU A 407 -2.363 9.882 -6.969 1.00 22.00 H new ATOM 0 HG LEU A 407 -0.469 8.824 -7.630 1.00 74.20 H new ATOM 0 HD11 LEU A 407 1.212 9.143 -5.846 1.00 42.02 H new ATOM 0 HD12 LEU A 407 0.056 10.482 -6.035 1.00 42.02 H new ATOM 0 HD13 LEU A 407 -0.128 9.330 -4.690 1.00 42.02 H new ATOM 0 HD21 LEU A 407 0.752 7.010 -6.431 1.00 34.22 H new ATOM 0 HD22 LEU A 407 -0.678 6.810 -5.391 1.00 34.22 H new ATOM 0 HD23 LEU A 407 -0.802 6.514 -7.141 1.00 34.22 H new ATOM 196 N PHE A 408 -4.299 6.596 -4.690 1.00 55.14 N ATOM 197 CA PHE A 408 -4.337 5.195 -4.122 1.00 22.51 C ATOM 198 C PHE A 408 -4.378 4.125 -5.270 1.00 52.11 C ATOM 199 O PHE A 408 -4.778 4.445 -6.396 1.00 54.24 O ATOM 200 CB PHE A 408 -5.500 4.938 -3.069 1.00 43.42 C ATOM 201 CG PHE A 408 -5.526 5.842 -1.827 1.00 14.15 C ATOM 202 CD1 PHE A 408 -4.355 6.270 -1.187 1.00 73.04 C ATOM 203 CD2 PHE A 408 -6.746 6.253 -1.285 1.00 4.20 C ATOM 204 CE1 PHE A 408 -4.403 7.082 -0.058 1.00 55.44 C ATOM 205 CE2 PHE A 408 -6.794 7.057 -0.158 1.00 50.31 C ATOM 206 CZ PHE A 408 -5.625 7.474 0.452 1.00 53.55 C ATOM 0 H PHE A 408 -5.132 6.857 -5.218 1.00 55.14 H new ATOM 0 HA PHE A 408 -3.410 5.090 -3.559 1.00 22.51 H new ATOM 0 HB2 PHE A 408 -6.454 5.043 -3.585 1.00 43.42 H new ATOM 0 HB3 PHE A 408 -5.431 3.903 -2.734 1.00 43.42 H new ATOM 0 HD1 PHE A 408 -3.396 5.963 -1.578 1.00 73.04 H new ATOM 0 HD2 PHE A 408 -7.667 5.939 -1.752 1.00 4.20 H new ATOM 0 HE1 PHE A 408 -3.488 7.404 0.417 1.00 55.44 H new ATOM 0 HE2 PHE A 408 -7.749 7.360 0.246 1.00 50.31 H new ATOM 0 HZ PHE A 408 -5.668 8.106 1.327 1.00 53.55 H new ATOM 216 N ILE A 409 -3.973 2.848 -4.977 1.00 13.43 N ATOM 217 CA ILE A 409 -3.658 1.830 -6.088 1.00 51.32 C ATOM 218 C ILE A 409 -4.826 0.740 -6.151 1.00 33.23 C ATOM 219 O ILE A 409 -4.986 0.008 -5.182 1.00 5.41 O ATOM 220 CB ILE A 409 -2.212 1.076 -5.961 1.00 0.24 C ATOM 221 CG1 ILE A 409 -0.934 1.982 -6.296 1.00 34.34 C ATOM 222 CG2 ILE A 409 -2.116 -0.203 -6.881 1.00 75.53 C ATOM 223 CD1 ILE A 409 -0.833 3.468 -5.867 1.00 74.53 C ATOM 0 H ILE A 409 -3.854 2.490 -4.029 1.00 13.43 H new ATOM 0 HA ILE A 409 -3.596 2.412 -7.007 1.00 51.32 H new ATOM 0 HB ILE A 409 -2.181 0.813 -4.904 1.00 0.24 H new ATOM 0 HG12 ILE A 409 -0.070 1.474 -5.867 1.00 34.34 H new ATOM 0 HG13 ILE A 409 -0.811 1.961 -7.379 1.00 34.34 H new ATOM 0 HG21 ILE A 409 -1.137 -0.666 -6.759 1.00 75.53 H new ATOM 0 HG22 ILE A 409 -2.892 -0.914 -6.597 1.00 75.53 H new ATOM 0 HG23 ILE A 409 -2.253 0.087 -7.923 1.00 75.53 H new ATOM 0 HD11 ILE A 409 0.119 3.879 -6.202 1.00 74.53 H new ATOM 0 HD12 ILE A 409 -1.650 4.033 -6.316 1.00 74.53 H new ATOM 0 HD13 ILE A 409 -0.897 3.538 -4.781 1.00 74.53 H new ATOM 235 N TYR A 410 -5.661 0.644 -7.254 1.00 33.40 N ATOM 236 CA TYR A 410 -6.641 -0.476 -7.445 1.00 61.23 C ATOM 237 C TYR A 410 -6.029 -1.546 -8.391 1.00 72.44 C ATOM 238 O TYR A 410 -5.382 -1.173 -9.371 1.00 22.00 O ATOM 239 CB TYR A 410 -7.974 0.138 -8.037 1.00 20.23 C ATOM 240 CG TYR A 410 -9.193 0.279 -7.131 1.00 32.40 C ATOM 241 CD1 TYR A 410 -9.148 0.951 -5.904 1.00 50.11 C ATOM 242 CD2 TYR A 410 -10.428 -0.223 -7.551 1.00 33.43 C ATOM 243 CE1 TYR A 410 -10.290 1.095 -5.131 1.00 23.23 C ATOM 244 CE2 TYR A 410 -11.560 -0.080 -6.784 1.00 25.15 C ATOM 245 CZ TYR A 410 -11.493 0.579 -5.575 1.00 72.12 C ATOM 246 OH TYR A 410 -12.626 0.715 -4.806 1.00 72.30 O ATOM 0 H TYR A 410 -5.667 1.328 -8.011 1.00 33.40 H new ATOM 0 HA TYR A 410 -6.867 -0.969 -6.499 1.00 61.23 H new ATOM 0 HB2 TYR A 410 -7.736 1.129 -8.424 1.00 20.23 H new ATOM 0 HB3 TYR A 410 -8.267 -0.475 -8.889 1.00 20.23 H new ATOM 0 HD1 TYR A 410 -8.212 1.362 -5.555 1.00 50.11 H new ATOM 0 HD2 TYR A 410 -10.495 -0.735 -8.500 1.00 33.43 H new ATOM 0 HE1 TYR A 410 -10.240 1.610 -4.183 1.00 23.23 H new ATOM 0 HE2 TYR A 410 -12.501 -0.484 -7.128 1.00 25.15 H new ATOM 0 HH TYR A 410 -13.385 0.297 -5.265 1.00 72.30 H new ATOM 256 N HIS A 411 -6.202 -2.883 -8.065 1.00 4.33 N ATOM 257 CA HIS A 411 -5.561 -4.008 -8.820 1.00 2.32 C ATOM 258 C HIS A 411 -4.021 -4.075 -8.642 1.00 54.53 C ATOM 259 O HIS A 411 -3.282 -3.773 -9.583 1.00 32.34 O ATOM 260 CB HIS A 411 -5.887 -4.033 -10.307 1.00 10.33 C ATOM 261 CG HIS A 411 -7.303 -4.334 -10.694 1.00 53.24 C ATOM 262 ND1 HIS A 411 -8.253 -4.926 -9.874 1.00 22.32 N ATOM 263 CD2 HIS A 411 -7.924 -4.084 -11.858 1.00 31.11 C ATOM 264 CE1 HIS A 411 -9.399 -5.015 -10.537 1.00 53.43 C ATOM 265 NE2 HIS A 411 -9.224 -4.504 -11.742 1.00 21.32 N ATOM 0 H HIS A 411 -6.781 -3.194 -7.285 1.00 4.33 H new ATOM 0 HA HIS A 411 -6.009 -4.890 -8.363 1.00 2.32 H new ATOM 0 HB2 HIS A 411 -5.621 -3.063 -10.727 1.00 10.33 H new ATOM 0 HB3 HIS A 411 -5.243 -4.773 -10.781 1.00 10.33 H new ATOM 0 HD2 HIS A 411 -7.478 -3.632 -12.732 1.00 31.11 H new ATOM 0 HE1 HIS A 411 -10.319 -5.434 -10.156 1.00 53.43 H new ATOM 0 HE2 HIS A 411 -9.938 -4.433 -12.467 1.00 21.32 H new ATOM 274 N LEU A 412 -3.541 -4.407 -7.424 1.00 24.21 N ATOM 275 CA LEU A 412 -2.096 -4.453 -7.128 1.00 74.13 C ATOM 276 C LEU A 412 -1.476 -5.724 -7.783 1.00 11.20 C ATOM 277 O LEU A 412 -1.946 -6.830 -7.481 1.00 71.22 O ATOM 278 CB LEU A 412 -1.828 -4.384 -5.562 1.00 35.14 C ATOM 279 CG LEU A 412 -0.438 -4.842 -5.030 1.00 3.51 C ATOM 280 CD1 LEU A 412 0.175 -3.819 -4.075 1.00 55.44 C ATOM 281 CD2 LEU A 412 -0.517 -6.179 -4.275 1.00 53.44 C ATOM 0 H LEU A 412 -4.135 -4.647 -6.630 1.00 24.21 H new ATOM 0 HA LEU A 412 -1.608 -3.578 -7.558 1.00 74.13 H new ATOM 0 HB2 LEU A 412 -1.983 -3.353 -5.243 1.00 35.14 H new ATOM 0 HB3 LEU A 412 -2.589 -4.988 -5.068 1.00 35.14 H new ATOM 0 HG LEU A 412 0.185 -4.950 -5.918 1.00 3.51 H new ATOM 0 HD11 LEU A 412 1.144 -4.179 -3.729 1.00 55.44 H new ATOM 0 HD12 LEU A 412 0.306 -2.869 -4.594 1.00 55.44 H new ATOM 0 HD13 LEU A 412 -0.486 -3.677 -3.220 1.00 55.44 H new ATOM 0 HD21 LEU A 412 0.476 -6.457 -3.923 1.00 53.44 H new ATOM 0 HD22 LEU A 412 -1.188 -6.076 -3.423 1.00 53.44 H new ATOM 0 HD23 LEU A 412 -0.895 -6.953 -4.943 1.00 53.44 H new ATOM 293 N PRO A 413 -0.485 -5.613 -8.748 1.00 10.20 N ATOM 294 CA PRO A 413 0.224 -6.792 -9.311 1.00 3.45 C ATOM 295 C PRO A 413 1.107 -7.621 -8.323 1.00 54.54 C ATOM 296 O PRO A 413 1.252 -7.282 -7.149 1.00 45.51 O ATOM 297 CB PRO A 413 0.970 -6.284 -10.517 1.00 21.54 C ATOM 298 CG PRO A 413 1.121 -4.833 -10.344 1.00 74.02 C ATOM 299 CD PRO A 413 -0.017 -4.360 -9.468 1.00 64.54 C ATOM 0 HA PRO A 413 -0.513 -7.550 -9.577 1.00 3.45 H new ATOM 0 HB2 PRO A 413 1.944 -6.767 -10.600 1.00 21.54 H new ATOM 0 HB3 PRO A 413 0.423 -6.509 -11.433 1.00 21.54 H new ATOM 0 HG2 PRO A 413 2.081 -4.599 -9.885 1.00 74.02 H new ATOM 0 HG3 PRO A 413 1.098 -4.327 -11.309 1.00 74.02 H new ATOM 0 HD2 PRO A 413 0.314 -3.597 -8.763 1.00 64.54 H new ATOM 0 HD3 PRO A 413 -0.819 -3.920 -10.061 1.00 64.54 H new ATOM 307 N GLN A 414 1.727 -8.692 -8.874 1.00 75.33 N ATOM 308 CA GLN A 414 1.993 -10.019 -8.277 1.00 21.11 C ATOM 309 C GLN A 414 2.218 -10.209 -6.712 1.00 71.43 C ATOM 310 O GLN A 414 1.347 -10.833 -6.112 1.00 31.34 O ATOM 311 CB GLN A 414 3.295 -10.469 -9.019 1.00 22.23 C ATOM 312 CG GLN A 414 4.303 -9.326 -9.381 1.00 2.21 C ATOM 313 CD GLN A 414 5.477 -9.198 -8.418 1.00 73.12 C ATOM 314 OE1 GLN A 414 5.942 -10.184 -7.846 1.00 52.12 O ATOM 315 NE2 GLN A 414 5.938 -7.969 -8.224 1.00 31.43 N ATOM 0 H GLN A 414 2.083 -8.644 -9.829 1.00 75.33 H new ATOM 0 HA GLN A 414 1.071 -10.588 -8.399 1.00 21.11 H new ATOM 0 HB2 GLN A 414 3.812 -11.199 -8.396 1.00 22.23 H new ATOM 0 HB3 GLN A 414 3.009 -10.980 -9.938 1.00 22.23 H new ATOM 0 HG2 GLN A 414 4.689 -9.502 -10.385 1.00 2.21 H new ATOM 0 HG3 GLN A 414 3.765 -8.378 -9.408 1.00 2.21 H new ATOM 0 HE21 GLN A 414 5.520 -7.183 -8.722 1.00 31.43 H new ATOM 0 HE22 GLN A 414 6.711 -7.810 -7.577 1.00 31.43 H new ATOM 324 N GLU A 415 3.270 -9.719 -6.024 1.00 53.35 N ATOM 325 CA GLU A 415 3.277 -9.773 -4.524 1.00 14.23 C ATOM 326 C GLU A 415 3.266 -8.387 -3.857 1.00 52.42 C ATOM 327 O GLU A 415 3.235 -8.327 -2.620 1.00 45.32 O ATOM 328 CB GLU A 415 4.429 -10.697 -3.964 1.00 2.22 C ATOM 329 CG GLU A 415 5.737 -10.023 -3.496 1.00 61.51 C ATOM 330 CD GLU A 415 6.552 -9.338 -4.596 1.00 40.41 C ATOM 331 OE1 GLU A 415 7.404 -10.015 -5.213 1.00 53.42 O ATOM 332 OE2 GLU A 415 6.356 -8.126 -4.830 1.00 10.55 O ATOM 0 H GLU A 415 4.097 -9.297 -6.447 1.00 53.35 H new ATOM 0 HA GLU A 415 2.331 -10.237 -4.246 1.00 14.23 H new ATOM 0 HB2 GLU A 415 4.025 -11.262 -3.124 1.00 2.22 H new ATOM 0 HB3 GLU A 415 4.685 -11.419 -4.740 1.00 2.22 H new ATOM 0 HG2 GLU A 415 5.492 -9.283 -2.734 1.00 61.51 H new ATOM 0 HG3 GLU A 415 6.364 -10.776 -3.019 1.00 61.51 H new ATOM 339 N PHE A 416 3.058 -7.307 -4.648 1.00 2.14 N ATOM 340 CA PHE A 416 3.881 -6.040 -4.472 1.00 51.34 C ATOM 341 C PHE A 416 3.857 -5.527 -2.985 1.00 24.41 C ATOM 342 O PHE A 416 2.850 -4.971 -2.549 1.00 62.41 O ATOM 343 CB PHE A 416 3.377 -4.860 -5.389 1.00 71.04 C ATOM 344 CG PHE A 416 4.162 -4.363 -6.575 1.00 22.13 C ATOM 345 CD1 PHE A 416 5.202 -5.031 -7.240 1.00 31.15 C ATOM 346 CD2 PHE A 416 3.789 -3.106 -7.025 1.00 20.43 C ATOM 347 CE1 PHE A 416 5.827 -4.435 -8.319 1.00 70.42 C ATOM 348 CE2 PHE A 416 4.403 -2.518 -8.102 1.00 21.52 C ATOM 349 CZ PHE A 416 5.429 -3.176 -8.751 1.00 14.51 C ATOM 0 H PHE A 416 2.361 -7.264 -5.392 1.00 2.14 H new ATOM 0 HA PHE A 416 4.895 -6.319 -4.759 1.00 51.34 H new ATOM 0 HB2 PHE A 416 2.397 -5.154 -5.765 1.00 71.04 H new ATOM 0 HB3 PHE A 416 3.223 -4.001 -4.735 1.00 71.04 H new ATOM 0 HD1 PHE A 416 5.514 -6.010 -6.909 1.00 31.15 H new ATOM 0 HD2 PHE A 416 2.997 -2.577 -6.516 1.00 20.43 H new ATOM 0 HE1 PHE A 416 6.628 -4.950 -8.828 1.00 70.42 H new ATOM 0 HE2 PHE A 416 4.085 -1.543 -8.441 1.00 21.52 H new ATOM 0 HZ PHE A 416 5.921 -2.713 -9.593 1.00 14.51 H new ATOM 359 N GLY A 417 4.954 -5.754 -2.192 1.00 34.02 N ATOM 360 CA GLY A 417 4.954 -5.418 -0.767 1.00 31.23 C ATOM 361 C GLY A 417 5.657 -4.082 -0.404 1.00 43.12 C ATOM 362 O GLY A 417 6.033 -3.332 -1.305 1.00 20.51 O ATOM 0 H GLY A 417 5.826 -6.162 -2.529 1.00 34.02 H new ATOM 0 HA2 GLY A 417 3.922 -5.373 -0.421 1.00 31.23 H new ATOM 0 HA3 GLY A 417 5.439 -6.226 -0.219 1.00 31.23 H new ATOM 366 N ASP A 418 5.829 -3.806 0.933 1.00 3.11 N ATOM 367 CA ASP A 418 6.311 -2.491 1.490 1.00 51.12 C ATOM 368 C ASP A 418 7.571 -1.895 0.807 1.00 11.14 C ATOM 369 O ASP A 418 7.570 -0.722 0.431 1.00 53.52 O ATOM 370 CB ASP A 418 6.567 -2.592 3.029 1.00 32.41 C ATOM 371 CG ASP A 418 6.689 -1.239 3.701 1.00 53.20 C ATOM 372 OD1 ASP A 418 5.643 -0.687 4.098 1.00 22.34 O ATOM 373 OD2 ASP A 418 7.830 -0.772 3.893 1.00 33.31 O ATOM 0 H ASP A 418 5.635 -4.495 1.659 1.00 3.11 H new ATOM 0 HA ASP A 418 5.495 -1.802 1.272 1.00 51.12 H new ATOM 0 HB2 ASP A 418 5.752 -3.148 3.491 1.00 32.41 H new ATOM 0 HB3 ASP A 418 7.480 -3.161 3.203 1.00 32.41 H new ATOM 378 N GLN A 419 8.630 -2.705 0.658 1.00 53.00 N ATOM 379 CA GLN A 419 9.906 -2.237 0.101 1.00 50.32 C ATOM 380 C GLN A 419 9.841 -1.905 -1.403 1.00 74.53 C ATOM 381 O GLN A 419 10.501 -0.951 -1.815 1.00 21.42 O ATOM 382 CB GLN A 419 11.079 -3.222 0.391 1.00 4.34 C ATOM 383 CG GLN A 419 11.066 -4.524 -0.403 1.00 64.51 C ATOM 384 CD GLN A 419 10.210 -5.616 0.225 1.00 74.43 C ATOM 385 OE1 GLN A 419 10.685 -6.377 1.067 1.00 21.04 O ATOM 386 NE2 GLN A 419 8.954 -5.725 -0.193 1.00 70.11 N ATOM 0 H GLN A 419 8.626 -3.692 0.917 1.00 53.00 H new ATOM 0 HA GLN A 419 10.108 -1.302 0.623 1.00 50.32 H new ATOM 0 HB2 GLN A 419 12.019 -2.707 0.192 1.00 4.34 H new ATOM 0 HB3 GLN A 419 11.069 -3.466 1.453 1.00 4.34 H new ATOM 0 HG2 GLN A 419 10.700 -4.322 -1.410 1.00 64.51 H new ATOM 0 HG3 GLN A 419 12.088 -4.888 -0.503 1.00 64.51 H new ATOM 0 HE21 GLN A 419 8.591 -5.077 -0.893 1.00 70.11 H new ATOM 0 HE22 GLN A 419 8.352 -6.456 0.186 1.00 70.11 H new ATOM 395 N ASP A 420 9.058 -2.669 -2.229 1.00 63.04 N ATOM 396 CA ASP A 420 8.975 -2.350 -3.680 1.00 41.45 C ATOM 397 C ASP A 420 8.419 -0.946 -3.921 1.00 70.33 C ATOM 398 O ASP A 420 9.019 -0.196 -4.699 1.00 20.32 O ATOM 399 CB ASP A 420 8.205 -3.375 -4.566 1.00 12.12 C ATOM 400 CG ASP A 420 7.419 -2.724 -5.680 1.00 61.14 C ATOM 401 OD1 ASP A 420 6.257 -2.364 -5.423 1.00 64.41 O ATOM 402 OD2 ASP A 420 7.972 -2.551 -6.790 1.00 10.31 O ATOM 0 H ASP A 420 8.503 -3.470 -1.928 1.00 63.04 H new ATOM 0 HA ASP A 420 10.014 -2.410 -4.003 1.00 41.45 H new ATOM 0 HB2 ASP A 420 8.916 -4.081 -4.996 1.00 12.12 H new ATOM 0 HB3 ASP A 420 7.525 -3.950 -3.938 1.00 12.12 H new ATOM 407 N ILE A 421 7.284 -0.605 -3.251 1.00 25.31 N ATOM 408 CA ILE A 421 6.542 0.641 -3.536 1.00 63.44 C ATOM 409 C ILE A 421 7.419 1.917 -3.319 1.00 1.25 C ATOM 410 O ILE A 421 7.123 2.984 -3.856 1.00 11.24 O ATOM 411 CB ILE A 421 5.159 0.713 -2.692 1.00 22.14 C ATOM 412 CG1 ILE A 421 3.882 0.895 -3.601 1.00 63.43 C ATOM 413 CG2 ILE A 421 5.157 1.739 -1.547 1.00 63.11 C ATOM 414 CD1 ILE A 421 2.636 1.498 -2.950 1.00 40.41 C ATOM 0 H ILE A 421 6.870 -1.177 -2.515 1.00 25.31 H new ATOM 0 HA ILE A 421 6.281 0.619 -4.594 1.00 63.44 H new ATOM 0 HB ILE A 421 5.103 -0.270 -2.224 1.00 22.14 H new ATOM 0 HG12 ILE A 421 4.158 1.524 -4.448 1.00 63.43 H new ATOM 0 HG13 ILE A 421 3.613 -0.082 -4.004 1.00 63.43 H new ATOM 0 HG21 ILE A 421 4.192 1.716 -1.040 1.00 63.11 H new ATOM 0 HG22 ILE A 421 5.946 1.493 -0.837 1.00 63.11 H new ATOM 0 HG23 ILE A 421 5.331 2.736 -1.952 1.00 63.11 H new ATOM 0 HD11 ILE A 421 1.836 1.565 -3.688 1.00 40.41 H new ATOM 0 HD12 ILE A 421 2.315 0.864 -2.123 1.00 40.41 H new ATOM 0 HD13 ILE A 421 2.868 2.495 -2.574 1.00 40.41 H new ATOM 426 N LEU A 422 8.536 1.759 -2.586 1.00 31.13 N ATOM 427 CA LEU A 422 9.330 2.850 -2.143 1.00 5.43 C ATOM 428 C LEU A 422 10.384 3.164 -3.231 1.00 44.23 C ATOM 429 O LEU A 422 10.724 4.317 -3.467 1.00 20.25 O ATOM 430 CB LEU A 422 9.966 2.503 -0.733 1.00 25.45 C ATOM 431 CG LEU A 422 11.007 3.486 -0.103 1.00 55.44 C ATOM 432 CD1 LEU A 