USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 594 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 596 SER OG : rot -75:sc= -0.688 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= -0.751 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= -0.0457 K(o=-0.046,f=-2.1!) USER MOD Single : A 610 SER OG : rot 81:sc= 0.115 USER MOD Single : A 622 LYS NZ :NH3+ 169:sc= 1.19 (180deg=0.923) USER MOD Single : A 623 SER OG : rot 180:sc= -0.0616 USER MOD Single : A 626 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 631 SER OG : rot -157:sc= 1.35 USER MOD Single : A 632 LYS NZ :NH3+ -111:sc= 0.426 (180deg=-0.298) USER MOD Single : A 639 ASN : amide:sc= -0.259 X(o=-0.26,f=0.21) USER MOD Single : A 641 GLN : amide:sc= 0.253 K(o=0.25,f=-2.1!) USER MOD Single : A 646 ASN : amide:sc= -2.54 K(o=-2.5,f=-13!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ -129:sc= 1.18 (180deg=0.113) USER MOD Single : A 655 ASN : amide:sc= 0.368 K(o=0.37,f=-2.2) USER MOD Single : A 656 GLN : amide:sc= -0.841 K(o=-0.84,f=0) USER MOD Single : A 659 MET CE :methyl -120:sc= -1.61 (180deg=-2.87!) USER MOD Single : A 661 THR OG1 : rot 74:sc= 0.758 USER MOD Single : A 665 SER OG : rot 80:sc= 1.21 USER MOD Single : A 666 MET CE :methyl 170:sc= -4.15! (180deg=-4.8!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 78:sc= 0.0946 USER MOD Single : A 671 ASN : amide:sc= 0 X(o=0,f=-0.00041) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 677 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -14.036 -5.119 -0.548 1.00 30.35 N ATOM 79 CA GLU A 585 -13.837 -4.345 -1.752 1.00 14.04 C ATOM 80 C GLU A 585 -12.744 -3.314 -1.527 1.00 4.53 C ATOM 81 O GLU A 585 -12.390 -3.017 -0.381 1.00 23.55 O ATOM 82 CB GLU A 585 -15.133 -3.674 -2.241 1.00 34.33 C ATOM 83 CG GLU A 585 -15.758 -2.685 -1.270 1.00 74.51 C ATOM 84 CD GLU A 585 -16.932 -1.964 -1.890 1.00 24.42 C ATOM 85 OE1 GLU A 585 -16.717 -0.931 -2.556 1.00 32.20 O ATOM 86 OE2 GLU A 585 -18.086 -2.418 -1.733 1.00 63.42 O ATOM 0 HA GLU A 585 -13.528 -5.032 -2.540 1.00 14.04 H new ATOM 0 HB2 GLU A 585 -14.924 -3.156 -3.177 1.00 34.33 H new ATOM 0 HB3 GLU A 585 -15.864 -4.451 -2.463 1.00 34.33 H new ATOM 0 HG2 GLU A 585 -16.086 -3.212 -0.374 1.00 74.51 H new ATOM 0 HG3 GLU A 585 -15.008 -1.959 -0.957 1.00 74.51 H new ATOM 93 N PHE A 586 -12.212 -2.786 -2.601 1.00 3.21 N ATOM 94 CA PHE A 586 -11.145 -1.817 -2.525 1.00 32.13 C ATOM 95 C PHE A 586 -11.672 -0.424 -2.612 1.00 31.35 C ATOM 96 O PHE A 586 -12.335 -0.058 -3.588 1.00 51.34 O ATOM 97 CB PHE A 586 -10.121 -2.059 -3.625 1.00 73.40 C ATOM 98 CG PHE A 586 -9.400 -3.325 -3.429 1.00 53.31 C ATOM 99 CD1 PHE A 586 -8.289 -3.356 -2.629 1.00 33.20 C ATOM 100 CD2 PHE A 586 -9.851 -4.497 -4.003 1.00 53.14 C ATOM 101 CE1 PHE A 586 -7.631 -4.531 -2.400 1.00 34.52 C ATOM 102 CE2 PHE A 586 -9.191 -5.679 -3.785 1.00 72.24 C ATOM 103 CZ PHE A 586 -8.075 -5.699 -2.979 1.00 12.41 C ATOM 0 H PHE A 586 -12.505 -3.014 -3.551 1.00 3.21 H new ATOM 0 HA PHE A 586 -10.658 -1.937 -1.557 1.00 32.13 H new ATOM 0 HB2 PHE A 586 -10.623 -2.072 -4.593 1.00 73.40 H new ATOM 0 HB3 PHE A 586 -9.409 -1.234 -3.647 1.00 73.40 H new ATOM 0 HD1 PHE A 586 -7.930 -2.444 -2.175 1.00 33.20 H new ATOM 0 HD2 PHE A 586 -10.731 -4.483 -4.629 1.00 53.14 H new ATOM 0 HE1 PHE A 586 -6.759 -4.544 -1.763 1.00 34.52 H new ATOM 0 HE2 PHE A 586 -9.545 -6.590 -4.244 1.00 72.24 H new ATOM 0 HZ PHE A 586 -7.550 -6.626 -2.802 1.00 12.41 H new ATOM 113 N LEU A 587 -11.385 0.353 -1.621 1.00 64.40 N ATOM 114 CA LEU A 587 -11.811 1.711 -1.600 1.00 44.23 C ATOM 115 C LEU A 587 -10.644 2.602 -1.760 1.00 3.30 C ATOM 116 O LEU A 587 -9.613 2.427 -1.109 1.00 62.12 O ATOM 117 CB LEU A 587 -12.556 2.045 -0.323 1.00 62.51 C ATOM 118 CG LEU A 587 -13.830 1.268 -0.097 1.00 2.54 C ATOM 119 CD1 LEU A 587 -14.465 1.651 1.225 1.00 73.12 C ATOM 120 CD2 LEU A 587 -14.806 1.486 -1.241 1.00 34.45 C ATOM 0 H LEU A 587 -10.848 0.064 -0.803 1.00 64.40 H new ATOM 0 HA LEU A 587 -12.501 1.862 -2.430 1.00 44.23 H new ATOM 0 HB2 LEU A 587 -11.890 1.872 0.522 1.00 62.51 H new ATOM 0 HB3 LEU A 587 -12.795 3.109 -0.329 1.00 62.51 H new ATOM 0 HG LEU A 587 -13.577 0.208 -0.062 1.00 2.54 H new ATOM 0 HD11 LEU A 587 -15.382 1.079 1.367 1.00 73.12 H new ATOM 0 HD12 LEU A 587 -13.772 1.434 2.038 1.00 73.12 H new ATOM 0 HD13 LEU A 587 -14.698 2.716 1.222 1.00 73.12 H new ATOM 0 HD21 LEU A 587 -15.717 0.916 -1.056 1.00 34.45 H new ATOM 0 HD22 LEU A 587 -15.050 2.546 -1.314 1.00 34.45 H new ATOM 0 HD23 LEU A 587 -14.353 1.153 -2.175 1.00 34.45 H new ATOM 132 N THR A 588 -10.778 3.516 -2.626 1.00 24.52 N ATOM 133 CA THR A 588 -9.747 4.449 -2.865 1.00 64.10 C ATOM 134 C THR A 588 -10.104 5.777 -2.236 1.00 32.23 C ATOM 135 O THR A 588 -11.154 6.375 -2.541 1.00 41.05 O ATOM 136 CB THR A 588 -9.509 4.616 -4.367 1.00 70.55 C ATOM 137 OG1 THR A 588 -9.253 3.320 -4.930 1.00 34.53 O ATOM 138 CG2 THR A 588 -8.310 5.515 -4.618 1.00 44.23 C ATOM 0 H THR A 588 -11.612 3.646 -3.199 1.00 24.52 H new ATOM 0 HA THR A 588 -8.826 4.079 -2.415 1.00 64.10 H new ATOM 0 HB THR A 588 -10.387 5.070 -4.826 1.00 70.55 H new ATOM 0 HG1 THR A 588 -9.100 3.407 -5.894 1.00 34.53 H new ATOM 0 HG21 THR A 588 -8.155 5.623 -5.691 1.00 44.23 H new ATOM 0 HG22 THR A 588 -8.491 6.495 -4.177 1.00 44.23 H new ATOM 0 HG23 THR A 588 -7.422 5.072 -4.166 1.00 44.23 H new ATOM 146 N PHE A 589 -9.259 6.219 -1.362 1.00 25.24 N ATOM 147 CA PHE A 589 -9.418 7.466 -0.694 1.00 25.03 C ATOM 148 C PHE A 589 -8.216 8.320 -0.983 1.00 1.43 C ATOM 149 O PHE A 589 -7.090 7.880 -0.803 1.00 2.35 O ATOM 150 CB PHE A 589 -9.554 7.257 0.820 1.00 45.11 C ATOM 151 CG PHE A 589 -10.775 6.484 1.188 1.00 50.13 C ATOM 152 CD1 PHE A 589 -11.999 6.913 0.754 1.00 15.21 C ATOM 153 CD2 PHE A 589 -10.704 5.342 1.967 1.00 34.00 C ATOM 154 CE1 PHE A 589 -13.135 6.242 1.070 1.00 34.53 C ATOM 155 CE2 PHE A 589 -11.853 4.646 2.298 1.00 31.43 C ATOM 156 CZ PHE A 589 -13.075 5.101 1.846 1.00 71.23 C ATOM 0 H PHE A 589 -8.419 5.709 -1.087 1.00 25.24 H new ATOM 0 HA PHE A 589 -10.324 7.955 -1.052 1.00 25.03 H new ATOM 0 HB2 PHE A 589 -8.673 6.734 1.191 1.00 45.11 H new ATOM 0 HB3 PHE A 589 -9.581 8.228 1.315 1.00 45.11 H new ATOM 0 HD1 PHE A 589 -12.063 7.804 0.147 1.00 15.21 H new ATOM 0 HD2 PHE A 589 -9.745 4.992 2.319 1.00 34.00 H new ATOM 0 HE1 PHE A 589 -14.089 6.601 0.714 1.00 34.53 H new ATOM 0 HE2 PHE A 589 -11.794 3.754 2.905 1.00 31.43 H new ATOM 0 HZ PHE A 589 -13.980 4.568 2.098 1.00 71.23 H new ATOM 166 N GLU A 590 -8.431 9.497 -1.458 1.00 31.33 N ATOM 167 CA GLU A 590 -7.350 10.389 -1.730 1.00 2.24 C ATOM 168 C GLU A 590 -7.393 11.538 -0.770 1.00 5.30 C ATOM 169 O GLU A 590 -8.369 12.272 -0.693 1.00 31.45 O ATOM 170 CB GLU A 590 -7.319 10.836 -3.187 1.00 42.24 C ATOM 171 CG GLU A 590 -7.156 9.666 -4.148 1.00 13.33 C ATOM 172 CD GLU A 590 -7.019 10.076 -5.584 1.00 54.21 C ATOM 173 OE1 GLU A 590 -8.051 10.242 -6.264 1.00 51.45 O ATOM 174 OE2 GLU A 590 -5.879 10.220 -6.057 1.00 41.23 O ATOM 0 H GLU A 590 -9.356 9.871 -1.670 1.00 31.33 H new ATOM 0 HA GLU A 590 -6.412 9.855 -1.578 1.00 2.24 H new ATOM 0 HB2 GLU A 590 -8.240 11.369 -3.421 1.00 42.24 H new ATOM 0 HB3 GLU A 590 -6.499 11.539 -3.332 1.00 42.24 H new ATOM 0 HG2 GLU A 590 -6.277 9.090 -3.859 1.00 13.33 H new ATOM 0 HG3 GLU A 590 -8.017 9.004 -4.049 1.00 13.33 H new ATOM 181 N VAL A 591 -6.343 11.668 -0.051 1.00 52.44 N ATOM 182 CA VAL A 591 -6.232 12.603 1.029 1.00 42.05 C ATOM 183 C VAL A 591 -5.311 13.728 0.629 1.00 21.11 C ATOM 184 O VAL A 591 -4.159 13.499 0.324 1.00 53.04 O ATOM 185 CB VAL A 591 -5.663 11.887 2.285 1.00 13.01 C ATOM 186 CG1 VAL A 591 -5.502 12.843 3.457 1.00 72.11 C ATOM 187 CG2 VAL A 591 -6.570 10.741 2.678 1.00 24.13 C ATOM 0 H VAL A 591 -5.500 11.111 -0.194 1.00 52.44 H new ATOM 0 HA VAL A 591 -7.218 13.006 1.260 1.00 42.05 H new ATOM 0 HB VAL A 591 -4.674 11.505 2.030 1.00 13.01 H new ATOM 0 HG11 VAL A 591 -5.102 12.303 4.315 1.00 72.11 H new ATOM 0 HG12 VAL A 591 -4.817 13.645 3.181 1.00 72.11 H new ATOM 0 HG13 VAL A 591 -6.472 13.268 3.716 1.00 72.11 H new ATOM 0 HG21 VAL A 591 -6.166 10.243 3.559 1.00 24.13 H new ATOM 0 HG22 VAL A 591 -7.565 11.125 2.903 1.00 24.13 H new ATOM 0 HG23 VAL A 591 -6.633 10.029 1.856 1.00 24.13 H new ATOM 197 N PRO A 592 -5.802 14.946 0.585 1.00 43.44 N ATOM 198 CA PRO A 592 -4.979 16.080 0.247 1.00 55.33 C ATOM 199 C PRO A 592 -4.067 16.464 1.404 1.00 24.02 C ATOM 200 O PRO A 592 -4.435 16.328 2.585 1.00 64.43 O ATOM 201 CB PRO A 592 -5.988 17.178 -0.043 1.00 32.23 C ATOM 202 CG PRO A 592 -7.159 16.826 0.790 1.00 65.43 C ATOM 203 CD PRO A 592 -7.194 15.329 0.862 1.00 64.32 C ATOM 0 HA PRO A 592 -4.314 15.883 -0.594 1.00 55.33 H new ATOM 0 HB2 PRO A 592 -5.594 18.160 0.219 1.00 32.23 H new ATOM 0 HB3 PRO A 592 -6.248 17.211 -1.101 1.00 32.23 H new ATOM 0 HG2 PRO A 592 -7.072 17.261 1.786 1.00 65.43 H new ATOM 0 HG3 PRO A 592 -8.078 17.215 0.352 1.00 65.43 H new ATOM 0 HD2 PRO A 592 -7.520 14.981 1.842 1.00 64.32 H new ATOM 0 HD3 PRO A 592 -7.881 14.907 0.129 1.00 64.32 H new ATOM 211 N LEU A 593 -2.892 16.926 1.074 1.00 61.31 N ATOM 212 CA LEU A 593 -1.930 17.351 2.067 1.00 42.11 C ATOM 213 C LEU A 593 -2.299 18.716 2.570 1.00 30.22 C ATOM 214 O LEU A 593 -1.808 19.738 2.087 1.00 31.33 O ATOM 215 CB LEU A 593 -0.461 17.307 1.557 1.00 62.42 C ATOM 216 CG LEU A 593 0.227 15.919 1.403 1.00 71.11 C ATOM 217 CD1 LEU A 593 0.411 15.239 2.747 1.00 65.03 C ATOM 218 CD2 LEU A 593 -0.537 15.008 0.458 1.00 64.34 C ATOM 0 H LEU A 593 -2.570 17.020 0.111 1.00 61.31 H new ATOM 0 HA LEU A 593 -1.970 16.638 2.891 1.00 42.11 H new ATOM 0 HB2 LEU A 593 -0.431 17.802 0.586 1.00 62.42 H new ATOM 0 HB3 LEU A 593 0.145 17.904 2.238 1.00 62.42 H new ATOM 0 HG LEU A 593 1.210 16.106 0.971 1.00 71.11 H new ATOM 0 HD11 LEU A 593 0.894 14.273 2.603 1.00 65.03 H new ATOM 0 HD12 LEU A 593 1.033 15.863 3.389 1.00 65.03 H new ATOM 0 HD13 LEU A 593 -0.562 15.092 3.217 1.00 65.03 H new ATOM 0 HD21 LEU A 593 -0.022 14.051 0.380 1.00 64.34 H new ATOM 0 HD22 LEU A 593 -1.544 14.848 0.842 1.00 64.34 H new ATOM 0 HD23 LEU A 593 -0.594 15.471 -0.527 1.00 64.34 H new ATOM 230 N ASN A 594 -3.240 18.725 3.465 1.00 21.22 N ATOM 231 CA ASN A 594 -3.740 19.974 4.053 1.00 15.45 C ATOM 232 C ASN A 594 -3.544 19.966 5.537 1.00 30.04 C ATOM 233 O ASN A 594 -2.764 20.735 6.075 1.00 21.31 O ATOM 234 CB ASN A 594 -5.229 20.198 3.754 1.00 43.11 C ATOM 235 CG ASN A 594 -5.560 20.353 2.286 1.00 0.34 C ATOM 236 OD1 ASN A 594 -4.754 20.836 1.489 1.00 62.10 O ATOM 237 ND2 ASN A 594 -6.747 19.951 1.919 1.00 4.21 N ATOM 0 H ASN A 594 -3.694 17.883 3.820 1.00 21.22 H new ATOM 0 HA ASN A 594 -3.170 20.786 3.600 1.00 15.45 H new ATOM 0 HB2 ASN A 594 -5.797 19.358 4.154 1.00 43.11 H new ATOM 0 HB3 ASN A 594 -5.562 21.090 4.284 1.00 43.11 H new ATOM 0 HD21 ASN A 594 -7.034 20.032 0.944 1.00 4.21 H new ATOM 0 HD22 ASN A 594 -7.387 19.556 2.608 1.00 4.21 H new ATOM 244 N ASP A 595 -4.242 19.067 6.206 1.00 71.14 N ATOM 245 CA ASP A 595 -4.163 18.929 7.670 1.00 24.31 C ATOM 246 C ASP A 595 -2.985 18.054 8.025 1.00 1.22 C ATOM 247 O ASP A 595 -2.834 17.592 9.157 1.00 33.15 O ATOM 248 CB ASP A 595 -5.449 18.299 8.223 1.00 60.34 C ATOM 249 CG ASP A 595 -6.686 19.125 7.962 1.00 30.44 C ATOM 250 OD1 ASP A 595 -6.994 20.025 8.773 1.00 61.22 O ATOM 251 OD2 ASP A 595 -7.385 18.885 6.956 1.00 31.41 O ATOM 0 H ASP A 595 -4.882 18.408 5.762 1.00 71.14 H new ATOM 0 HA ASP A 595 -4.040 19.919 8.110 1.00 24.31 H new ATOM 0 HB2 ASP A 595 -5.581 17.312 7.779 1.00 60.34 H new ATOM 0 HB3 ASP A 595 -5.339 18.153 9.298 1.00 60.34 H new ATOM 256 N SER A 596 -2.134 17.879 7.053 1.00 24.33 N ATOM 257 CA SER A 596 -0.991 17.032 7.109 1.00 63.44 C ATOM 258 C SER A 596 0.174 17.664 7.871 1.00 55.05 C ATOM 259 O SER A 596 1.282 17.121 7.891 1.00 71.13 O ATOM 260 CB SER A 596 -0.594 16.726 5.699 1.00 64.50 C ATOM 261 OG SER A 596 -1.711 16.183 5.004 1.00 60.01 O ATOM 0 H SER A 596 -2.231 18.352 6.155 1.00 24.33 H new ATOM 0 HA SER A 596 -1.245 16.123 7.655 1.00 63.44 H new ATOM 0 HB2 SER A 596 -0.247 17.632 5.202 1.00 64.50 H new ATOM 0 HB3 SER A 596 0.235 16.019 5.688 1.00 64.50 H new ATOM 0 HG SER A 596 -1.857 15.258 5.292 1.00 60.01 H new ATOM 267 N GLY A 597 -0.076 18.777 8.506 1.00 11.11 N ATOM 268 CA GLY A 597 0.951 19.417 9.250 1.00 54.12 C ATOM 269 C GLY A 597 1.016 18.911 10.672 1.00 22.32 C ATOM 270 O GLY A 597 2.054 19.015 11.326 1.00 51.41 O ATOM 0 H GLY A 597 -0.980 19.250 8.518 1.00 11.11 H new ATOM 0 HA2 GLY A 597 1.911 19.250 8.761 1.00 54.12 H new ATOM 0 HA3 GLY A 597 0.779 20.493 9.255 1.00 54.12 H new ATOM 274 N SER A 598 -0.086 18.358 11.149 1.00 1.22 N ATOM 275 CA SER A 598 -0.145 17.841 12.506 1.00 2.13 C ATOM 276 C SER A 598 0.206 16.353 12.508 1.00 62.44 C ATOM 277 O SER A 598 0.796 15.818 13.456 1.00 10.31 O ATOM 278 CB SER A 598 -1.538 18.096 13.103 1.00 42.13 C ATOM 279 OG SER A 598 -1.605 17.737 14.480 1.00 22.52 O ATOM 0 H SER A 598 -0.951 18.255 10.618 1.00 1.22 H new ATOM 0 HA SER A 598 0.584 