422 10.452 4.884 0.242 1.00 13.11 C ATOM 433 CD2 LEU A 422 11.603 2.902 1.172 1.00 71.24 C ATOM 0 H LEU A 422 8.891 0.848 -2.297 1.00 31.13 H new ATOM 0 HA LEU A 422 8.730 3.749 -1.999 1.00 5.43 H new ATOM 0 HB2 LEU A 422 9.147 2.392 -0.022 1.00 25.45 H new ATOM 0 HB3 LEU A 422 10.446 1.528 -0.821 1.00 25.45 H new ATOM 0 HG LEU A 422 11.759 3.611 -0.882 1.00 55.44 H new ATOM 0 HD11 LEU A 422 11.246 5.494 0.673 1.00 13.11 H new ATOM 0 HD12 LEU A 422 10.079 5.361 -0.664 1.00 13.11 H new ATOM 0 HD13 LEU A 422 9.639 4.785 0.961 1.00 13.11 H new ATOM 0 HD21 LEU A 422 12.324 3.604 1.591 1.00 71.24 H new ATOM 0 HD22 LEU A 422 10.808 2.722 1.896 1.00 71.24 H new ATOM 0 HD23 LEU A 422 12.104 1.962 0.942 1.00 71.24 H new ATOM 445 N GLN A 423 10.859 2.094 -3.904 1.00 73.32 N ATOM 446 CA GLN A 423 11.894 2.182 -5.001 1.00 12.32 C ATOM 447 C GLN A 423 11.286 2.432 -6.391 1.00 64.32 C ATOM 448 O GLN A 423 11.681 3.384 -7.059 1.00 12.04 O ATOM 449 CB GLN A 423 12.772 0.885 -5.140 1.00 72.52 C ATOM 450 CG GLN A 423 13.654 0.490 -3.942 1.00 13.11 C ATOM 451 CD GLN A 423 13.650 -1.024 -3.632 1.00 22.04 C ATOM 452 OE1 GLN A 423 14.637 -1.530 -3.106 1.00 23.20 O ATOM 453 NE2 GLN A 423 12.572 -1.786 -3.951 1.00 74.25 N ATOM 0 H GLN A 423 10.549 1.141 -3.716 1.00 73.32 H new ATOM 0 HA GLN A 423 12.507 3.028 -4.689 1.00 12.32 H new ATOM 0 HB2 GLN A 423 12.106 0.050 -5.357 1.00 72.52 H new ATOM 0 HB3 GLN A 423 13.420 1.009 -6.008 1.00 72.52 H new ATOM 0 HG2 GLN A 423 14.678 0.808 -4.137 1.00 13.11 H new ATOM 0 HG3 GLN A 423 13.315 1.032 -3.059 1.00 13.11 H new ATOM 0 HE21 GLN A 423 11.756 -1.358 -4.388 1.00 74.25 H new ATOM 0 HE22 GLN A 423 12.578 -2.787 -3.754 1.00 74.25 H new ATOM 462 N MET A 424 10.372 1.548 -6.844 1.00 23.04 N ATOM 463 CA MET A 424 9.800 1.653 -8.227 1.00 35.34 C ATOM 464 C MET A 424 8.923 2.940 -8.426 1.00 62.35 C ATOM 465 O MET A 424 8.754 3.383 -9.563 1.00 14.24 O ATOM 466 CB MET A 424 9.058 0.314 -8.688 1.00 22.41 C ATOM 467 CG MET A 424 8.574 0.236 -10.179 1.00 72.40 C ATOM 468 SD MET A 424 9.867 0.654 -11.363 1.00 51.20 S ATOM 469 CE MET A 424 8.899 0.731 -12.871 1.00 42.10 C ATOM 0 H MET A 424 10.013 0.766 -6.296 1.00 23.04 H new ATOM 0 HA MET A 424 10.650 1.769 -8.899 1.00 35.34 H new ATOM 0 HB2 MET A 424 9.731 -0.524 -8.508 1.00 22.41 H new ATOM 0 HB3 MET A 424 8.191 0.170 -8.044 1.00 22.41 H new ATOM 0 HG2 MET A 424 8.212 -0.771 -10.385 1.00 72.40 H new ATOM 0 HG3 MET A 424 7.730 0.912 -10.317 1.00 72.40 H new ATOM 0 HE1 MET A 424 9.550 0.981 -13.709 1.00 42.10 H new ATOM 0 HE2 MET A 424 8.430 -0.236 -13.052 1.00 42.10 H new ATOM 0 HE3 MET A 424 8.128 1.495 -12.770 1.00 42.10 H new ATOM 479 N PHE A 425 8.397 3.593 -7.349 1.00 73.01 N ATOM 480 CA PHE A 425 7.607 4.816 -7.529 1.00 71.43 C ATOM 481 C PHE A 425 8.471 6.090 -7.198 1.00 51.15 C ATOM 482 O PHE A 425 7.992 7.218 -7.292 1.00 13.11 O ATOM 483 CB PHE A 425 6.272 4.648 -6.736 1.00 73.24 C ATOM 484 CG PHE A 425 5.001 4.531 -7.583 1.00 73.22 C ATOM 485 CD1 PHE A 425 4.316 5.662 -8.051 1.00 4.22 C ATOM 486 CD2 PHE A 425 4.474 3.275 -7.907 1.00 63.14 C ATOM 487 CE1 PHE A 425 3.176 5.529 -8.805 1.00 44.03 C ATOM 488 CE2 PHE A 425 3.321 3.151 -8.667 1.00 24.42 C ATOM 489 CZ PHE A 425 2.674 4.280 -9.110 1.00 4.52 C ATOM 0 H PHE A 425 8.509 3.293 -6.381 1.00 73.01 H new ATOM 0 HA PHE A 425 7.320 4.979 -8.568 1.00 71.43 H new ATOM 0 HB2 PHE A 425 6.352 3.758 -6.112 1.00 73.24 H new ATOM 0 HB3 PHE A 425 6.161 5.500 -6.065 1.00 73.24 H new ATOM 0 HD1 PHE A 425 4.689 6.648 -7.816 1.00 4.22 H new ATOM 0 HD2 PHE A 425 4.976 2.385 -7.558 1.00 63.14 H new ATOM 0 HE1 PHE A 425 2.667 6.411 -9.163 1.00 44.03 H new ATOM 0 HE2 PHE A 425 2.933 2.173 -8.910 1.00 24.42 H new ATOM 0 HZ PHE A 425 1.772 4.190 -9.697 1.00 4.52 H new ATOM 499 N MET A 426 9.773 5.881 -6.826 1.00 71.34 N ATOM 500 CA MET A 426 10.719 6.938 -6.370 1.00 44.24 C ATOM 501 C MET A 426 11.177 7.975 -7.443 1.00 13.43 C ATOM 502 O MET A 426 11.200 9.155 -7.099 1.00 52.11 O ATOM 503 CB MET A 426 12.015 6.330 -5.795 1.00 14.32 C ATOM 504 CG MET A 426 12.460 6.978 -4.498 1.00 0.42 C ATOM 505 SD MET A 426 14.181 6.635 -4.042 1.00 43.02 S ATOM 506 CE MET A 426 14.208 4.848 -3.888 1.00 10.11 C ATOM 0 H MET A 426 10.197 4.953 -6.837 1.00 71.34 H new ATOM 0 HA MET A 426 10.121 7.464 -5.626 1.00 44.24 H new ATOM 0 HB2 MET A 426 11.864 5.264 -5.627 1.00 14.32 H new ATOM 0 HB3 MET A 426 12.811 6.427 -6.533 1.00 14.32 H new ATOM 0 HG2 MET A 426 12.327 8.057 -4.580 1.00 0.42 H new ATOM 0 HG3 MET A 426 11.809 6.637 -3.693 1.00 0.42 H new ATOM 0 HE1 MET A 426 15.113 4.542 -3.363 1.00 10.11 H new ATOM 0 HE2 MET A 426 13.334 4.518 -3.327 1.00 10.11 H new ATOM 0 HE3 MET A 426 14.194 4.397 -4.880 1.00 10.11 H new ATOM 516 N PRO A 427 11.640 7.587 -8.709 1.00 21.25 N ATOM 517 CA PRO A 427 12.181 8.546 -9.748 1.00 44.13 C ATOM 518 C PRO A 427 11.263 9.756 -10.178 1.00 44.45 C ATOM 519 O PRO A 427 11.617 10.474 -11.108 1.00 14.21 O ATOM 520 CB PRO A 427 12.517 7.582 -10.927 1.00 14.13 C ATOM 521 CG PRO A 427 11.602 6.452 -10.702 1.00 74.34 C ATOM 522 CD PRO A 427 11.792 6.205 -9.252 1.00 23.44 C ATOM 0 HA PRO A 427 13.024 9.111 -9.350 1.00 44.13 H new ATOM 0 HB2 PRO A 427 12.346 8.053 -11.895 1.00 14.13 H new ATOM 0 HB3 PRO A 427 13.560 7.267 -10.906 1.00 14.13 H new ATOM 0 HG2 PRO A 427 10.570 6.705 -10.944 1.00 74.34 H new ATOM 0 HG3 PRO A 427 11.867 5.583 -11.305 1.00 74.34 H new ATOM 0 HD2 PRO A 427 11.047 5.519 -8.849 1.00 23.44 H new ATOM 0 HD3 PRO A 427 12.771 5.779 -9.030 1.00 23.44 H new ATOM 530 N PHE A 428 10.092 9.970 -9.524 1.00 21.02 N ATOM 531 CA PHE A 428 9.258 11.187 -9.750 1.00 53.21 C ATOM 532 C PHE A 428 9.035 12.088 -8.475 1.00 4.32 C ATOM 533 O PHE A 428 8.121 12.924 -8.492 1.00 33.34 O ATOM 534 CB PHE A 428 7.872 10.892 -10.435 1.00 52.22 C ATOM 535 CG PHE A 428 7.677 9.593 -11.239 1.00 24.35 C ATOM 536 CD1 PHE A 428 7.967 9.554 -12.601 1.00 53.20 C ATOM 537 CD2 PHE A 428 7.114 8.447 -10.664 1.00 22.03 C ATOM 538 CE1 PHE A 428 7.721 8.415 -13.353 1.00 1.12 C ATOM 539 CE2 PHE A 428 6.862 7.308 -11.420 1.00 44.11 C ATOM 540 CZ PHE A 428 7.165 7.296 -12.762 1.00 24.23 C ATOM 0 H PHE A 428 9.703 9.322 -8.839 1.00 21.02 H new ATOM 0 HA PHE A 428 9.872 11.759 -10.446 1.00 53.21 H new ATOM 0 HB2 PHE A 428 7.113 10.907 -9.653 1.00 52.22 H new ATOM 0 HB3 PHE A 428 7.657 11.724 -11.105 1.00 52.22 H new ATOM 0 HD1 PHE A 428 8.390 10.425 -13.079 1.00 53.20 H new ATOM 0 HD2 PHE A 428 6.871 8.448 -9.612 1.00 22.03 H new ATOM 0 HE1 PHE A 428 7.965 8.402 -14.405 1.00 1.12 H new ATOM 0 HE2 PHE A 428 6.429 6.435 -10.955 1.00 44.11 H new ATOM 0 HZ PHE A 428 6.969 6.414 -13.353 1.00 24.23 H new ATOM 550 N GLY A 429 9.854 11.979 -7.388 1.00 61.30 N ATOM 551 CA GLY A 429 9.791 12.967 -6.295 1.00 24.20 C ATOM 552 C GLY A 429 9.828 12.343 -4.856 1.00 15.50 C ATOM 553 O GLY A 429 9.837 11.112 -4.750 1.00 11.10 O ATOM 0 H GLY A 429 10.542 11.237 -7.256 1.00 61.30 H new ATOM 0 HA2 GLY A 429 10.626 13.660 -6.399 1.00 24.20 H new ATOM 0 HA3 GLY A 429 8.877 13.551 -6.401 1.00 24.20 H new ATOM 557 N ASN A 430 9.855 13.172 -3.737 1.00 73.15 N ATOM 558 CA ASN A 430 10.043 12.615 -2.364 1.00 1.53 C ATOM 559 C ASN A 430 8.677 12.179 -1.707 1.00 1.40 C ATOM 560 O ASN A 430 7.653 12.860 -1.854 1.00 64.54 O ATOM 561 CB ASN A 430 10.867 13.598 -1.442 1.00 72.52 C ATOM 562 CG ASN A 430 10.138 14.815 -0.880 1.00 42.54 C ATOM 563 OD1 ASN A 430 9.250 15.397 -1.509 1.00 33.02 O ATOM 564 ND2 ASN A 430 10.562 15.223 0.327 1.00 61.14 N ATOM 0 H ASN A 430 9.752 14.186 -3.773 1.00 73.15 H new ATOM 0 HA ASN A 430 10.637 11.707 -2.466 1.00 1.53 H new ATOM 0 HB2 ASN A 430 11.258 13.023 -0.603 1.00 72.52 H new ATOM 0 HB3 ASN A 430 11.725 13.954 -2.012 1.00 72.52 H new ATOM 0 HD21 ASN A 430 10.147 16.047 0.762 1.00 61.14 H new ATOM 0 HD22 ASN A 430 11.300 14.709 0.809 1.00 61.14 H new ATOM 571 N VAL A 431 8.674 10.997 -1.035 1.00 71.11 N ATOM 572 CA VAL A 431 7.433 10.333 -0.538 1.00 14.35 C ATOM 573 C VAL A 431 7.315 10.327 1.038 1.00 73.34 C ATOM 574 O VAL A 431 8.326 10.094 1.708 1.00 41.10 O ATOM 575 CB VAL A 431 7.315 8.876 -1.194 1.00 22.44 C ATOM 576 CG1 VAL A 431 8.639 8.357 -1.710 1.00 55.43 C ATOM 577 CG2 VAL A 431 6.767 7.767 -0.293 1.00 44.13 C ATOM 0 H VAL A 431 9.526 10.478 -0.822 1.00 71.11 H new ATOM 0 HA VAL A 431 6.574 10.922 -0.859 1.00 14.35 H new ATOM 0 HB VAL A 431 6.598 9.068 -1.992 1.00 22.44 H new ATOM 0 HG11 VAL A 431 8.498 7.367 -2.143 1.00 55.43 H new ATOM 0 HG12 VAL A 431 9.024 9.035 -2.472 1.00 55.43 H new ATOM 0 HG13 VAL A 431 9.351 8.295 -0.887 1.00 55.43 H new ATOM 0 HG21 VAL A 431 6.735 6.830 -0.848 1.00 44.13 H new ATOM 0 HG22 VAL A 431 7.414 7.652 0.576 1.00 44.13 H new ATOM 0 HG23 VAL A 431 5.761 8.029 0.036 1.00 44.13 H new ATOM 587 N ILE A 432 6.089 10.567 1.643 1.00 65.24 N ATOM 588 CA ILE A 432 5.967 10.637 3.133 1.00 33.34 C ATOM 589 C ILE A 432 5.259 9.376 3.781 1.00 74.40 C ATOM 590 O ILE A 432 5.524 9.073 4.945 1.00 60.40 O ATOM 591 CB ILE A 432 5.229 11.944 3.675 1.00 14.01 C ATOM 592 CG1 ILE A 432 5.271 13.107 2.680 1.00 32.43 C ATOM 593 CG2 ILE A 432 5.903 12.473 4.937 1.00 3.31 C ATOM 594 CD1 ILE A 432 4.619 14.415 3.159 1.00 62.05 C ATOM 0 H ILE A 432 5.215 10.708 1.136 1.00 65.24 H new ATOM 0 HA ILE A 432 7.011 10.667 3.445 1.00 33.34 H new ATOM 0 HB ILE A 432 4.202 11.627 3.854 1.00 14.01 H new ATOM 0 HG12 ILE A 432 6.312 13.311 2.431 1.00 32.43 H new ATOM 0 HG13 ILE A 432 4.779 12.792 1.760 1.00 32.43 H new ATOM 0 HG21 ILE A 432 5.379 13.364 5.283 1.00 3.31 H new ATOM 0 HG22 ILE A 432 5.872 11.709 5.714 1.00 3.31 H new ATOM 0 HG23 ILE A 432 6.940 12.725 4.717 1.00 3.31 H new ATOM 0 HD11 ILE A 432 4.705 15.171 2.379 1.00 62.05 H new ATOM 0 HD12 ILE A 432 3.566 14.238 3.378 1.00 62.05 H new ATOM 0 HD13 ILE A 432 5.124 14.764 4.060 1.00 62.05 H new ATOM 606 N SER A 433 4.366 8.649 3.048 1.00 73.12 N ATOM 607 CA SER A 433 3.638 7.457 3.583 1.00 13.31 C ATOM 608 C SER A 433 3.711 6.236 2.600 1.00 50.53 C ATOM 609 O SER A 433 3.388 6.372 1.420 1.00 74.30 O ATOM 610 CB SER A 433 2.143 7.860 3.830 1.00 72.41 C ATOM 611 OG SER A 433 2.051 9.065 4.579 1.00 64.21 O ATOM 0 H SER A 433 4.132 8.869 2.080 1.00 73.12 H new ATOM 0 HA SER A 433 4.111 7.146 4.514 1.00 13.31 H new ATOM 0 HB2 SER A 433 1.634 7.984 2.874 1.00 72.41 H new ATOM 0 HB3 SER A 433 1.631 7.058 4.362 1.00 72.41 H new ATOM 0 HG SER A 433 1.165 9.463 4.450 1.00 64.21 H new ATOM 617 N ALA A 434 4.159 5.048 3.123 1.00 62.45 N ATOM 618 CA ALA A 434 4.080 3.724 2.394 1.00 34.43 C ATOM 619 C ALA A 434 3.561 2.551 3.341 1.00 51.03 C ATOM 620 O ALA A 434 4.222 2.281 4.354 1.00 4.32 O ATOM 621 CB ALA A 434 5.453 3.327 1.822 1.00 31.35 C ATOM 0 H ALA A 434 4.580 4.976 4.049 1.00 62.45 H new ATOM 0 HA ALA A 434 3.366 3.861 1.582 1.00 34.43 H new ATOM 0 HB1 ALA A 434 5.369 2.372 1.303 1.00 31.35 H new ATOM 0 HB2 ALA A 434 5.791 4.092 1.122 1.00 31.35 H new ATOM 0 HB3 ALA A 434 6.173 3.236 2.635 1.00 31.35 H new ATOM 627 N LYS A 435 2.375 1.879 3.065 1.00 64.52 N ATOM 628 CA LYS A 435 1.931 0.653 3.819 1.00 64.22 C ATOM 629 C LYS A 435 0.916 -0.219 2.949 1.00 4.11 C ATOM 630 O LYS A 435 0.111 0.365 2.218 1.00 11.40 O ATOM 631 CB LYS A 435 1.387 1.014 5.268 1.00 11.24 C ATOM 632 CG LYS A 435 0.038 1.736 5.432 1.00 73.42 C ATOM 633 CD LYS A 435 -1.129 0.753 5.496 1.00 42.34 C ATOM 634 CE LYS A 435 -2.485 1.445 5.649 1.00 14.04 C ATOM 635 NZ LYS A 435 -2.564 2.268 6.883 1.00 24.51 N ATOM 0 H LYS A 435 1.725 2.169 2.334 1.00 64.52 H new ATOM 0 HA LYS A 435 2.803 0.022 3.990 1.00 64.22 H new ATOM 0 HB2 LYS A 435 1.325 0.083 5.831 1.00 11.24 H new ATOM 0 HB3 LYS A 435 2.144 1.630 5.753 1.00 11.24 H new ATOM 0 HG2 LYS A 435 0.056 2.338 6.341 1.00 73.42 H new ATOM 0 HG3 LYS A 435 -0.110 2.422 4.598 1.00 73.42 H new ATOM 0 HD2 LYS A 435 -1.137 0.147 4.590 1.00 42.34 H new ATOM 0 HD3 LYS A 435 -0.978 0.072 6.334 1.00 42.34 H new ATOM 0 HE2 LYS A 435 -2.667 2.078 4.781 1.00 14.04 H new ATOM 0 HE3 LYS A 435 -3.274 0.693 5.666 1.00 14.04 H new ATOM 0 HZ1 LYS A 435 -3.539 2.606 7.013 1.00 24.51 H new ATOM 0 HZ2 LYS A 435 -2.285 1.692 7.703 1.00 24.51 H new ATOM 0 HZ3 LYS A 435 -1.924 3.083 6.798 1.00 24.51 H new ATOM 649 N VAL A 436 0.969 -1.602 2.988 1.00 31.22 N ATOM 650 CA VAL A 436 -0.094 -2.477 2.350 1.00 1.02 C ATOM 651 C VAL A 436 -0.980 -3.109 3.482 1.00 14.04 C ATOM 652 O VAL A 436 -0.636 -4.128 4.078 1.00 51.41 O ATOM 653 CB VAL A 436 0.554 -3.596 1.344 1.00 60.01 C ATOM 654 CG1 VAL A 436 -0.310 -4.841 1.033 1.00 43.34 C ATOM 655 CG2 VAL A 436 0.966 -3.072 -0.047 1.00 54.13 C ATOM 0 H VAL A 436 1.718 -2.124 3.443 1.00 31.22 H new ATOM 0 HA VAL A 436 -0.734 -1.864 1.715 1.00 1.02 H new ATOM 0 HB VAL A 436 1.414 -3.869 1.956 1.00 60.01 H new ATOM 0 HG11 VAL A 436 0.233 -5.501 0.357 1.00 43.34 H new ATOM 0 HG12 VAL A 436 -0.531 -5.371 1.959 1.00 43.34 H new ATOM 0 HG13 VAL A 436 -1.243 -4.529 0.563 1.00 43.34 H new ATOM 0 HG21 VAL A 436 1.383 -3.890 -0.635 1.00 54.13 H new ATOM 0 HG22 VAL A 436 0.092 -2.667 -0.557 1.00 54.13 H new ATOM 0 HG23 VAL A 436 1.715 -2.288 0.067 1.00 54.13 H new ATOM 665 N PHE A 437 -2.028 -2.337 3.888 1.00 74.31 N ATOM 666 CA PHE A 437 -3.284 -2.803 4.543 1.00 74.22 C ATOM 667 C PHE A 437 -4.568 -2.380 3.767 1.00 51.22 C ATOM 668 O PHE A 437 -4.556 -1.393 3.031 1.00 1.23 O ATOM 669 CB PHE A 437 -3.447 -2.344 6.009 1.00 25.53 C ATOM 670 CG PHE A 437 -2.773 -3.211 7.052 1.00 23.14 C ATOM 671 CD1 PHE A 437 -3.361 -4.397 7.506 1.00 53.34 C ATOM 672 CD2 PHE A 437 -1.565 -2.822 7.605 1.00 22.15 C ATOM 673 CE1 PHE A 437 -2.740 -5.163 8.486 1.00 63.41 C ATOM 674 CE2 PHE A 437 -0.945 -3.584 8.575 1.00 14.52 C ATOM 675 CZ PHE A 437 -1.533 -4.754 9.014 1.00 32.33 C ATOM 0 H PHE A 437 -2.019 -1.325 3.761 1.00 74.31 H new ATOM 0 HA PHE A 437 -3.177 -3.888 4.528 1.00 74.22 H new ATOM 0 HB2 PHE A 437 -3.055 -1.331 6.098 1.00 25.53 H new ATOM 0 HB3 PHE A 437 -4.512 -2.295 6.238 1.00 25.53 H new ATOM 0 HD1 PHE A 437 -4.305 -4.720 7.092 1.00 53.34 H new ATOM 0 HD2 PHE A 437 -1.099 -1.906 7.272 1.00 22.15 H new ATOM 0 HE1 PHE A 437 -3.201 -6.076 8.833 1.00 63.41 H new ATOM 0 HE2 PHE A 437 -0.000 -3.265 8.990 1.00 14.52 H new ATOM 0 HZ PHE A 437 -1.047 -5.350 9.772 1.00 32.33 H new ATOM 866 N GLY A 449 -3.545 -0.180 -2.197 1.00 34.04 N ATOM 867 CA GLY A 449 -2.542 0.457 -1.287 1.00 73.15 C ATOM 868 C GLY A 449 -2.427 1.983 -1.311 1.00 30.50 C ATOM 869 O GLY A 449 -3.086 2.648 -2.110 1.00 63.32 O ATOM 0 HA2 GLY A 449 -2.776 0.154 -0.266 1.00 73.15 H new ATOM 0 HA3 GLY A 449 -1.562 0.043 -1.526 1.00 73.15 H new ATOM 873 N PHE A 450 -1.593 2.533 -0.383 1.00 62.13 N ATOM 874 CA PHE A 450 -1.570 3.998 -0.102 1.00 51.32 C ATOM 875 C PHE A 450 -0.174 4.682 -0.514 1.00 72.13 C ATOM 876 O PHE A 450 0.842 4.286 0.070 1.00 2.52 O ATOM 877 CB PHE A 450 -1.815 4.128 1.456 1.00 52.32 C ATOM 878 CG PHE A 450 -3.156 3.696 2.009 1.00 1.24 C ATOM 879 CD1 PHE A 450 -3.409 2.375 2.290 1.00 22.14 C ATOM 880 CD2 PHE A 450 -4.125 4.625 2.336 1.00 43.43 C ATOM 881 CE1 PHE A 450 -4.581 1.981 2.882 1.00 21.03 C ATOM 882 CE2 PHE A 450 -5.320 4.243 2.915 1.00 53.43 C ATOM 883 CZ PHE A 450 -5.543 2.912 3.192 1.00 24.34 C ATOM 0 H PHE A 450 -0.935 1.991 0.177 1.00 62.13 H new ATOM 0 HA PHE A 450 -2.329 4.514 -0.690 1.00 51.32 H new ATOM 0 HB2 PHE A 450 -1.044 3.549 1.964 1.00 52.32 H new ATOM 0 HB3 PHE A 450 -1.662 5.172 1.731 1.00 52.32 H new ATOM 0 HD1 PHE A 450 -2.668 1.631 2.039 1.00 22.14 H new ATOM 0 HD2 PHE A 450 -3.945 5.671 2.135 1.00 43.43 H new ATOM 0 HE1 PHE A 450 -4.748 0.938 3.105 1.00 21.03 H new ATOM 0 HE2 PHE A 450 -6.073 4.981 3.148 1.00 53.43 H new ATOM 0 HZ PHE A 450 -6.470 2.602 3.651 1.00 24.34 H new ATOM 893 N VAL A 451 -0.068 5.690 -1.513 1.00 11.54 N ATOM 894 CA VAL A 451 1.232 6.500 -1.666 1.00 3.23 C ATOM 895 C VAL A 451 0.936 8.053 -1.638 1.00 33.45 C ATOM 896 O VAL A 451 0.271 8.543 -2.545 1.00 11.34 O ATOM 897 CB VAL A 451 2.027 6.267 -3.037 1.00 12.11 C ATOM 898 CG1 VAL A 451 3.536 6.212 -2.883 1.00 51.34 C ATOM 899 CG2 VAL A 451 1.542 5.132 -3.886 1.00 33.40 C ATOM 0 H VAL A 451 -0.810 5.937 -2.168 1.00 11.54 H new ATOM 0 HA VAL A 451 1.838 6.149 -0.830 1.00 3.23 H new ATOM 0 HB VAL A 451 1.783 7.177 -3.585 1.00 12.11 H new ATOM 0 HG11 VAL A 451 3.996 6.052 -3.858 1.00 51.34 H new ATOM 0 HG12 VAL A 451 3.893 7.152 -2.464 1.00 51.34 H new ATOM 0 HG13 VAL A 451 3.804 5.392 -2.216 1.00 51.34 H new ATOM 0 HG21 VAL A 451 2.151 5.066 -4.788 1.00 33.40 H new ATOM 0 HG22 VAL A 451 1.620 4.200 -3.326 1.00 33.40 H new ATOM 0 HG23 VAL A 451 0.502 5.303 -4.163 1.00 33.40 H new ATOM 909 N SER A 452 1.418 8.843 -0.627 1.00 55.20 N ATOM 910 CA SER A 452 1.349 10.326 -0.682 1.00 42.42 C ATOM 911 C SER A 452 2.709 11.003 -1.229 1.00 23.33 C ATOM 912 O SER A 452 3.799 10.492 -0.935 1.00 25.13 O ATOM 913 CB SER A 452 1.085 10.748 0.777 1.00 10.25 C ATOM 914 OG SER A 452 2.271 10.763 1.569 1.00 45.41 O ATOM 0 H SER A 452 1.851 8.476 0.221 1.00 55.20 H new ATOM 0 HA SER A 452 0.576 10.655 -1.377 1.00 42.42 H new ATOM 0 HB2 SER A 452 0.633 11.740 0.788 1.00 10.25 H new ATOM 0 HB3 SER A 452 0.363 10.064 1.224 1.00 10.25 H new ATOM 0 HG SER A 452 2.050 11.038 2.483 1.00 45.41 H new ATOM 920 N TYR A 453 2.647 12.139 -2.038 1.00 50.52 N ATOM 921 CA TYR A 453 3.852 13.013 -2.362 1.00 21.30 C ATOM 922 C TYR A 453 3.733 14.440 -1.691 1.00 4.41 C ATOM 923 O TYR A 453 2.701 14.713 -1.080 1.00 2.11 O ATOM 924 CB TYR A 453 3.906 13.264 -3.893 1.00 62.32 C ATOM 925 CG TYR A 453 4.437 12.162 -4.805 1.00 25.44 C ATOM 926 CD1 TYR A 453 5.783 11.772 -4.826 1.00 23.53 C ATOM 927 CD2 TYR A 453 3.573 11.546 -5.694 1.00 10.24 C ATOM 928 CE1 TYR A 453 6.221 10.793 -5.704 1.00 2.35 C ATOM 929 CE2 TYR A 453 4.003 10.574 -6.557 1.00 1.32 C ATOM 930 CZ TYR A 453 5.322 10.197 -6.563 1.00 14.20 C ATOM 931 OH TYR A 453 5.750 9.242 -7.453 1.00 3.52 O ATOM 0 H TYR A 453 1.782 12.464 -2.471 1.00 50.52 H new ATOM 0 HA TYR A 453 4.735 12.492 -1.991 1.00 21.30 H new ATOM 0 HB2 TYR A 453 2.896 13.506 -4.223 1.00 62.32 H new ATOM 0 HB3 TYR A 453 4.516 14.152 -4.060 1.00 62.32 H new ATOM 0 HD1 TYR A 453 6.486 12.239 -4.152 1.00 23.53 H new ATOM 0 HD2 TYR A 453 2.534 11.839 -5.707 1.00 10.24 H new ATOM 0 HE1 TYR A 453 7.260 10.499 -5.715 1.00 2.35 H new ATOM 0 HE2 TYR A 453 3.304 10.104 -7.233 1.00 1.32 H new ATOM 0 HH TYR A 453 6.522 8.768 -7.078 1.00 3.52 H new ATOM 941 N ASP A 454 4.780 15.366 -1.796 1.00 1.43 N ATOM 942 CA ASP A 454 4.690 16.709 -1.146 1.00 15.13 C ATOM 943 C ASP A 454 4.001 17.863 -1.982 1.00 30.42 C ATOM 944 O ASP A 454 3.447 18.765 -1.356 1.00 22.14 O ATOM 945 CB ASP A 454 6.083 17.222 -0.614 1.00 13.20 C ATOM 946 CG ASP A 454 5.969 18.134 0.603 1.00 14.21 C ATOM 947 OD1 ASP A 454 5.940 17.610 1.735 1.00 22.54 O ATOM 948 OD2 ASP A 454 5.957 19.376 0.432 1.00 54.35 O ATOM 0 H ASP A 454 5.647 15.196 -2.305 1.00 1.43 H new ATOM 0 HA ASP A 454 4.015 16.502 -0.315 1.00 15.13 H new ATOM 0 HB2 ASP A 454 6.704 16.364 -0.358 1.00 13.20 H new ATOM 0 HB3 ASP A 454 6.594 17.758 -1.414 1.00 13.20 H new ATOM 953 N ASN A 455 3.944 17.869 -3.355 1.00 42.35 N ATOM 954 CA ASN A 455 3.357 19.065 -4.069 1.00 35.40 C ATOM 955 C ASN A 455 2.598 18.756 -5.409 1.00 23.33 C ATOM 956 O ASN A 455 3.046 17.866 -6.131 1.00 44.33 O ATOM 957 CB ASN A 455 4.381 20.237 -4.219 1.00 33.30 C ATOM 958 CG ASN A 455 5.711 19.958 -4.952 1.00 22.11 C ATOM 959 OD1 ASN A 455 6.211 20.834 -5.653 1.00 12.15 O ATOM 960 ND2 ASN A 455 6.308 18.773 -4.802 1.00 74.14 N ATOM 0 H ASN A 455 4.272 17.115 -3.959 1.00 42.35 H new ATOM 0 HA ASN A 455 2.567 19.401 -3.397 1.00 35.40 H new ATOM 0 HB2 ASN A 455 3.879 21.052 -4.740 1.00 33.30 H new ATOM 0 HB3 ASN A 455 4.622 20.598 -3.219 1.00 33.30 H new ATOM 0 HD21 ASN A 455 7.193 18.584 -5.273 1.00 74.14 H new ATOM 0 HD22 ASN A 455 5.879 18.056 -4.216 1.00 74.14 H new ATOM 967 N PRO A 456 1.379 19.436 -5.739 1.00 73.24 N ATOM 968 CA PRO A 456 0.540 19.142 -6.956 1.00 41.11 C ATOM 969 C PRO A 456 1.222 19.015 -8.385 1.00 23.21 C ATOM 970 O PRO A 456 0.545 18.597 -9.326 1.00 41.23 O ATOM 971 CB PRO A 456 -0.553 20.266 -6.944 1.00 63.31 C ATOM 972 CG PRO A 456 -0.265 21.163 -5.811 1.00 44.44 C ATOM 973 CD PRO A 456 0.555 20.351 -4.870 1.00 54.12 C ATOM 0 HA PRO A 456 0.184 18.117 -6.852 1.00 41.11 H new ATOM 0 HB2 PRO A 456 -0.541 20.820 -7.882 1.00 63.31 H new ATOM 0 HB3 PRO A 456 -1.547 19.831 -6.843 1.00 63.31 H new ATOM 0 HG2 PRO A 456 0.275 22.051 -6.139 1.00 44.44 H new ATOM 0 HG3 PRO A 456 -1.184 21.506 -5.337 1.00 44.44 H new ATOM 0 HD2 PRO A 456 1.192 20.987 -4.255 1.00 54.12 H new ATOM 0 HD3 PRO A 456 -0.078 19.781 -4.190 1.00 54.12 H new ATOM 981 N VAL A 457 2.528 19.348 -8.562 1.00 2.04 N ATOM 982 CA VAL A 457 3.242 19.133 -9.878 1.00 41.01 C ATOM 983 C VAL A 