18.359 13.129 1.00 2.13 H new ATOM 0 HB2 SER A 598 -1.793 19.150 12.991 1.00 42.13 H new ATOM 0 HB3 SER A 598 -2.281 17.527 12.544 1.00 42.13 H new ATOM 0 HG SER A 598 -2.506 17.916 14.821 1.00 22.52 H new ATOM 285 N ALA A 599 -0.129 15.735 11.437 1.00 72.53 N ATOM 286 CA ALA A 599 0.086 14.355 11.161 1.00 5.21 C ATOM 287 C ALA A 599 -0.114 14.249 9.690 1.00 63.53 C ATOM 288 O ALA A 599 -0.824 15.067 9.144 1.00 1.43 O ATOM 289 CB ALA A 599 -0.923 13.486 11.906 1.00 54.51 C ATOM 0 H ALA A 599 -0.597 16.214 10.668 1.00 72.53 H new ATOM 0 HA ALA A 599 1.071 14.013 11.480 1.00 5.21 H new ATOM 0 HB1 ALA A 599 -0.737 12.436 11.678 1.00 54.51 H new ATOM 0 HB2 ALA A 599 -0.821 13.648 12.979 1.00 54.51 H new ATOM 0 HB3 ALA A 599 -1.933 13.752 11.594 1.00 54.51 H new ATOM 295 N GLY A 600 0.468 13.278 9.065 1.00 21.31 N ATOM 296 CA GLY A 600 0.437 13.186 7.618 1.00 31.04 C ATOM 297 C GLY A 600 -0.953 12.966 7.118 1.00 2.43 C ATOM 298 O GLY A 600 -1.470 13.737 6.297 1.00 51.10 O ATOM 0 H GLY A 600 0.978 12.525 9.527 1.00 21.31 H new ATOM 0 HA2 GLY A 600 0.841 14.101 7.185 1.00 31.04 H new ATOM 0 HA3 GLY A 600 1.078 12.368 7.290 1.00 31.04 H new ATOM 302 N LEU A 601 -1.570 11.935 7.604 1.00 2.21 N ATOM 303 CA LEU A 601 -2.923 11.664 7.259 1.00 52.43 C ATOM 304 C LEU A 601 -3.786 11.856 8.488 1.00 52.01 C ATOM 305 O LEU A 601 -4.944 12.298 8.398 1.00 12.30 O ATOM 306 CB LEU A 601 -3.098 10.235 6.677 1.00 22.12 C ATOM 307 CG LEU A 601 -2.233 9.871 5.444 1.00 31.21 C ATOM 308 CD1 LEU A 601 -2.769 8.673 4.695 1.00 10.32 C ATOM 309 CD2 LEU A 601 -2.036 11.015 4.504 1.00 11.12 C ATOM 0 H LEU A 601 -1.150 11.263 8.247 1.00 2.21 H new ATOM 0 HA LEU A 601 -3.232 12.358 6.477 1.00 52.43 H new ATOM 0 HB2 LEU A 601 -2.881 9.517 7.468 1.00 22.12 H new ATOM 0 HB3 LEU A 601 -4.146 10.104 6.407 1.00 22.12 H new ATOM 0 HG LEU A 601 -1.258 9.611 5.855 1.00 31.21 H new ATOM 0 HD11 LEU A 601 -2.126 8.461 3.841 1.00 10.32 H new ATOM 0 HD12 LEU A 601 -2.789 7.808 5.358 1.00 10.32 H new ATOM 0 HD13 LEU A 601 -3.779 8.885 4.345 1.00 10.32 H new ATOM 0 HD21 LEU A 601 -1.422 10.693 3.663 1.00 11.12 H new ATOM 0 HD22 LEU A 601 -3.004 11.355 4.137 1.00 11.12 H new ATOM 0 HD23 LEU A 601 -1.538 11.832 5.025 1.00 11.12 H new ATOM 321 N GLY A 602 -3.197 11.550 9.637 1.00 11.33 N ATOM 322 CA GLY A 602 -3.855 11.651 10.881 1.00 71.23 C ATOM 323 C GLY A 602 -4.490 10.363 11.215 1.00 62.00 C ATOM 324 O GLY A 602 -5.613 10.304 11.691 1.00 51.11 O ATOM 0 H GLY A 602 -2.233 11.222 9.704 1.00 11.33 H new ATOM 0 HA2 GLY A 602 -3.143 11.928 11.658 1.00 71.23 H new ATOM 0 HA3 GLY A 602 -4.607 12.439 10.842 1.00 71.23 H new ATOM 328 N VAL A 603 -3.787 9.312 10.944 1.00 71.40 N ATOM 329 CA VAL A 603 -4.260 8.014 11.250 1.00 22.25 C ATOM 330 C VAL A 603 -3.124 7.279 11.918 1.00 1.44 C ATOM 331 O VAL A 603 -1.963 7.603 11.709 1.00 63.23 O ATOM 332 CB VAL A 603 -4.667 7.228 9.948 1.00 54.22 C ATOM 333 CG1 VAL A 603 -5.345 5.916 10.269 1.00 25.21 C ATOM 334 CG2 VAL A 603 -5.524 8.064 9.013 1.00 72.13 C ATOM 0 H VAL A 603 -2.867 9.336 10.503 1.00 71.40 H new ATOM 0 HA VAL A 603 -5.141 8.087 11.888 1.00 22.25 H new ATOM 0 HB VAL A 603 -3.737 7.004 9.425 1.00 54.22 H new ATOM 0 HG11 VAL A 603 -5.609 5.407 9.342 1.00 25.21 H new ATOM 0 HG12 VAL A 603 -4.667 5.288 10.848 1.00 25.21 H new ATOM 0 HG13 VAL A 603 -6.248 6.106 10.849 1.00 25.21 H new ATOM 0 HG21 VAL A 603 -5.778 7.477 8.130 1.00 72.13 H new ATOM 0 HG22 VAL A 603 -6.438 8.362 9.526 1.00 72.13 H new ATOM 0 HG23 VAL A 603 -4.971 8.953 8.711 1.00 72.13 H new ATOM 344 N SER A 604 -3.436 6.356 12.728 1.00 12.44 N ATOM 345 CA SER A 604 -2.460 5.496 13.258 1.00 32.12 C ATOM 346 C SER A 604 -2.696 4.169 12.640 1.00 20.34 C ATOM 347 O SER A 604 -3.845 3.755 12.497 1.00 42.31 O ATOM 348 CB SER A 604 -2.580 5.388 14.767 1.00 12.04 C ATOM 349 OG SER A 604 -2.525 6.664 15.367 1.00 54.41 O ATOM 0 H SER A 604 -4.386 6.170 13.048 1.00 12.44 H new ATOM 0 HA SER A 604 -1.461 5.875 13.044 1.00 32.12 H new ATOM 0 HB2 SER A 604 -3.519 4.899 15.028 1.00 12.04 H new ATOM 0 HB3 SER A 604 -1.776 4.763 15.156 1.00 12.04 H new ATOM 0 HG SER A 604 -2.606 6.572 16.339 1.00 54.41 H new ATOM 355 N VAL A 605 -1.674 3.530 12.248 1.00 41.51 N ATOM 356 CA VAL A 605 -1.766 2.228 11.703 1.00 22.04 C ATOM 357 C VAL A 605 -0.862 1.287 12.410 1.00 24.13 C ATOM 358 O VAL A 605 0.047 1.697 13.128 1.00 75.35 O ATOM 359 CB VAL A 605 -1.448 2.148 10.216 1.00 72.34 C ATOM 360 CG1 VAL A 605 -2.590 2.651 9.354 1.00 45.24 C ATOM 361 CG2 VAL A 605 -0.166 2.890 9.875 1.00 54.13 C ATOM 0 H VAL A 605 -0.724 3.898 12.294 1.00 41.51 H new ATOM 0 HA VAL A 605 -2.811 1.951 11.839 1.00 22.04 H new ATOM 0 HB VAL A 605 -1.305 1.091 9.993 1.00 72.34 H new ATOM 0 HG11 VAL A 605 -2.314 2.573 8.302 1.00 45.24 H new ATOM 0 HG12 VAL A 605 -3.479 2.049 9.541 1.00 45.24 H new ATOM 0 HG13 VAL A 605 -2.799 3.693 9.598 1.00 45.24 H new ATOM 0 HG21 VAL A 605 0.027 2.810 8.805 1.00 54.13 H new ATOM 0 HG22 VAL A 605 -0.270 3.940 10.147 1.00 54.13 H new ATOM 0 HG23 VAL A 605 0.666 2.453 10.427 1.00 54.13 H new ATOM 371 N LYS A 606 -1.112 0.049 12.217 1.00 41.31 N ATOM 372 CA LYS A 606 -0.307 -0.990 12.786 1.00 10.34 C ATOM 373 C LYS A 606 -0.320 -2.190 11.882 1.00 44.04 C ATOM 374 O LYS A 606 -1.264 -2.393 11.141 1.00 74.43 O ATOM 375 CB LYS A 606 -0.753 -1.401 14.190 1.00 3.24 C ATOM 376 CG LYS A 606 -2.055 -2.168 14.265 1.00 2.51 C ATOM 377 CD LYS A 606 -2.258 -2.695 15.663 1.00 72.13 C ATOM 378 CE LYS A 606 -3.474 -3.581 15.750 1.00 64.05 C ATOM 379 NZ LYS A 606 -3.644 -4.153 17.103 1.00 74.54 N ATOM 0 H LYS A 606 -1.891 -0.289 11.652 1.00 41.31 H new ATOM 0 HA LYS A 606 0.702 -0.590 12.881 1.00 10.34 H new ATOM 0 HB2 LYS A 606 0.033 -2.010 14.637 1.00 3.24 H new ATOM 0 HB3 LYS A 606 -0.846 -0.502 14.800 1.00 3.24 H new ATOM 0 HG2 LYS A 606 -2.886 -1.520 13.987 1.00 2.51 H new ATOM 0 HG3 LYS A 606 -2.043 -2.994 13.554 1.00 2.51 H new ATOM 0 HD2 LYS A 606 -1.376 -3.255 15.973 1.00 72.13 H new ATOM 0 HD3 LYS A 606 -2.365 -1.860 16.355 1.00 72.13 H new ATOM 0 HE2 LYS A 606 -4.361 -3.006 15.485 1.00 64.05 H new ATOM 0 HE3 LYS A 606 -3.388 -4.388 15.023 1.00 64.05 H new ATOM 0 HZ1 LYS A 606 -4.491 -4.756 17.121 1.00 74.54 H new ATOM 0 HZ2 LYS A 606 -2.808 -4.722 17.347 1.00 74.54 H new ATOM 0 HZ3 LYS A 606 -3.752 -3.383 17.794 1.00 74.54 H new ATOM 393 N GLY A 607 0.707 -2.954 11.921 1.00 11.01 N ATOM 394 CA GLY A 607 0.741 -4.133 11.135 1.00 12.04 C ATOM 395 C GLY A 607 0.550 -5.345 11.974 1.00 42.43 C ATOM 396 O GLY