457 3.638 17.610 -10.060 1.00 71.25 C ATOM 984 O VAL A 457 3.540 17.090 -11.179 1.00 64.12 O ATOM 985 CB VAL A 457 4.501 20.116 -10.108 1.00 72.23 C ATOM 986 CG1 VAL A 457 5.231 19.887 -11.450 1.00 44.42 C ATOM 987 CG2 VAL A 457 4.122 21.612 -10.101 1.00 42.44 C ATOM 0 H VAL A 457 3.111 19.760 -7.833 1.00 2.04 H new ATOM 0 HA VAL A 457 2.530 19.401 -10.659 1.00 41.01 H new ATOM 0 HB VAL A 457 5.147 19.869 -9.265 1.00 72.23 H new ATOM 0 HG11 VAL A 457 6.065 20.584 -11.534 1.00 44.42 H new ATOM 0 HG12 VAL A 457 5.607 18.865 -11.490 1.00 44.42 H new ATOM 0 HG13 VAL A 457 4.537 20.051 -12.274 1.00 44.42 H new ATOM 0 HG21 VAL A 457 5.016 22.215 -10.261 1.00 42.44 H new ATOM 0 HG22 VAL A 457 3.404 21.809 -10.897 1.00 42.44 H new ATOM 0 HG23 VAL A 457 3.678 21.870 -9.140 1.00 42.44 H new ATOM 997 N SER A 458 4.015 16.863 -8.964 1.00 42.11 N ATOM 998 CA SER A 458 4.446 15.430 -9.088 1.00 61.41 C ATOM 999 C SER A 458 3.270 14.385 -9.322 1.00 33.10 C ATOM 1000 O SER A 458 3.533 13.287 -9.832 1.00 42.31 O ATOM 1001 CB SER A 458 5.388 15.020 -7.912 1.00 0.11 C ATOM 1002 OG SER A 458 5.190 15.831 -6.766 1.00 55.42 O ATOM 0 H SER A 458 4.028 17.223 -8.010 1.00 42.11 H new ATOM 0 HA SER A 458 5.016 15.383 -10.016 1.00 61.41 H new ATOM 0 HB2 SER A 458 5.211 13.976 -7.653 1.00 0.11 H new ATOM 0 HB3 SER A 458 6.426 15.096 -8.235 1.00 0.11 H new ATOM 0 HG SER A 458 5.796 15.542 -6.052 1.00 55.42 H new ATOM 1008 N ALA A 459 1.979 14.725 -8.984 1.00 71.51 N ATOM 1009 CA ALA A 459 0.788 13.835 -9.273 1.00 24.23 C ATOM 1010 C ALA A 459 0.456 13.758 -10.808 1.00 23.33 C ATOM 1011 O ALA A 459 -0.023 12.724 -11.279 1.00 52.04 O ATOM 1012 CB ALA A 459 -0.478 14.195 -8.470 1.00 13.31 C ATOM 0 H ALA A 459 1.735 15.598 -8.516 1.00 71.51 H new ATOM 0 HA ALA A 459 1.102 12.848 -8.935 1.00 24.23 H new ATOM 0 HB1 ALA A 459 -1.284 13.511 -8.735 1.00 13.31 H new ATOM 0 HB2 ALA A 459 -0.268 14.112 -7.404 1.00 13.31 H new ATOM 0 HB3 ALA A 459 -0.778 15.217 -8.703 1.00 13.31 H new ATOM 1018 N GLN A 460 0.728 14.860 -11.570 1.00 23.30 N ATOM 1019 CA GLN A 460 0.496 14.940 -13.057 1.00 51.22 C ATOM 1020 C GLN A 460 1.404 13.960 -13.839 1.00 35.01 C ATOM 1021 O GLN A 460 0.944 13.353 -14.811 1.00 2.23 O ATOM 1022 CB GLN A 460 0.659 16.393 -13.636 1.00 44.51 C ATOM 1023 CG GLN A 460 -0.429 17.406 -13.197 1.00 53.31 C ATOM 1024 CD GLN A 460 -0.032 18.844 -13.403 1.00 2.35 C ATOM 1025 OE1 GLN A 460 0.846 19.183 -14.208 1.00 74.22 O ATOM 1026 NE2 GLN A 460 -0.763 19.707 -12.732 1.00 51.11 N ATOM 0 H GLN A 460 1.113 15.719 -11.177 1.00 23.30 H new ATOM 0 HA GLN A 460 -0.545 14.647 -13.197 1.00 51.22 H new ATOM 0 HB2 GLN A 460 1.633 16.779 -13.336 1.00 44.51 H new ATOM 0 HB3 GLN A 460 0.660 16.335 -14.724 1.00 44.51 H new ATOM 0 HG2 GLN A 460 -1.345 17.207 -13.754 1.00 53.31 H new ATOM 0 HG3 GLN A 460 -0.657 17.248 -12.143 1.00 53.31 H new ATOM 0 HE21 GLN A 460 -1.474 19.375 -12.080 1.00 51.11 H new ATOM 0 HE22 GLN A 460 -0.619 20.708 -12.863 1.00 51.11 H new ATOM 1035 N ALA A 461 2.683 13.806 -13.429 1.00 32.31 N ATOM 1036 CA ALA A 461 3.587 12.842 -14.094 1.00 23.02 C ATOM 1037 C ALA A 461 3.212 11.357 -13.798 1.00 14.53 C ATOM 1038 O ALA A 461 3.313 10.515 -14.700 1.00 75.34 O ATOM 1039 CB ALA A 461 5.087 13.134 -13.817 1.00 22.41 C ATOM 0 H ALA A 461 3.105 14.324 -12.658 1.00 32.31 H new ATOM 0 HA ALA A 461 3.437 12.989 -15.164 1.00 23.02 H new ATOM 0 HB1 ALA A 461 5.702 12.395 -14.330 1.00 22.41 H new ATOM 0 HB2 ALA A 461 5.337 14.130 -14.181 1.00 22.41 H new ATOM 0 HB3 ALA A 461 5.276 13.082 -12.745 1.00 22.41 H new ATOM 1045 N ALA A 462 2.767 11.020 -12.560 1.00 63.52 N ATOM 1046 CA ALA A 462 2.411 9.625 -12.234 1.00 73.13 C ATOM 1047 C ALA A 462 0.992 9.134 -12.682 1.00 51.13 C ATOM 1048 O ALA A 462 0.796 7.921 -12.755 1.00 31.11 O ATOM 1049 CB ALA A 462 2.694 9.281 -10.757 1.00 54.30 C ATOM 0 H ALA A 462 2.650 11.681 -11.792 1.00 63.52 H new ATOM 0 HA ALA A 462 3.087 9.051 -12.867 1.00 73.13 H new ATOM 0 HB1 ALA A 462 2.416 8.245 -10.565 1.00 54.30 H new ATOM 0 HB2 ALA A 462 3.755 9.417 -10.549 1.00 54.30 H new ATOM 0 HB3 ALA A 462 2.111 9.938 -10.112 1.00 54.30 H new ATOM 1055 N ILE A 463 -0.009 10.015 -12.958 1.00 51.33 N ATOM 1056 CA ILE A 463 -1.278 9.548 -13.541 1.00 73.11 C ATOM 1057 C ILE A 463 -1.043 9.099 -15.031 1.00 21.35 C ATOM 1058 O ILE A 463 -1.532 8.043 -15.389 1.00 62.25 O ATOM 1059 CB ILE A 463 -2.472 10.606 -13.332 1.00 4.25 C ATOM 1060 CG1 ILE A 463 -2.863 10.664 -11.782 1.00 65.43 C ATOM 1061 CG2 ILE A 463 -3.739 10.297 -14.192 1.00 34.42 C ATOM 1062 CD1 ILE A 463 -3.703 11.853 -11.277 1.00 62.01 C ATOM 0 H ILE A 463 0.043 11.020 -12.789 1.00 51.33 H new ATOM 0 HA ILE A 463 -1.622 8.665 -13.002 1.00 73.11 H new ATOM 0 HB ILE A 463 -2.102 11.573 -13.673 1.00 4.25 H new ATOM 0 HG12 ILE A 463 -3.406 9.750 -11.543 1.00 65.43 H new ATOM 0 HG13 ILE A 463 -1.938 10.644 -11.206 1.00 65.43 H new ATOM 0 HG21 ILE A 463 -4.502 11.051 -14.000 1.00 34.42 H new ATOM 0 HG22 ILE A 463 -3.473 10.311 -15.249 1.00 34.42 H new ATOM 0 HG23 ILE A 463 -4.127 9.313 -13.928 1.00 34.42 H new ATOM 0 HD11 ILE A 463 -3.882 11.744 -10.207 1.00 62.01 H new ATOM 0 HD12 ILE A 463 -3.165 12.783 -11.462 1.00 62.01 H new ATOM 0 HD13 ILE A 463 -4.657 11.875 -11.804 1.00 62.01 H new ATOM 1074 N GLN A 464 -0.225 9.834 -15.878 1.00 14.52 N ATOM 1075 CA GLN A 464 0.089 9.358 -17.285 1.00 44.44 C ATOM 1076 C GLN A 464 0.934 8.036 -17.368 1.00 0.23 C ATOM 1077 O GLN A 464 0.482 7.084 -18.005 1.00 73.13 O ATOM 1078 CB GLN A 464 0.758 10.491 -18.184 1.00 42.33 C ATOM 1079 CG GLN A 464 -0.143 11.226 -19.222 1.00 54.12 C ATOM 1080 CD GLN A 464 -1.524 11.750 -18.749 1.00 3.41 C ATOM 1081 OE1 GLN A 464 -2.510 11.015 -18.796 1.00 14.31 O ATOM 1082 NE2 GLN A 464 -1.607 13.035 -18.330 1.00 40.14 N ATOM 0 H GLN A 464 0.211 10.720 -15.624 1.00 14.52 H new ATOM 0 HA GLN A 464 -0.894 9.118 -17.691 1.00 44.44 H new ATOM 0 HB2 GLN A 464 1.180 11.242 -17.516 1.00 42.33 H new ATOM 0 HB3 GLN A 464 1.591 10.041 -18.724 1.00 42.33 H new ATOM 0 HG2 GLN A 464 0.420 12.074 -19.611 1.00 54.12 H new ATOM 0 HG3 GLN A 464 -0.312 10.546 -20.057 1.00 54.12 H new ATOM 0 HE21 GLN A 464 -0.770 13.618 -18.303 1.00 40.14 H new ATOM 0 HE22 GLN A 464 -2.506 13.420 -18.041 1.00 40.14 H new ATOM 1091 N ALA A 465 2.139 7.958 -16.753 1.00 13.22 N ATOM 1092 CA ALA A 465 3.014 6.732 -16.884 1.00 54.00 C ATOM 1093 C ALA A 465 2.517 5.481 -16.056 1.00 4.44 C ATOM 1094 O ALA A 465 3.108 4.406 -16.154 1.00 52.13 O ATOM 1095 CB ALA A 465 4.507 7.071 -16.592 1.00 35.00 C ATOM 0 H ALA A 465 2.533 8.699 -16.173 1.00 13.22 H new ATOM 0 HA ALA A 465 2.930 6.423 -17.926 1.00 54.00 H new ATOM 0 HB1 ALA A 465 5.111 6.170 -16.694 1.00 35.00 H new ATOM 0 HB2 ALA A 465 4.855 7.823 -17.300 1.00 35.00 H new ATOM 0 HB3 ALA A 465 4.601 7.458 -15.577 1.00 35.00 H new ATOM 1101 N MET A 466 1.430 5.631 -15.264 1.00 42.11 N ATOM 1102 CA MET A 466 0.834 4.537 -14.439 1.00 74.14 C ATOM 1103 C MET A 466 -0.667 4.250 -14.704 1.00 15.12 C ATOM 1104 O MET A 466 -1.184 3.280 -14.145 1.00 44.43 O ATOM 1105 CB MET A 466 1.102 4.706 -12.927 1.00 42.42 C ATOM 1106 CG MET A 466 2.559 4.438 -12.517 1.00 22.12 C ATOM 1107 SD MET A 466 3.110 2.747 -12.809 1.00 53.24 S ATOM 1108 CE MET A 466 4.784 2.812 -12.160 1.00 0.00 C ATOM 0 H MET A 466 0.934 6.517 -15.174 1.00 42.11 H new ATOM 0 HA MET A 466 1.367 3.651 -14.784 1.00 74.14 H new ATOM 0 HB2 MET A 466 0.833 5.720 -12.632 1.00 42.42 H new ATOM 0 HB3 MET A 466 0.450 4.030 -12.375 1.00 42.42 H new ATOM 0 HG2 MET A 466 3.210 5.120 -13.064 1.00 22.12 H new ATOM 0 HG3 MET A 466 2.675 4.668 -11.458 1.00 22.12 H new ATOM 0 HE1 MET A 466 5.167 1.799 -12.040 1.00 0.00 H new ATOM 0 HE2 MET A 466 5.422 3.361 -12.853 1.00 0.00 H new ATOM 0 HE3 MET A 466 4.780 3.316 -11.193 1.00 0.00 H new ATOM 1118 N ASN A 467 -1.405 5.054 -15.516 1.00 54.25 N ATOM 1119 CA ASN A 467 -2.662 4.532 -16.055 1.00 64.43 C ATOM 1120 C ASN A 467 -2.286 3.537 -17.224 1.00 1.24 C ATOM 1121 O ASN A 467 -1.638 3.962 -18.182 1.00 64.14 O ATOM 1122 CB ASN A 467 -3.745 5.621 -16.457 1.00 62.21 C ATOM 1123 CG ASN A 467 -3.373 6.800 -17.387 1.00 44.33 C ATOM 1124 OD1 ASN A 467 -3.933 7.877 -17.226 1.00 72.20 O ATOM 1125 ND2 ASN A 467 -2.516 6.637 -18.373 1.00 13.25 N ATOM 0 H ASN A 467 -1.162 6.006 -15.791 1.00 54.25 H new ATOM 0 HA ASN A 467 -3.190 4.006 -15.259 1.00 64.43 H new ATOM 0 HB2 ASN A 467 -4.573 5.091 -16.927 1.00 62.21 H new ATOM 0 HB3 ASN A 467 -4.126 6.051 -15.531 1.00 62.21 H new ATOM 0 HD21 ASN A 467 -2.316 7.410 -19.008 1.00 13.25 H new ATOM 0 HD22 ASN A 467 -2.052 5.738 -18.502 1.00 13.25 H new ATOM 1132 N GLY A 468 -2.618 2.208 -17.146 1.00 0.00 N ATOM 1133 CA GLY A 468 -2.131 1.259 -18.190 1.00 13.52 C ATOM 1134 C GLY A 468 -0.933 0.298 -17.896 1.00 64.13 C ATOM 1135 O GLY A 468 -0.459 -0.300 -18.868 1.00 1.15 O ATOM 0 H GLY A 468 -3.190 1.791 -16.411 1.00 0.00 H new ATOM 0 HA2 GLY A 468 -2.978 0.637 -18.479 1.00 13.52 H new ATOM 0 HA3 GLY A 468 -1.859 1.853 -19.063 1.00 13.52 H new ATOM 1139 N PHE A 469 -0.427 0.073 -16.651 1.00 21.42 N ATOM 1140 CA PHE A 469 0.870 -0.672 -16.530 1.00 61.13 C ATOM 1141 C PHE A 469 0.673 -2.244 -16.558 1.00 22.32 C ATOM 1142 O PHE A 469 0.011 -2.792 -15.675 1.00 10.31 O ATOM 1143 CB PHE A 469 1.692 -0.233 -15.270 1.00 51.34 C ATOM 1144 CG PHE A 469 3.230 -0.151 -15.510 1.00 1.33 C ATOM 1145 CD1 PHE A 469 4.023 -1.295 -15.429 1.00 20.52 C ATOM 1146 CD2 PHE A 469 3.897 1.062 -15.780 1.00 62.21 C ATOM 1147 CE1 PHE A 469 5.412 -1.239 -15.609 1.00 53.14 C ATOM 1148 CE2 PHE A 469 5.283 1.105 -15.947 1.00 22.50 C ATOM 1149 CZ PHE A 469 6.026 -0.041 -15.858 1.00 40.01 C ATOM 0 H PHE A 469 -0.855 0.369 -15.774 1.00 21.42 H new ATOM 0 HA PHE A 469 1.450 -0.403 -17.412 1.00 61.13 H new ATOM 0 HB2 PHE A 469 1.335 0.742 -14.938 1.00 51.34 H new ATOM 0 HB3 PHE A 469 1.499 -0.936 -14.460 1.00 51.34 H new ATOM 0 HD1 PHE A 469 3.556 -2.247 -15.223 1.00 20.52 H new ATOM 0 HD2 PHE A 469 3.325 1.975 -15.859 1.00 62.21 H new ATOM 0 HE1 PHE A 469 5.999 -2.143 -15.551 1.00 53.14 H new ATOM 0 HE2 PHE A 469 5.771 2.047 -16.147 1.00 22.50 H new ATOM 0 HZ PHE A 469 7.098 -0.000 -15.984 1.00 40.01 H new ATOM 1159 N GLN A 470 1.270 -2.975 -17.566 1.00 31.02 N ATOM 1160 CA GLN A 470 1.020 -4.440 -17.781 1.00 34.13 C ATOM 1161 C GLN A 470 2.254 -5.340 -17.330 1.00 64.13 C ATOM 1162 O GLN A 470 3.367 -5.114 -17.796 1.00 65.22 O ATOM 1163 CB GLN A 470 0.701 -4.556 -19.301 1.00 4.40 C ATOM 1164 CG GLN A 470 0.403 -5.936 -19.926 1.00 70.42 C ATOM 1165 CD GLN A 470 0.062 -5.860 -21.421 1.00 70.51 C ATOM 1166 OE1 GLN A 470 0.240 -6.836 -22.139 1.00 21.41 O ATOM 1167 NE2 GLN A 470 -0.346 -4.688 -21.901 1.00 60.15 N ATOM 0 H GLN A 470 1.924 -2.569 -18.236 1.00 31.02 H new ATOM 0 HA GLN A 470 0.200 -4.814 -17.169 1.00 34.13 H new ATOM 0 HB2 GLN A 470 -0.159 -3.917 -19.501 1.00 4.40 H new ATOM 0 HB3 GLN A 470 1.546 -4.131 -19.843 1.00 4.40 H new ATOM 0 HG2 GLN A 470 1.269 -6.584 -19.790 1.00 70.42 H new ATOM 0 HG3 GLN A 470 -0.428 -6.398 -19.393 1.00 70.42 H new ATOM 0 HE21 GLN A 470 -0.483 -3.898 -21.270 1.00 60.15 H new ATOM 0 HE22 GLN A 470 -0.522 -4.579 -22.900 1.00 60.15 H new ATOM 1176 N ILE A 471 2.050 -6.346 -16.392 1.00 23.04 N ATOM 1177 CA ILE A 471 3.158 -7.218 -15.791 1.00 22.51 C ATOM 1178 C ILE A 471 2.557 -8.657 -15.530 1.00 74.11 C ATOM 1179 O ILE A 471 1.940 -8.838 -14.472 1.00 33.54 O ATOM 1180 CB ILE A 471 3.710 -6.681 -14.371 1.00 23.24 C ATOM 1181 CG1 ILE A 471 3.566 -5.143 -14.292 1.00 42.53 C ATOM 1182 CG2 ILE A 471 5.190 -7.072 -14.115 1.00 52.00 C ATOM 1183 CD1 ILE A 471 4.066 -4.422 -13.023 1.00 53.11 C ATOM 0 H ILE A 471 1.124 -6.576 -16.032 1.00 23.04 H new ATOM 0 HA ILE A 471 3.986 -7.208 -16.500 1.00 22.51 H new ATOM 0 HB ILE A 471 3.106 -7.158 -13.599 1.00 23.24 H new ATOM 0 HG12 ILE A 471 4.093 -4.716 -15.145 1.00 42.53 H new ATOM 0 HG13 ILE A 471 2.510 -4.902 -14.416 1.00 42.53 H new ATOM 0 HG21 ILE A 471 5.506 -6.685 -13.147 1.00 52.00 H new ATOM 0 HG22 ILE A 471 5.286 -8.158 -14.120 1.00 52.00 H new ATOM 0 HG23 ILE A 471 5.819 -6.649 -14.898 1.00 52.00 H new ATOM 0 HD11 ILE A 471 3.895 -3.350 -13.122 1.00 53.11 H new ATOM 0 HD12 ILE A 471 3.525 -4.797 -12.154 1.00 53.11 H new ATOM 0 HD13 ILE A 471 5.132 -4.609 -12.895 1.00 53.11 H new ATOM 1195 N GLY A 472 2.676 -9.675 -16.464 1.00 14.13 N ATOM 1196 CA GLY A 472 2.018 -10.991 -16.259 1.00 14.34 C ATOM 1197 C GLY A 472 0.440 -10.911 -16.311 1.00 54.15 C ATOM 1198 O GLY A 472 -0.097 -10.245 -17.201 1.00 43.34 O ATOM 0 H GLY A 472 3.207 -9.597 -17.331 1.00 14.13 H new ATOM 0 HA2 GLY A 472 2.366 -11.687 -17.022 1.00 14.34 H new ATOM 0 HA3 GLY A 472 2.324 -11.397 -15.295 1.00 14.34 H new ATOM 1202 N MET A 473 -0.294 -11.569 -15.365 1.00 4.42 N ATOM 1203 CA MET A 473 -1.823 -11.642 -15.380 1.00 30.12 C ATOM 1204 C MET A 473 -2.567 -10.531 -14.546 1.00 64.44 C ATOM 1205 O MET A 473 -3.686 -10.767 -14.078 1.00 44.24 O ATOM 1206 CB MET A 473 -2.338 -13.099 -15.007 1.00 24.30 C ATOM 1207 CG MET A 473 -1.994 -13.689 -13.618 1.00 61.22 C ATOM 1208 SD MET A 473 -3.196 -14.895 -13.061 1.00 64.41 S ATOM 1209 CE MET A 473 -2.495 -15.326 -11.474 1.00 41.24 C ATOM 0 H MET A 473 0.129 -12.061 -14.578 1.00 4.42 H new ATOM 0 HA MET A 473 -2.094 -11.423 -16.413 1.00 30.12 H new ATOM 0 HB2 MET A 473 -3.424 -13.098 -15.103 1.00 24.30 H new ATOM 0 HB3 MET A 473 -1.952 -13.786 -15.760 1.00 24.30 H new ATOM 0 HG2 MET A 473 -1.010 -14.156 -13.660 1.00 61.22 H new ATOM 0 HG3 MET A 473 -1.933 -12.880 -12.890 1.00 61.22 H new ATOM 0 HE1 MET A 473 -3.124 -16.072 -10.989 1.00 41.24 H new ATOM 0 HE2 MET A 473 -1.494 -15.733 -11.617 1.00 41.24 H new ATOM 0 HE3 MET A 473 -2.439 -14.436 -10.847 1.00 41.24 H new ATOM 1219 N LYS A 474 -1.997 -9.296 -14.416 1.00 31.32 N ATOM 1220 CA LYS A 474 -2.672 -8.183 -13.714 1.00 23.21 C