A 607 1.133 -5.465 13.057 1.00 62.33 O ATOM 0 H GLY A 607 1.537 -2.786 12.489 1.00 11.01 H new ATOM 0 HA2 GLY A 607 -0.038 -4.088 10.374 1.00 12.04 H new ATOM 0 HA3 GLY A 607 1.695 -4.197 10.612 1.00 12.04 H new ATOM 400 N ASN A 608 -0.275 -6.225 11.513 1.00 11.04 N ATOM 401 CA ASN A 608 -0.519 -7.458 12.198 1.00 52.25 C ATOM 402 C ASN A 608 0.158 -8.562 11.461 1.00 44.50 C ATOM 403 O ASN A 608 0.173 -8.587 10.227 1.00 15.14 O ATOM 404 CB ASN A 608 -2.023 -7.759 12.355 1.00 41.02 C ATOM 405 CG ASN A 608 -2.744 -6.830 13.326 1.00 63.23 C ATOM 406 OD1 ASN A 608 -3.249 -5.774 12.946 1.00 14.21 O ATOM 407 ND2 ASN A 608 -2.822 -7.232 14.576 1.00 44.33 N ATOM 0 H ASN A 608 -0.803 -6.112 10.647 1.00 11.04 H new ATOM 0 HA ASN A 608 -0.113 -7.372 13.206 1.00 52.25 H new ATOM 0 HB2 ASN A 608 -2.501 -7.688 11.378 1.00 41.02 H new ATOM 0 HB3 ASN A 608 -2.144 -8.788 12.695 1.00 41.02 H new ATOM 0 HD21 ASN A 608 -3.313 -6.662 15.265 1.00 44.33 H new ATOM 0 HD22 ASN A 608 -2.392 -8.113 14.856 1.00 44.33 H new ATOM 414 N ARG A 609 0.735 -9.451 12.182 1.00 33.22 N ATOM 415 CA ARG A 609 1.420 -10.548 11.601 1.00 50.23 C ATOM 416 C ARG A 609 0.994 -11.796 12.315 1.00 71.42 C ATOM 417 O ARG A 609 0.784 -11.764 13.529 1.00 63.30 O ATOM 418 CB ARG A 609 2.940 -10.319 11.684 1.00 75.34 C ATOM 419 CG ARG A 609 3.785 -11.400 11.035 1.00 24.25 C ATOM 420 CD ARG A 609 5.252 -11.031 11.048 1.00 51.01 C ATOM 421 NE ARG A 609 6.072 -12.050 10.391 1.00 62.50 N ATOM 422 CZ ARG A 609 7.383 -11.970 10.185 1.00 42.24 C ATOM 423 NH1 ARG A 609 8.058 -10.875 10.535 1.00 40.10 N ATOM 424 NH2 ARG A 609 8.011 -12.985 9.605 1.00 14.33 N ATOM 0 H ARG A 609 0.746 -9.439 13.202 1.00 33.22 H new ATOM 0 HA ARG A 609 1.172 -10.649 10.544 1.00 50.23 H new ATOM 0 HB2 ARG A 609 3.175 -9.364 11.215 1.00 75.34 H new ATOM 0 HB3 ARG A 609 3.224 -10.237 12.733 1.00 75.34 H new ATOM 0 HG2 ARG A 609 3.640 -12.343 11.562 1.00 24.25 H new ATOM 0 HG3 ARG A 609 3.456 -11.555 10.008 1.00 24.25 H new ATOM 0 HD2 ARG A 609 5.391 -10.073 10.547 1.00 51.01 H new ATOM 0 HD3 ARG A 609 5.586 -10.903 12.078 1.00 51.01 H new ATOM 0 HE ARG A 609 5.598 -12.892 10.064 1.00 62.50 H new ATOM 0 HH11 ARG A 609 7.569 -10.090 10.965 1.00 40.10 H new ATOM 0 HH12 ARG A 609 9.064 -10.822 10.373 1.00 40.10 H new ATOM 0 HH21 ARG A 609 7.488 -13.814 9.323 1.00 14.33 H new ATOM 0 HH22 ARG A 609 9.017 -12.936 9.441 1.00 14.33 H new ATOM 438 N SER A 610 0.797 -12.859 11.563 1.00 55.24 N ATOM 439 CA SER A 610 0.405 -14.129 12.113 1.00 25.00 C ATOM 440 C SER A 610 1.416 -14.591 13.158 1.00 2.23 C ATOM 441 O SER A 610 2.565 -14.887 12.840 1.00 70.10 O ATOM 442 CB SER A 610 0.291 -15.157 11.010 1.00 41.21 C ATOM 443 OG SER A 610 -0.621 -14.740 10.017 1.00 54.50 O ATOM 0 H SER A 610 0.906 -12.861 10.549 1.00 55.24 H new ATOM 0 HA SER A 610 -0.566 -14.016 12.595 1.00 25.00 H new ATOM 0 HB2 SER A 610 1.270 -15.323 10.561 1.00 41.21 H new ATOM 0 HB3 SER A 610 -0.034 -16.109 11.429 1.00 41.21 H new ATOM 0 HG SER A 610 -0.180 -14.107 9.413 1.00 54.50 H new ATOM 518 N ALA A 615 3.485 -15.146 8.953 1.00 30.51 N ATOM 519 CA ALA A 615 3.334 -14.319 7.763 1.00 25.14 C ATOM 520 C ALA A 615 2.549 -13.077 8.134 1.00 25.13 C ATOM 521 O ALA A 615 1.769 -13.110 9.070 1.00 50.41 O ATOM 522 CB ALA A 615 2.633 -15.091 6.663 1.00 42.44 C ATOM 0 HA ALA A 615 4.316 -14.031 7.387 1.00 25.14 H new ATOM 0 HB1 ALA A 615 2.529 -14.457 5.783 1.00 42.44 H new ATOM 0 HB2 ALA A 615 3.219 -15.974 6.407 1.00 42.44 H new ATOM 0 HB3 ALA A 615 1.645 -15.399 7.007 1.00 42.44 H new ATOM 528 N ASP A 616 2.760 -11.985 7.443 1.00 64.11 N ATOM 529 CA ASP A 616 2.068 -10.753 7.782 1.00 41.21 C ATOM 530 C ASP A 616 0.652 -10.764 7.259 1.00 74.14 C ATOM 531 O ASP A 616 0.369 -11.329 6.202 1.00 21.05 O ATOM 532 CB ASP A 616 2.814 -9.509 7.277 1.00 51.41 C ATOM 533 CG ASP A 616 2.932 -9.445 5.773 1.00 22.25 C ATOM 534 OD1 ASP A 616 3.899 -10.011 5.229 1.00 73.31 O ATOM 535 OD2 ASP A 616 2.059 -8.842 5.114 1.00 63.01 O ATOM 0 H ASP A 616 3.397 -11.917 6.649 1.00 64.11 H new ATOM 0 HA ASP A 616 2.039 -10.699 8.870 1.00 41.21 H new ATOM 0 HB2 ASP A 616 2.297 -8.617 7.631 1.00 51.41 H new ATOM 0 HB3 ASP A 616 3.813 -9.493 7.713 1.00 51.41 H new ATOM 540 N LEU A 617 -0.235 -10.164 8.012 1.00 20.43 N ATOM 541 CA LEU A 617 -1.626 -10.044 7.624 1.00 5.14 C ATOM 542 C LEU A 617 -1.822 -8.699 6.965 1.00 72.42 C ATOM 543 O LEU A 617 -2.890 -8.399 6.411 1.00 43.01 O ATOM 544 CB LEU A 617 -2.539 -10.176 8.851 1.00 13.41 C ATOM 545 CG LEU A 617 -2.479 -11.514 9.602 1.00 34.54 C ATOM 546 CD1 LEU A 617 -3.383 -11.481 10.825 1.00 20.02 C ATOM 547 CD2 LEU A 617 -2.876 -12.664 8.685 1.00 71.44 C ATOM 0 H LEU A 617 -0.017 -9.742 8.915 1.00 20.43 H new ATOM 0 HA LEU A 617 -1.886 -10.841 6.927 1.00 5.14 H new ATOM 0 HB2 LEU A 617 -2.289 -9.379 9.551 1.00 13.41 H new ATOM 0 HB3 LEU A 617 -3.568 -10.008 8.532 1.00 13.41 H new ATOM 0 HG LEU A 617 -1.452 -11.673 9.932 1.00 34.54 H new ATOM 0 HD11 LEU A 617 -3.327 -12.438 11.344 1.00 20.02 H new ATOM 0 HD12 LEU A 617 -3.059 -10.685 11.495 1.00 20.02 H new ATOM 0 HD13 LEU A 617 -4.411 -11.297 10.513 1.00 20.02 H new ATOM 0 HD21 LEU A 617 -2.827 -13.603 9.237 1.00 71.44 H new ATOM 0 HD22 LEU A 617 -3.893 -12.508 8.325 1.00 71.44 H new ATOM 0 HD23 LEU A 617 -2.193 -12.705 7.837 1.00 71.44 H new ATOM 559 N GLY A 618 -0.774 -7.901 7.032 1.00 22.41 N ATOM 560 CA GLY A 618 -0.779 -6.594 6.437 1.00 44.12 C ATOM 561 C GLY A 618 -0.920 -5.486 7.456 1.00 55.21 C ATOM 562 O GLY A 618 -0.978 -5.736 8.673 1.00 14.42 O ATOM 0 H GLY A 618 0.098 -8.146 7.500 1.00 22.41 H new ATOM 0 HA2 GLY A 618 0.145 -6.451 5.878 1.00 44.12 H new ATOM 0 HA3 GLY A 618 -1.598 -6.529 5.721 1.00 44.12 H new ATOM 566 N ILE A 619 -0.979 -4.271 6.960 1.00 21.20 N ATOM 567 CA ILE A 619 -1.096 -3.086 7.780 1.00 11.54 C ATOM 568 C ILE A 619 -2.564 -2.725 7.933 1.00 64.34 C ATOM 569 O ILE A 619 -3.298 -2.675 6.946 1.00 42.54 O ATOM 570 CB ILE A 619 -0.339 -1.900 7.117 1.00 32.32 C ATOM 571 CG1 ILE A 619 1.126 -2.285 6.866 1.00 23.00 C ATOM 572 CG2 ILE A 619 -0.419 -0.642 7.979 1.00 34.34 C ATOM 573 CD1 ILE A 619 1.880 -2.690 8.109 1.00 74.31 C ATOM 0 H ILE A 619 -0.947 -4.075 5.960 1.00 21.20 H new ATOM 0 HA ILE A 619 -0.659 -3.284 8.759 1.00 11.54 H new ATOM 0 HB ILE A 619 -0.818 -1.681 6.163 1.00 32.32 H new ATOM 0 HG12 ILE A 619 1.157 -3.108 6.152 1.00 23.00 H new ATOM 0 HG13 ILE A 619 1.638 -1.441 6.403 1.00 23.00 H new ATOM 0 HG21 ILE A 619 0.119 0.169 7.489 1.00 34.34 H new ATOM 0 HG22 