ATOM 1221 C LYS A 474 -2.375 -6.844 -14.466 1.00 4.33 C ATOM 1222 O LYS A 474 -1.303 -6.723 -15.076 1.00 54.34 O ATOM 1223 CB LYS A 474 -2.232 -8.017 -12.214 1.00 65.45 C ATOM 1224 CG LYS A 474 -2.893 -8.978 -11.145 1.00 5.33 C ATOM 1225 CD LYS A 474 -3.752 -8.223 -10.092 1.00 40.10 C ATOM 1226 CE LYS A 474 -4.708 -9.110 -9.243 1.00 24.43 C ATOM 1227 NZ LYS A 474 -4.259 -9.210 -7.824 1.00 32.53 N ATOM 0 H LYS A 474 -1.078 -9.057 -14.789 1.00 31.32 H new ATOM 0 HA LYS A 474 -3.735 -8.423 -13.713 1.00 23.21 H new ATOM 0 HB2 LYS A 474 -1.152 -8.152 -12.164 1.00 65.45 H new ATOM 0 HB3 LYS A 474 -2.439 -6.989 -11.915 1.00 65.45 H new ATOM 0 HG2 LYS A 474 -3.519 -9.708 -11.659 1.00 5.33 H new ATOM 0 HG3 LYS A 474 -2.109 -9.535 -10.633 1.00 5.33 H new ATOM 0 HD2 LYS A 474 -3.082 -7.692 -9.416 1.00 40.10 H new ATOM 0 HD3 LYS A 474 -4.347 -7.469 -10.608 1.00 40.10 H new ATOM 0 HE2 LYS A 474 -5.715 -8.694 -9.277 1.00 24.43 H new ATOM 0 HE3 LYS A 474 -4.760 -10.108 -9.679 1.00 24.43 H new ATOM 0 HZ1 LYS A 474 -4.922 -9.809 -7.292 1.00 32.53 H new ATOM 0 HZ2 LYS A 474 -3.308 -9.630 -7.789 1.00 32.53 H new ATOM 0 HZ3 LYS A 474 -4.233 -8.261 -7.400 1.00 32.53 H new ATOM 1241 N ARG A 475 -3.294 -5.852 -14.447 1.00 63.55 N ATOM 1242 CA ARG A 475 -2.940 -4.459 -14.826 1.00 24.21 C ATOM 1243 C ARG A 475 -2.986 -3.477 -13.577 1.00 31.31 C ATOM 1244 O ARG A 475 -3.854 -3.650 -12.728 1.00 74.13 O ATOM 1245 CB ARG A 475 -3.922 -3.911 -15.930 1.00 50.30 C ATOM 1246 CG ARG A 475 -3.511 -2.617 -16.613 1.00 42.22 C ATOM 1247 CD ARG A 475 -3.224 -2.854 -18.114 1.00 43.44 C ATOM 1248 NE ARG A 475 -2.768 -4.234 -18.409 1.00 60.42 N ATOM 1249 CZ ARG A 475 -3.424 -5.108 -19.206 1.00 4.50 C ATOM 1250 NH1 ARG A 475 -4.553 -4.765 -19.810 1.00 21.20 N ATOM 1251 NH2 ARG A 475 -2.981 -6.353 -19.342 1.00 32.54 N ATOM 0 H ARG A 475 -4.269 -5.982 -14.179 1.00 63.55 H new ATOM 0 HA ARG A 475 -1.922 -4.491 -15.215 1.00 24.21 H new ATOM 0 HB2 ARG A 475 -4.040 -4.679 -16.694 1.00 50.30 H new ATOM 0 HB3 ARG A 475 -4.901 -3.762 -15.474 1.00 50.30 H new ATOM 0 HG2 ARG A 475 -4.302 -1.875 -16.502 1.00 42.22 H new ATOM 0 HG3 ARG A 475 -2.623 -2.211 -16.128 1.00 42.22 H new ATOM 0 HD2 ARG A 475 -4.127 -2.646 -18.688 1.00 43.44 H new ATOM 0 HD3 ARG A 475 -2.464 -2.148 -18.448 1.00 43.44 H new ATOM 0 HE ARG A 475 -1.897 -4.547 -17.980 1.00 60.42 H new ATOM 0 HH11 ARG A 475 -4.939 -3.830 -19.677 1.00 21.20 H new ATOM 0 HH12 ARG A 475 -5.036 -5.436 -20.408 1.00 21.20 H new ATOM 0 HH21 ARG A 475 -2.143 -6.653 -18.844 1.00 32.54 H new ATOM 0 HH22 ARG A 475 -3.479 -7.009 -19.944 1.00 32.54 H new ATOM 1265 N LEU A 476 -2.054 -2.456 -13.460 1.00 3.12 N ATOM 1266 CA LEU A 476 -2.192 -1.327 -12.466 1.00 63.22 C ATOM 1267 C LEU A 476 -3.409 -0.360 -12.856 1.00 2.41 C ATOM 1268 O LEU A 476 -3.502 0.018 -14.029 1.00 60.34 O ATOM 1269 CB LEU A 476 -0.875 -0.448 -12.409 1.00 22.14 C ATOM 1270 CG LEU A 476 -0.568 0.308 -11.100 1.00 35.30 C ATOM 1271 CD1 LEU A 476 0.317 -0.490 -10.129 1.00 13.53 C ATOM 1272 CD2 LEU A 476 0.108 1.628 -11.376 1.00 21.42 C ATOM 0 H LEU A 476 -1.214 -2.397 -14.035 1.00 3.12 H new ATOM 0 HA LEU A 476 -2.375 -1.788 -11.495 1.00 63.22 H new ATOM 0 HB2 LEU A 476 -0.028 -1.100 -12.625 1.00 22.14 H new ATOM 0 HB3 LEU A 476 -0.927 0.285 -13.214 1.00 22.14 H new ATOM 0 HG LEU A 476 -1.538 0.466 -10.629 1.00 35.30 H new ATOM 0 HD11 LEU A 476 0.494 0.100 -9.230 1.00 13.53 H new ATOM 0 HD12 LEU A 476 -0.184 -1.420 -9.860 1.00 13.53 H new ATOM 0 HD13 LEU A 476 1.270 -0.717 -10.608 1.00 13.53 H new ATOM 0 HD21 LEU A 476 0.311 2.137 -10.434 1.00 21.42 H new ATOM 0 HD22 LEU A 476 1.046 1.453 -11.904 1.00 21.42 H new ATOM 0 HD23 LEU A 476 -0.544 2.249 -11.990 1.00 21.42 H new ATOM 1284 N LYS A 477 -4.343 0.041 -11.914 1.00 30.31 N ATOM 1285 CA LYS A 477 -5.392 1.110 -12.218 1.00 64.30 C ATOM 1286 C LYS A 477 -5.350 2.241 -11.094 1.00 0.31 C ATOM 1287 O LYS A 477 -5.785 1.994 -9.972 1.00 30.34 O ATOM 1288 CB LYS A 477 -6.831 0.472 -12.431 1.00 73.01 C ATOM 1289 CG LYS A 477 -8.131 1.398 -12.639 1.00 52.51 C ATOM 1290 CD LYS A 477 -7.989 2.629 -13.570 1.00 22.40 C ATOM 1291 CE LYS A 477 -9.168 3.628 -13.370 1.00 70.44 C ATOM 1292 NZ LYS A 477 -9.117 4.268 -12.028 1.00 50.32 N ATOM 0 H LYS A 477 -4.396 -0.341 -10.970 1.00 30.31 H new ATOM 0 HA LYS A 477 -5.154 1.593 -13.166 1.00 64.30 H new ATOM 0 HB2 LYS A 477 -6.764 -0.182 -13.300 1.00 73.01 H new ATOM 0 HB3 LYS A 477 -7.028 -0.164 -11.568 1.00 73.01 H new ATOM 0 HG2 LYS A 477 -8.932 0.771 -13.030 1.00 52.51 H new ATOM 0 HG3 LYS A 477 -8.453 1.752 -11.659 1.00 52.51 H new ATOM 0 HD2 LYS A 477 -7.044 3.133 -13.368 1.00 22.40 H new ATOM 0 HD3 LYS A 477 -7.960 2.301 -14.609 1.00 22.40 H new ATOM 0 HE2 LYS A 477 -9.131 4.396 -14.142 1.00 70.44 H new ATOM 0 HE3 LYS A 477 -10.116 3.103 -13.488 1.00 70.44 H new ATOM 0 HZ1 LYS A 477 -9.692 5.135 -12.035 1.00 50.32 H new ATOM 0 HZ2 LYS A 477 -9.491 3.610 -11.315 1.00 50.32 H new ATOM 0 HZ3 LYS A 477 -8.132 4.507 -11.795 1.00 50.32 H new ATOM 1306 N VAL A 478 -4.828 3.485 -11.394 1.00 41.50 N ATOM 1307 CA VAL A 478 -4.523 4.524 -10.375 1.00 24.23 C ATOM 1308 C VAL A 478 -5.731 5.514 -10.165 1.00 54.22 C ATOM 1309 O VAL A 478 -6.352 5.913 -11.162 1.00 31.41 O ATOM 1310 CB VAL A 478 -3.161 5.274 -10.809 1.00 31.13 C ATOM 1311 CG1 VAL A 478 -3.068 6.798 -10.610 1.00 2.33 C ATOM 1312 CG2 VAL A 478 -1.943 4.652 -10.152 1.00 12.32 C ATOM 0 H VAL A 478 -4.614 3.779 -12.347 1.00 41.50 H new ATOM 0 HA VAL A 478 -4.371 4.057 -9.402 1.00 24.23 H new ATOM 0 HB VAL A 478 -3.186 5.124 -11.888 1.00 31.13 H new ATOM 0 HG11 VAL A 478 -2.094 7.150 -10.949 1.00 2.33 H new ATOM 0 HG12 VAL A 478 -3.852 7.289 -11.187 1.00 2.33 H new ATOM 0 HG13 VAL A 478 -3.192 7.035 -9.553 1.00 2.33 H new ATOM 0 HG21 VAL A 478 -1.047 5.185 -10.469 1.00 12.32 H new ATOM 0 HG22 VAL A 478 -2.040 4.719 -9.068 1.00 12.32 H new ATOM 0 HG23 VAL A 478 -1.866 3.605 -10.446 1.00 12.32 H new ATOM 1322 N GLN A 479 -6.122 5.867 -8.883 1.00 51.20 N ATOM 1323 CA GLN A 479 -7.240 6.799 -8.638 1.00 23.15 C ATOM 1324 C GLN A 479 -6.860 7.916 -7.575 1.00 22.22 C ATOM 1325 O GLN A 479 -6.385 7.562 -6.496 1.00 53.15 O ATOM 1326 CB GLN A 479 -8.528 5.983 -8.184 1.00 54.25 C ATOM 1327 CG GLN A 479 -8.251 4.836 -7.164 1.00 73.32 C ATOM 1328 CD GLN A 479 -9.187 4.836 -5.966 1.00 70.11 C ATOM 1329 OE1 GLN A 479 -8.938 5.522 -4.977 1.00 71.53 O ATOM 1330 NE2 GLN A 479 -10.232 4.014 -6.022 1.00 11.33 N ATOM 0 H GLN A 479 -5.675 5.516 -8.036 1.00 51.20 H new ATOM 0 HA GLN A 479 -7.461 7.320 -9.570 1.00 23.15 H new ATOM 0 HB2 GLN A 479 -9.243 6.677 -7.743 1.00 54.25 H new ATOM 0 HB3 GLN A 479 -9.001 5.557 -9.069 1.00 54.25 H new ATOM 0 HG2 GLN A 479 -8.335 3.878 -7.678 1.00 73.32 H new ATOM 0 HG3 GLN A 479 -7.224 4.919 -6.810 1.00 73.32 H new ATOM 0 HE21 GLN A 479 -10.402 3.462 -6.863 1.00 11.33 H new ATOM 0 HE22 GLN A 479 -10.863 3.936 -5.224 1.00 11.33 H new