ILE A 619 -1.463 -0.357 8.111 1.00 34.34 H new ATOM 0 HG23 ILE A 619 0.029 -0.839 8.953 1.00 34.34 H new ATOM 0 HD11 ILE A 619 2.906 -2.946 7.845 1.00 74.31 H new ATOM 0 HD12 ILE A 619 1.884 -1.862 8.818 1.00 74.31 H new ATOM 0 HD13 ILE A 619 1.395 -3.554 8.563 1.00 74.31 H new ATOM 585 N PHE A 620 -2.983 -2.493 9.141 1.00 13.51 N ATOM 586 CA PHE A 620 -4.347 -2.163 9.437 1.00 13.41 C ATOM 587 C PHE A 620 -4.423 -0.846 10.180 1.00 65.21 C ATOM 588 O PHE A 620 -3.470 -0.443 10.850 1.00 34.24 O ATOM 589 CB PHE A 620 -5.001 -3.244 10.301 1.00 51.24 C ATOM 590 CG PHE A 620 -5.082 -4.607 9.681 1.00 53.20 C ATOM 591 CD1 PHE A 620 -4.053 -5.522 9.857 1.00 52.03 C ATOM 592 CD2 PHE A 620 -6.206 -4.992 8.953 1.00 54.44 C ATOM 593 CE1 PHE A 620 -4.139 -6.786 9.316 1.00 45.14 C ATOM 594 CE2 PHE A 620 -6.292 -6.260 8.420 1.00 50.42 C ATOM 595 CZ PHE A 620 -5.258 -7.157 8.599 1.00 74.21 C ATOM 0 H PHE A 620 -2.378 -2.528 9.962 1.00 13.51 H new ATOM 0 HA PHE A 620 -4.877 -2.089 8.487 1.00 13.41 H new ATOM 0 HB2 PHE A 620 -4.446 -3.322 11.236 1.00 51.24 H new ATOM 0 HB3 PHE A 620 -6.010 -2.920 10.555 1.00 51.24 H new ATOM 0 HD1 PHE A 620 -3.177 -5.240 10.423 1.00 52.03 H new ATOM 0 HD2 PHE A 620 -7.015 -4.292 8.805 1.00 54.44 H new ATOM 0 HE1 PHE A 620 -3.329 -7.488 9.453 1.00 45.14 H new ATOM 0 HE2 PHE A 620 -7.169 -6.552 7.862 1.00 50.42 H new ATOM 0 HZ PHE A 620 -5.325 -8.149 8.178 1.00 74.21 H new ATOM 605 N VAL A 621 -5.531 -0.168 10.028 1.00 70.10 N ATOM 606 CA VAL A 621 -5.787 1.047 10.762 1.00 21.45 C ATOM 607 C VAL A 621 -5.927 0.757 12.248 1.00 22.23 C ATOM 608 O VAL A 621 -6.698 -0.082 12.666 1.00 14.12 O ATOM 609 CB VAL A 621 -7.025 1.808 10.237 1.00 1.23 C ATOM 610 CG1 VAL A 621 -7.268 3.077 11.046 1.00 31.42 C ATOM 611 CG2 VAL A 621 -6.821 2.163 8.788 1.00 0.32 C ATOM 0 H VAL A 621 -6.281 -0.441 9.393 1.00 70.10 H new ATOM 0 HA VAL A 621 -4.926 1.697 10.607 1.00 21.45 H new ATOM 0 HB VAL A 621 -7.897 1.162 10.340 1.00 1.23 H new ATOM 0 HG11 VAL A 621 -8.145 3.594 10.657 1.00 31.42 H new ATOM 0 HG12 VAL A 621 -7.435 2.816 12.091 1.00 31.42 H new ATOM 0 HG13 VAL A 621 -6.398 3.729 10.970 1.00 31.42 H new ATOM 0 HG21 VAL A 621 -7.695 2.700 8.418 1.00 0.32 H new ATOM 0 HG22 VAL A 621 -5.938 2.795 8.689 1.00 0.32 H new ATOM 0 HG23 VAL A 621 -6.682 1.252 8.206 1.00 0.32 H new ATOM 621 N LYS A 622 -5.176 1.460 12.989 1.00 50.05 N ATOM 622 CA LYS A 622 -5.091 1.349 14.407 1.00 64.20 C ATOM 623 C LYS A 622 -6.054 2.329 15.083 1.00 13.43 C ATOM 624 O LYS A 622 -6.924 1.932 15.844 1.00 63.01 O ATOM 625 CB LYS A 622 -3.637 1.648 14.739 1.00 52.34 C ATOM 626 CG LYS A 622 -3.274 2.044 16.104 1.00 1.22 C ATOM 627 CD LYS A 622 -1.786 2.232 16.092 1.00 11.13 C ATOM 628 CE LYS A 622 -1.298 3.082 17.244 1.00 25.13 C ATOM 629 NZ LYS A 622 -1.628 2.528 18.579 1.00 61.42 N ATOM 0 H LYS A 622 -4.559 2.179 12.611 1.00 50.05 H new ATOM 0 HA LYS A 622 -5.379 0.362 14.769 1.00 64.20 H new ATOM 0 HB2 LYS A 622 -3.056 0.759 14.491 1.00 52.34 H new ATOM 0 HB3 LYS A 622 -3.306 2.442 14.070 1.00 52.34 H new ATOM 0 HG2 LYS A 622 -3.782 2.964 16.393 1.00 1.22 H new ATOM 0 HG3 LYS A 622 -3.566 1.279 16.824 1.00 1.22 H new ATOM 0 HD2 LYS A 622 -1.300 1.257 16.133 1.00 11.13 H new ATOM 0 HD3 LYS A 622 -1.490 2.697 15.151 1.00 11.13 H new ATOM 0 HE2 LYS A 622 -0.217 3.197 17.166 1.00 25.13 H new ATOM 0 HE3 LYS A 622 -1.732 4.078 17.157 1.00 25.13 H new ATOM 0 HZ1 LYS A 622 -1.110 3.054 19.311 1.00 61.42 H new ATOM 0 HZ2 LYS A 622 -2.650 2.616 18.748 1.00 61.42 H new ATOM 0 HZ3 LYS A 622 -1.356 1.525 18.616 1.00 61.42 H new ATOM 643 N SER A 623 -5.884 3.597 14.816 1.00 30.20 N ATOM 644 CA SER A 623 -6.722 4.619 15.412 1.00 5.20 C ATOM 645 C SER A 623 -6.838 5.800 14.466 1.00 25.12 C ATOM 646 O SER A 623 -5.901 6.083 13.728 1.00 30.21 O ATOM 647 CB SER A 623 -6.119 5.070 16.752 1.00 10.22 C ATOM 648 OG SER A 623 -5.944 3.958 17.631 1.00 74.11 O ATOM 0 H SER A 623 -5.167 3.955 14.184 1.00 30.20 H new ATOM 0 HA SER A 623 -7.716 4.211 15.593 1.00 5.20 H new ATOM 0 HB2 SER A 623 -5.159 5.556 16.578 1.00 10.22 H new ATOM 0 HB3 SER A 623 -6.771 5.809 17.219 1.00 10.22 H new ATOM 0 HG SER A 623 -5.558 4.267 18.477 1.00 74.11 H new ATOM 654 N ILE A 624 -7.969 6.463 14.454 1.00 73.24 N ATOM 655 CA ILE A 624 -8.114 7.662 13.667 1.00 61.45 C ATOM 656 C ILE A 624 -7.810 8.875 14.526 1.00 21.10 C ATOM 657 O ILE A 624 -8.308 8.997 15.652 1.00 52.23 O ATOM 658 CB ILE A 624 -9.541 7.806 13.005 1.00 21.00 C ATOM 659 CG1 ILE A 624 -9.761 6.792 11.871 1.00 55.24 C ATOM 660 CG2 ILE A 624 -9.788 9.216 12.486 1.00 75.14 C ATOM 661 CD1 ILE A 624 -9.798 5.345 12.276 1.00 32.34 C ATOM 0 H ILE A 624 -8.801 6.193 14.979 1.00 73.24 H new ATOM 0 HA ILE A 624 -7.400 7.592 12.846 1.00 61.45 H new ATOM 0 HB ILE A 624 -10.259 7.596 13.797 1.00 21.00 H new ATOM 0 HG12 ILE A 624 -10.700 7.033 11.373 1.00 55.24 H new ATOM 0 HG13 ILE A 624 -8.967 6.922 11.135 1.00 55.24 H new ATOM 0 HG21 ILE A 624 -10.781 9.270 12.039 1.00 75.14 H new ATOM 0 HG22 ILE A 624 -9.723 9.924 13.312 1.00 75.14 H new ATOM 0 HG23 ILE A 624 -9.038 9.464 11.735 1.00 75.14 H new ATOM 0 HD11 ILE A 624 -9.958 4.724 11.394 1.00 32.34 H new ATOM 0 HD12 ILE A 624 -8.851 5.074 12.743 1.00 32.34 H new ATOM 0 HD13 ILE A 624 -10.611 5.186 12.984 1.00 32.34 H new ATOM 673 N ILE A 625 -6.980 9.741 14.020 1.00 3.32 N ATOM 674 CA ILE A 625 -6.666 10.966 14.695 1.00 74.14 C ATOM 675 C ILE A 625 -7.638 12.004 14.201 1.00 32.21 C ATOM 676 O ILE A 625 -7.625 12.361 13.017 1.00 61.22 O ATOM 677 CB ILE A 625 -5.197 11.434 14.406 1.00 62.12 C ATOM 678 CG1 ILE A 625 -4.200 10.383 14.912 1.00 52.25 C ATOM 679 CG2 ILE A 625 -4.922 12.790 15.060 1.00 4.22 C ATOM 680 CD1 ILE A 625 -2.754 10.732 14.627 1.00 11.32 C ATOM 0 H ILE A 625 -6.502 9.617 13.128 1.00 3.32 H new ATOM 0 HA ILE A 625 -6.745 10.820 15.772 1.00 74.14 H new ATOM 0 HB ILE A 625 -5.074 11.545 13.329 1.00 62.12 H new ATOM 0 HG12 ILE A 625 -4.330 10.259 15.987 1.00 52.25 H new ATOM 0 HG13 ILE A 625 -4.431 9.423 14.450 1.00 52.25 H new ATOM 0 HG21 ILE A 625 -3.898 13.096 14.847 1.00 4.22 H new ATOM 0 HG22 ILE A 625 -5.613 13.533 14.661 1.00 4.22 H new ATOM 0 HG23 ILE A 625 -5.059 12.708 16.138 1.00 4.22 H new ATOM 0 HD11 ILE A 625 -2.107 9.944 15.013 1.00 11.32 H new ATOM 0 HD12 ILE A 625 -2.608 10.827 13.551 1.00 11.32 H new ATOM 0 HD13 ILE A 625 -2.505 11.676 15.112 1.00 11.32 H new ATOM 692 N ASN A 626 -8.504 12.469 15.067 1.00 45.15 N ATOM 693 CA ASN A 626 -9.487 13.451 14.664 1.00 41.00 C ATOM 694 C ASN A 626 -8.863 14.817 14.604 1.00 24.03 C ATOM 695 O ASN A 626 -8.901 15.597 15.559 1.00 74.31 O ATOM 696 CB ASN A 626 -10.760 13.424 15.529 1.00 44.21 C ATOM 697 CG ASN A 626 -11.526 12.111 15.417 1.00 34.44 C ATOM 698 OD1 ASN A 626 -12.395 11.956 14.559 1.00 3.03 O ATOM 699 ND2 ASN A 626 -11.231 11.169 16.276 1.00 22.05 N ATOM 0 H ASN A 626 -8.551 12.189 16.047 1.00 45.15 H new ATOM 0 HA ASN A 626 -9.822 13.185 13.662 1.00 41.00 H new ATOM 0 HB2 ASN A 626 -10.489 13.593 16.571 1.00 44.21 H new ATOM 0 HB3 ASN A 626 -11.412 14.246 15.232 1.00 44.21 H new ATOM 0 HD21 ASN A 626 -11.726 10.278 16.246 1.00 22.05 H new ATOM 0 HD22 ASN A 626 -10.506 11.326 16.976 1.00 22.05 H new ATOM 706 N GLY A 627 -8.208 15.043 13.514 1.00 52.23 N ATOM 707 CA GLY A 627 -7.516 16.258 13.254 1.00 55.12 C ATOM 708 C GLY A 627 -6.563 16.032 12.124 1.00 31.13 C ATOM 709 O GLY A 627 -5.398 16.429 12.180 1.00 24.33 O ATOM 0 H GLY A 627 -8.138 14.364 12.756 1.00 52.23 H new ATOM 0 HA2 GLY A 627 -8.222 17.049 13.001 1.00 55.12 H new ATOM 0 HA3 GLY A 627 -6.977 16.584 14.144 1.00 55.12 H new ATOM 713 N GLY A 628 -7.064 15.368 11.101 1.00 3.12 N ATOM 714 CA GLY A 628 -6.279 15.023 9.956 1.00 74.54 C ATOM 715 C GLY A 628 -7.140 14.994 8.725 1.00 5.25 C ATOM 716 O GLY A 628 -8.376 14.862 8.823 1.00 53.12 O ATOM 0 H GLY A 628 -8.034 15.056 11.051 1.00 3.12 H new ATOM 0 HA2 GLY A 628 -5.473 15.745 9.828 1.00 74.54 H new ATOM 0 HA3 GLY A 628 -5.813 14.049 10.106 1.00 74.54 H new ATOM 720 N ALA A 629 -6.524 15.109 7.579 1.00 62.10 N ATOM 721 CA ALA A 629 -7.246 15.162 6.325 1.00 25.40 C ATOM 722 C ALA A 629 -7.862 13.824 5.962 1.00 61.01 C ATOM 723 O ALA A 629 -8.959 13.777 5.425 1.00 33.40 O ATOM 724 CB ALA A 629 -6.369 15.708 5.217 1.00 51.23 C ATOM 0 H ALA A 629 -5.510 15.169 7.483 1.00 62.10 H new ATOM 0 HA ALA A 629 -8.078 15.854 6.455 1.00 25.40 H new ATOM 0 HB1 ALA A 629 -6.935 15.737 4.286 1.00 51.23 H new ATOM 0 HB2 ALA A 629 -6.042 16.715 5.475 1.00 51.23 H new ATOM 0 HB3 ALA A 629 -5.498 15.065 5.092 1.00 51.23 H new ATOM 730 N ALA A 630 -7.182 12.740 6.284 1.00 72.54 N ATOM 731 CA ALA A 630 -7.698 11.404 5.972 1.00 64.14 C ATOM 732 C ALA A 630 -8.875 11.095 6.838 1.00 51.13 C ATOM 733 O ALA A 630 -9.752 10.318 6.476 1.00 62.53 O ATOM 734 CB ALA A 630 -6.630 10.351 6.147 1.00 13.21 C ATOM 0 H ALA A 630 -6.278 12.748 6.757 1.00 72.54 H new ATOM 0 HA ALA A 630 -8.010 11.396 4.928 1.00 64.14 H new ATOM 0 HB1 ALA A 630 -7.043 9.371 5.908 1.00 13.21 H new ATOM 0 HB2 ALA A 630 -5.795 10.565 5.480 1.00 13.21 H new ATOM 0 HB3 ALA A 630 -6.280 10.356 7.179 1.00 13.21 H new ATOM 740 N SER A 631 -8.890 11.707 7.956 1.00 34.54 N ATOM 741 CA SER A 631 -9.940 11.525 8.897 1.00 52.15 C ATOM 742 C SER A 631 -11.214 12.214 8.392 1.00 43.24 C ATOM 743 O SER A 631 -12.277 11.583 8.284 1.00 35.51 O ATOM 744 CB SER A 631 -9.490 12.109 10.216 1.00 33.31 C ATOM 745 OG SER A 631 -8.200 11.612 10.524 1.00 30.14 O ATOM 0 H SER A 631 -8.166 12.360 8.256 1.00 34.54 H new ATOM 0 HA SER A 631 -10.166 10.467 9.027 1.00 52.15 H new ATOM 0 HB2 SER A 631 -9.470 13.197 10.159 1.00 33.31 H new ATOM 0 HB3 SER A 631 -10.194 11.844 11.005 1.00 33.31 H new ATOM 0 HG SER A 631 -8.048 11.673 11.490 1.00 30.14 H new ATOM 751 N LYS A 632 -11.099 13.494 8.048 1.00 44.11 N ATOM 752 CA LYS A 632 -12.253 14.244 7.585 1.00 54.31 C ATOM 753 C LYS A 632 -12.639 13.893 6.159 1.00 13.04 C ATOM 754 O LYS A 632 -13.783 13.535 5.884 1.00 61.30 O ATOM 755 CB LYS A 632 -11.990 15.746 7.691 1.00 12.31 C ATOM 756 CG LYS A 632 -11.778 16.232 9.110 1.00 64.04 C ATOM 757 CD LYS A 632 -11.503 17.729 9.173 1.00 62.32 C ATOM 758 CE LYS A 632 -10.213 18.107 8.458 1.00 15.34 C ATOM 759 NZ LYS A 632 -9.898 19.542 8.612 1.00 33.12 N ATOM 0 H LYS A 632 -10.228 14.024 8.082 1.00 44.11 H new ATOM 0 HA LYS A 632 -13.087 13.969 8.230 1.00 54.31 H new ATOM 0 HB2 LYS A 632 -11.110 15.994 7.097 1.00 12.31 H new ATOM 0 HB3 LYS A 632 -12.831 16.284 7.255 1.00 12.31 H new ATOM 0 HG2 LYS A 632 -12.661 16.002 9.706 1.00 64.04 H new ATOM 0 HG3 LYS A 632 -10.942 15.692 9.556 1.00 64.04 H new ATOM 0 HD2 LYS A 632 -12.337 18.269 8.724 1.00 62.32 H new ATOM 0 HD3 LYS A 632 -11.444 18.042 10.215 1.00 62.32 H new ATOM 0 HE2 LYS A 632 -9.391 17.510 8.853 1.00 15.34 H new ATOM 0 HE3 LYS A 632 -10.301 17.866 7.399 1.00 15.34 H new ATOM 0 HZ1 LYS A 632 -10.009 20.022 7.696 1.00 33.12 H new ATOM 0 HZ2 LYS A 632 -10.545 19.967 9.306 1.00 33.12 H new ATOM 0 HZ3 LYS A 632 -8.918 19.649 8.942 1.00 33.12 H new ATOM 773 N ASP A 633 -11.682 13.963 5.261 1.00 1.15 N ATOM 774 CA ASP A 633 -11.969 13.754 3.860 1.00 13.41 C ATOM 775 C ASP A 633 -12.071 12.280 3.549 1.00 4.32 C ATOM 776 O ASP A 633 -13.052 11.827 2.988 1.00 62.12 O ATOM 777 CB ASP A 633 -10.922 14.418 2.968 1.00 61.32 C ATOM 778 CG ASP A 633 -11.341 14.447 1.512 1.00 22.23 C ATOM 779 OD1 ASP A 633 -11.211 13.436 0.816 1.00 1.44 O ATOM 780 OD2 ASP A 633 -11.801 15.510 1.044 1.00 75.33 O ATOM 0 H ASP A 633 -10.704 14.162 5.474 1.00 1.15 H new ATOM 0 HA ASP A 633 -12.931 14.221 3.649 1.00 13.41 H new ATOM 0 HB2 ASP A 633 -10.747 15.437 3.314 1.00 61.32 H new ATOM 0 HB3 ASP A 633 -9.977 13.883 3.061 1.00 61.32 H new ATOM 785 N GLY A 634 -11.051 11.540 3.968 1.00 22.11 N ATOM 786 CA GLY A 634 -10.951 10.122 3.664 1.00 34.40 C ATOM 787 C GLY A 634 -12.074 9.283 4.246 1.00 54.43 C ATOM 788 O GLY A 634 -12.587 8.401 3.559 1.00 43.55 O ATOM 0 H GLY A 634 -10.277 11.905 4.523 1.00 22.11 H new ATOM 0 HA2 GLY A 634 -10.939 9.993 2.582 1.00 34.40 H new ATOM 0 HA3 GLY A 634 -9.999 9.747 4.040 1.00 34.40 H new ATOM 792 N ARG A 635 -12.450 9.557 5.514 1.00 21.44 N ATOM 793 CA ARG A 635 -13.557 8.834 6.200 1.00 32.01 C ATOM 794 C ARG A 635 -13.184 7.359 6.471 1.00 63.34 C ATOM 795 O ARG A 635 -14.059 6.484 6.501 1.00 63.25 O ATOM 796 CB ARG A 635 -14.855 8.896 5.353 1.00 53.23 C ATOM 797 CG ARG A 635 -15.468 10.287 5.143 1.00 2.41 C ATOM 798 CD ARG A 635 -16.131 10.853 6.403 1.00 23.52 C ATOM 799 NE ARG A 635 -15.205 11.112 7.517 1.00 44.22 N ATOM 800 CZ ARG A 635 -15.591 11.290 8.793 1.00 10.12 C ATOM 801 NH1 ARG A 635 -16.883 11.207 9.124 1.00 3.30 N ATOM 802 NH2 ARG A 635 -14.687 11.547 9.725 1.00 63.12 N ATOM 0 H ARG A 635 -12.006 10.273 6.089 1.00 21.44 H new ATOM 0 HA ARG A 635 -13.727 9.328 7.157 1.00 32.01 H new ATOM 0 HB2 ARG A 635 -14.645 8.464 4.374 1.00 53.23 H new ATOM 0 HB3 ARG A 635 -15.603 8.261 5.828 1.00 53.23 H new ATOM 0 HG2 ARG A 635 -14.689 10.973 4.811 1.00 2.41 H new ATOM 0 HG3 ARG A 635 -16.208 10.234 4.344 1.00 2.41 H new ATOM 0 HD2 ARG A 635 -16.638 11.783 6.145 1.00 23.52 H new ATOM 0 HD3 ARG A 635 -16.898 10.155 6.739 1.00 23.52 H new ATOM 0 HE ARG A 635 -14.208 11.160 7.308 1.00 44.22 H new ATOM 0 HH11 ARG A 635 -17.581 11.008 8.408 1.00 3.30 H new ATOM 0 HH12 ARG A 635 -17.171 11.343 10.093 1.00 3.30 H new ATOM 0 HH21 ARG A 635 -13.700 11.610 9.475 1.00 63.12 H new ATOM 0 HH22 ARG A 635 -14.977 11.682 10.693 1.00 63.12 H new ATOM 816 N LEU A 636 -11.905 7.091 6.714 1.00 74.42 N ATOM 817 CA LEU A 636 -11.459 5.709 6.965 1.00 31.05 C ATOM 818 C LEU A 636 -11.939 5.164 8.299 1.00 73.12 C ATOM 819 O LEU A 636 -12.273 5.918 9.226 1.00 64.13 O ATOM 820 CB LEU A 636 -9.932 5.492 6.820 1.00 61.25 C ATOM 821 CG LEU A 636 -9.340 5.601 5.409 1.00 33.11 C ATOM 822 CD1 LEU A 636 -9.387 7.010 4.897 1.00 25.44 C ATOM 823 CD2 LEU A 636 -7.928 5.045 5.363 1.00 11.10 C ATOM 0 H LEU A 636 -11.165 7.792 6.744 1.00 74.42 H new ATOM 0 HA LEU A 636 -11.936 5.139 6.167 1.00 31.05 H new ATOM 0 HB2 LEU A 636 -9.426 6.218 7.456 1.00 61.25 H new ATOM 0 HB3 LEU A 636 -9.692 4.503 7.212 1.00 61.25 H new ATOM 0 HG LEU A 636 -9.959 4.995 4.747 1.00 33.11 H new ATOM 0 HD11 LEU A 636 -8.959 7.048 3.895 1.00 25.44 H new ATOM 0 HD12 LEU A 636 -10.422 7.350 4.862 1.00 25.44 H new ATOM 0 HD13 LEU A 636 -8.814 7.658 5.561 1.00 25.44 H new ATOM 0 HD21 LEU A 636 -7.534 5.136 4.351 1.00 11.10 H new ATOM 0 HD22 LEU A 636 -7.294 5.605 6.051 1.00 11.10 H new ATOM 0 HD23 LEU A 636 -7.941 3.995 5.655 1.00 11.10 H new ATOM 835 N ARG A 637 -11.952 3.857 8.379 1.00 73.44 N ATOM 836 CA ARG A 637 -12.418 3.142 9.566 1.00 32.43 C ATOM 837 C ARG A 637 -11.289 2.360 10.246 1.00 22.20 C ATOM 838 O ARG A 637 -10.276 2.048 9.619 1.00 22.42 O ATOM 839 CB ARG A 637 -13.657 2.247 9.223 1.00 42.03 C ATOM 840 CG ARG A 637 -13.487 1.245 8.074 1.00 4.03 C ATOM 841 CD ARG A 637 -12.691 0.028 8.489 1.00 3.15 C ATOM 842 NE ARG A 637 -12.364 -0.846 7.357 1.00 32.41 N ATOM 843 CZ ARG A 637 -12.237 -2.168 7.429 1.00 75.42 C ATOM 844 NH1 ARG A 637 -12.663 -2.818 8.501 1.00 63.03 N ATOM 845 NH2 ARG A 637 -11.696 -2.838 6.419 1.00 12.14 N ATOM 0 H ARG A 637 -11.640 3.246 7.624 1.00 73.44 H new ATOM 0 HA ARG A 637 -12.747 3.880 10.297 1.00 32.43 H new ATOM 0 HB2 ARG A 637 -13.935 1.693 10.119 1.00 42.03 H new ATOM 0 HB3 ARG A 637 -14.494 2.903 8.982 1.00 42.03 H new ATOM 0 HG2 ARG A 637 -14.469 0.931 7.720 1.00 4.03 H new ATOM 0 HG3 ARG A 637 -12.988 1.735 7.238 1.00 4.03 H new ATOM 0 HD2 ARG A 637 -11.769 0.350 8.973 1.00 3.15 H new ATOM 0 HD3 ARG A 637 -13.258 -0.538 9.228 1.00 3.15 H new ATOM 0 HE ARG A 637 -12.224 -0.407 6.447 1.00 32.41 H new ATOM 0 HH11 ARG A 637 -13.089 -2.305 9.273 1.00 63.03 H new ATOM 0 HH12 ARG A 637 -12.565 -3.832 8.555 1.00 63.03 H new ATOM 0 HH21 ARG A 637 -11.378 -2.339 5.588 1.00 12.14 H new ATOM 0 HH22 ARG A 637 -11.598 -3.852 6.474 1.00 12.14 H new ATOM 859 N VAL A 638 -11.470 2.058 11.526 1.00 13.42 N ATOM 860 CA VAL A 638 -10.481 1.310 12.304 1.00 63.42 C ATOM 861 C VAL A 638 -10.395 -0.140 11.806 1.00 31.04 C ATOM 862 O VAL A 638 -11.405 -0.726 11.391 1.00 43.12 O ATOM 863 CB VAL A 638 -10.813 1.328 13.844 1.00 61.15 C ATOM 864 CG1 VAL A 638 -9.814 0.502 14.651 1.00 14.34 C ATOM 865 CG2 VAL A 638 -10.836 2.746 14.376 1.00 54.55 C ATOM 0 H VAL A 638 -12.301 2.322 12.055 1.00 13.42 H new ATOM 0 HA VAL A 638 -9.517 1.800 12.163 1.00 63.42 H new ATOM 0 HB VAL A 638 -11.801 0.882 13.958 1.00 61.15 H new ATOM 0 HG11 VAL A 638 -10.079 0.541 15.708 1.00 14.34 H new ATOM 0 HG12 VAL A 638 -9.837 -0.533 14.309 1.00 14.34 H new ATOM 0 HG13 VAL A 638 -8.812 0.907 14.513 1.00 14.34 H new ATOM 0 HG21 VAL A 638 -11.067 2.731 15.441 1.00 54.55 H new ATOM 0 HG22 VAL A 638 -9.861 3.208 14.223 1.00 54.55 H new ATOM 0 HG23 VAL A 638 -11.597 3.321 13.847 1.00 54.55 H new ATOM 875 N ASN A 639 -9.176 -0.684 11.826 1.00 54.21 N ATOM 876 CA ASN A 639 -8.866 -2.069 11.433 1.00 24.01 C ATOM 877 C ASN A 639 -9.116 -2.252 9.920 1.00 34.21 C ATOM 878 O ASN A 639 -9.445 -3.340 9.437 1.00 11.51 O ATOM 879 CB ASN A 639 -9.690 -3.067 12.299 1.00 45.44 C ATOM 880 CG ASN A 639 -9.187 -4.531 12.275 1.00 42.15 C ATOM 881 OD1 ASN A 639 -8.618 -5.016 11.304 1.00 51.15 O ATOM 882 ND2 ASN A 639 -9.394 -5.230 13.363 1.00 64.52 N ATOM 0 H ASN A 639 -8.352 -0.162 12.124 1.00 54.21 H new ATOM 0 HA ASN A 639 -7.813 -2.281 11.616 1.00 24.01 H new ATOM 0 HB2 ASN A 639 -9.688 -2.716 13.331 1.00 45.44 H new ATOM 0 HB3 ASN A 639 -10.725 -3.050 11.959 1.00 45.44 H new ATOM 0 HD21 ASN A 639 -9.079 -6.199 13.414 1.00 64.52 H new ATOM 0 HD22 ASN A 639 -9.870 -4.805 14.159 1.00 64.52 H new ATOM 889 N ASP A 640 -8.954 -1.172 9.170 1.00 62.45 N ATOM 890 CA ASP A 640 -9.034 -1.262 7.724 1.00 35.52 C ATOM 891 C ASP A 640 -7.671 -1.746 7.238 1.00 71.15 C ATOM 892 O ASP A 640 -6.669 -1.406 7.848 1.00 51.14 O ATOM 893 CB ASP A 640 -9.340 0.094 7.082 1.00 22.53 C ATOM 894 CG ASP A 640 -9.798 -0.063 5.642 1.00 64.12 C ATOM 895 OD1 ASP A 640 -9.016 -0.481 4.819 1.00 61.51 O ATOM 896 OD2 ASP A 640 -11.012 0.189 5.365 1.00 2.44 O ATOM 0 H ASP A 640 -8.769 -0.237 9.534 1.00 62.45 H new ATOM 0 HA ASP A 640 -9.840 -1.941 7.445 1.00 35.52 H new ATOM 0 HB2 ASP A 640 -10.113 0.604 7.657 1.00 22.53 H new ATOM 0 HB3 ASP A 640 -8.450 0.723 7.116 1.00 22.53 H new ATOM 901 N GLN A 641 -7.615 -2.517 6.190 1.00 74.30 N ATOM 902 CA GLN A 641 -6.348 -3.064 5.740 1.00 40.05 C ATOM 903 C GLN A 641 -5.821 -2.207 4.584 1.00 61.03 C ATOM 904 O GLN A 641 -6.408 -2.172 3.504 1.00 2.11 O ATOM 905 CB GLN A 641 -6.528 -4.553 5.335 1.00 40.21 C ATOM 906 CG GLN A 641 -5.242 -5.425 5.329 1.00 52.22 C ATOM 907 CD GLN A 641 -4.215 -5.089 4.278 1.00 41.34 C ATOM 908 OE1 GLN A 641 -4.242 -5.627 3.189 1.00 13.02 O ATOM 909 NE2 GLN A 641 -3.298 -4.229 4.601 1.00 14.01 N ATOM 0 H GLN A 641 -8.422 -2.785 5.627 1.00 74.30 H new ATOM 0 HA GLN A 641 -5.613 -3.038 6.544 1.00 40.05 H new ATOM 0 HB2 GLN A 641 -7.247 -5.008 6.016 1.00 40.21 H new ATOM 0 HB3 GLN A 641 -6.968 -4.586 4.338 1.00 40.21 H new ATOM 0 HG2 GLN A 641 -4.769 -5.345 6.308 1.00 52.22 H new ATOM 0 HG3 GLN A 641 -5.535 -6.467 5.201 1.00 52.22 H new ATOM 0 HE21 GLN A 641 -3.307 -3.797 5.525 1.00 14.01 H new ATOM 0 HE22 GLN A 641 -2.569 -3.985 3.931 1.00 14.01 H new ATOM 918 N LEU A 642 -4.724 -1.514 4.840 1.00 71.33 N ATOM 919 CA LEU A 642 -4.104 -0.619 3.874 1.00 31.05 C ATOM 920 C LEU A 642 -3.404 -1.412 2.774 1.00 44.11 C ATOM 921 O LEU A 642 -2.399 -2.097 3.014 1.00 0.32 O ATOM 922 CB LEU A 642 -3.133 0.397 4.552 1.00 14.44 C ATOM 923 CG LEU A 642 -3.729 1.446 5.503 1.00 72.43 C ATOM 924 CD1 LEU A 642 -4.326 0.806 6.739 1.00 25.11 C ATOM 925 CD2 LEU A 642 -2.672 2.450 5.895 1.00 3.11 C ATOM 0 H LEU A 642 -4.233 -1.557 5.733 1.00 71.33 H new ATOM 0 HA LEU A 642 -4.900 -0.032 3.416 1.00 31.05 H new ATOM 0 HB2 LEU A 642 -2.390 -0.174 5.109 1.00 14.44 H new ATOM 0 HB3 LEU A 642 -2.601 0.927 3.762 1.00 14.44 H new ATOM 0 HG LEU A 642 -4.533 1.956 4.974 1.00 72.43 H new ATOM 0 HD11 LEU A 642 -4.737 1.580 7.387 1.00 25.11 H new ATOM 0 HD12 LEU A 642 -5.120 0.119 6.446 1.00 25.11 H new ATOM 0 HD13 LEU A 642 -3.551 0.258 7.275 1.00 25.11 H new ATOM 0 HD21 LEU A 642 -3.105 3.189 6.569 1.00 3.11 H new ATOM 0 HD22 LEU A 642 -1.852 1.937 6.397 1.00 3.11 H new ATOM 0 HD23 LEU A 642 -2.296 2.949 5.002 1.00 3.11 H new ATOM 937 N ILE A 643 -3.938 -1.307 1.583 1.00 24.01 N ATOM 938 CA ILE A 643 -3.494 -2.086 0.443 1.00 10.42 C ATOM 939 C ILE A 643 -2.409 -1.366 -0.335 1.00 54.11 C ATOM 940 O ILE A 643 -1.332 -1.913 -0.574 1.00 12.30 O ATOM 941 CB ILE A 643 -4.679 -2.329 -0.522 1.00 42.01 C ATOM 942 CG1 ILE A 643 -5.853 -2.968 0.209 1.00 11.44 C ATOM 943 CG2 ILE A 643 -4.255 -3.184 -1.721 1.00 40.41 C ATOM 944 CD1 ILE A 643 -5.587 -4.358 0.731 1.00 24.22 C ATOM 0 H ILE A 643 -4.705 -0.670 1.370 1.00 24.01 H new ATOM 0 HA ILE A 643 -3.101 -3.027 0.829 1.00 10.42 H new ATOM 0 HB ILE A 643 -5.000 -1.359 -0.902 1.00 42.01 H new ATOM 0 HG12 ILE A 643 -6.135 -2.328 1.045 1.00 11.44 H new ATOM 0 HG13 ILE A 643 -6.708 -3.005 -0.466 1.00 11.44 H new ATOM 0 HG21 ILE A 643 -5.110 -3.336 -2.380 1.00 40.41 H new ATOM 0 HG22 ILE A 643 -3.461 -2.675 -2.268 1.00 40.41 H new ATOM 0 HG23 ILE A 643 -3.892 -4.149 -1.369 1.00 40.41 H new ATOM 0 HD11 ILE A 643 -6.477 -4.733 1.236 1.00 24.22 H new ATOM 0 HD12 ILE A 643 -5.336 -5.017 -0.100 1.00 24.22 H new ATOM 0 HD13 ILE A 643 -4.755 -4.329 1.435 1.00 24.22 H new ATOM 956 N ALA A 644 -2.698 -0.155 -0.744 1.00 31.05 N ATOM 957 CA ALA A 644 -1.785 0.569 -1.608 1.00 60.51 C ATOM 958 C ALA A 644 -1.726 2.053 -1.272 1.00 14.31 C ATOM 959 O ALA A 644 -2.696 2.621 -0.769 1.00 55.44 O ATOM 960 CB ALA A 644 -2.207 0.374 -3.058 1.00 71.13 C ATOM 0 H ALA A 644 -3.549 0.350 -0.498 1.00 31.05 H new ATOM 0 HA ALA A 644 -0.784 0.168 -1.451 1.00 60.51 H new ATOM 0 HB1 ALA A 644 -1.524 0.916 -3.712 1.00 71.13 H new ATOM 0 HB2 ALA A 644 -2.180 -0.687 -3.305 1.00 71.13 H new ATOM 0 HB3 ALA A 644 -3.219 0.753 -3.196 1.00 71.13 H new ATOM 966 N VAL A 645 -0.583 2.676 -1.560 1.00 51.14 N ATOM 967 CA VAL A 645 -0.386 4.105 -1.335 1.00 55.41 C ATOM 968 C VAL A 645 0.221 4.753 -2.572 1.00 42.15 C ATOM 969 O VAL A 645 1.139 4.205 -3.174 1.00 62.13 O ATOM 970 CB VAL A 645 0.505 4.442 -0.086 1.00 60.25 C ATOM 971 CG1 VAL A 645 -0.099 3.907 1.182 1.00 73.11 C ATOM 972 CG2 VAL A 645 1.937 3.943 -0.239 1.00 3.24 C ATOM 0 H VAL A 645 0.230 2.204 -1.955 1.00 51.14 H new ATOM 0 HA VAL A 645 -1.377 4.509 -1.131 1.00 55.41 H new ATOM 0 HB VAL A 645 0.541 5.530 -0.023 1.00 60.25 H new ATOM 0 HG11 VAL A 645 0.544 4.158 2.026 1.00 73.11 H new ATOM 0 HG12 VAL A 645 -1.084 4.350 1.331 1.00 73.11 H new ATOM 0 HG13 VAL A 645 -0.196 2.824 1.110 1.00 73.11 H new ATOM 0 HG21 VAL A 645 2.510 4.202 0.652 1.00 3.24 H new ATOM 0 HG22 VAL A 645 1.933 2.860 -0.366 1.00 3.24 H new ATOM 0 HG23 VAL A 645 2.393 4.409 -1.112 1.00 3.24 H new ATOM 982 N ASN A 646 -0.328 5.903 -2.954 1.00 33.40 N ATOM 983 CA ASN A 646 0.132 6.698 -4.126 1.00 72.24 C ATOM 984 C ASN A 646 0.389 5.869 -5.380 1.00 22.21 C ATOM 985 O ASN A 646 1.277 6.176 -6.177 1.00 44.23 O ATOM 986 CB ASN A 646 1.341 7.574 -3.770 1.00 2.33 C ATOM 987 CG ASN A 646 0.942 8.722 -2.872 1.00 50.32 C ATOM 988 OD1 ASN A 646 -0.177 9.202 -2.939 1.00 63.11 O ATOM 989 ND2 ASN A 646 1.838 9.173 -2.036 1.00 41.33 N ATOM 0 H ASN A 646 -1.115 6.328 -2.463 1.00 33.40 H new ATOM 0 HA ASN A 646 -0.703 7.351 -4.380 1.00 72.24 H new ATOM 0 HB2 ASN A 646 2.099 6.968 -3.274 1.00 2.33 H new ATOM 0 HB3 ASN A 646 1.792 7.963 -4.683 1.00 2.33 H new ATOM 0 HD21 ASN A 646 1.611 9.949 -1.414 1.00 41.33 H new ATOM 0 HD22 ASN A 646 2.765 8.749 -2.005 1.00 41.33 H new ATOM 996 N GLY A 647 -0.423 4.857 -5.582 1.00 23.44 N ATOM 997 CA GLY A 647 -0.264 4.029 -6.758 1.00 13.15 C ATOM 998 C GLY A 647 0.472 2.723 -6.527 1.00 12.32 C ATOM 999 O GLY A 647 0.289 1.780 -7.294 1.00 61.43 O ATOM 0 H GLY A 647 -1.187 4.589 -4.961 1.00 23.44 H new ATOM 0 HA2 GLY A 647 -1.251 3.806 -7.163 1.00 13.15 H new ATOM 0 HA3 GLY A 647 0.270 4.601 -7.517 1.00 13.15 H new ATOM 1003 N GLU A 648 1.280 2.636 -5.492 1.00 34.33 N ATOM 1004 CA GLU A 648 2.028 1.417 -5.255 1.00 65.12 C ATOM 1005 C GLU A 648 1.280 0.485 -4.332 1.00 20.14 C ATOM 1006 O GLU A 648 0.797 0.905 -3.289 1.00 31.05 O ATOM 1007 CB GLU A 648 3.420 1.687 -4.672 1.00 13.32 C ATOM 1008 CG GLU A 648 4.169 0.391 -4.392 1.00 23.22 C ATOM 1009 CD GLU A 648 5.531 0.568 -3.813 1.00 3.45 C ATOM 1010 OE1 GLU A 648 6.427 1.056 -4.526 1.00 13.32 O ATOM 1011 OE2 GLU A 648 5.745 0.161 -2.656 1.00 74.04 O ATOM 0 H GLU A 648 1.435 3.380 -4.811 1.00 34.33 H new ATOM 0 HA GLU A 648 2.150 0.946 -6.230 1.00 65.12 H new ATOM 0 HB2 GLU A 648 3.995 2.298 -5.368 1.00 13.32 H new ATOM 0 HB3 GLU A 648 3.324 2.260 -3.750 1.00 13.32 H new ATOM 0 HG2 GLU A 648 3.575 -0.215 -3.708 1.00 23.22 H new ATOM 0 HG3 GLU A 648 4.255 -0.170 -5.322 1.00 23.22 H new ATOM 1018 N SER A 649 1.190 -0.769 -4.723 1.00 52.30 N ATOM 1019 CA SER A 649 0.593 -1.789 -3.908 1.00 54.10 C ATOM 1020 C SER A 649 1.592 -2.249 -2.839 1.00 75.13 C ATOM 1021 O SER A 649 2.755 -2.558 -3.143 1.00 31.45 O ATOM 1022 CB SER A 649 0.172 -2.976 -4.778 1.00 13.33 C ATOM 1023 OG SER A 649 -0.762 -2.578 -5.780 1.00 32.33 O ATOM 0 H SER A 649 1.534 -1.105 -5.623 1.00 52.30 H new ATOM 0 HA SER A 649 -0.291 -1.382 -3.418 1.00 54.10 H new ATOM 0 HB2 SER A 649 1.051 -3.413 -5.251 1.00 13.33 H new ATOM 0 HB3 SER A 649 -0.271 -3.750 -4.151 1.00 13.33 H new ATOM 0 HG SER A 649 -1.012 -3.356 -6.322 1.00 32.33 H new ATOM 1029 N LEU A 650 1.157 -2.257 -1.604 1.00 60.44 N ATOM 1030 CA LEU A 650 1.983 -2.704 -0.499 1.00 44.33 C ATOM 1031 C LEU A 650 1.622 -4.104 -0.085 1.00 44.41 C ATOM 1032 O LEU A 650 2.385 -4.762 0.621 1.00 51.22 O ATOM 1033 CB LEU A 650 1.906 -1.754 0.708 1.00 22.34 C ATOM 1034 CG LEU A 650 2.695 -0.419 0.622 1.00 54.44 C ATOM 1035 CD1 LEU A 650 2.335 0.389 -0.597 1.00 72.33 C ATOM 1036 CD2 LEU A 650 2.448 0.406 1.862 1.00 13.53 C ATOM 0 H LEU A 650 0.222 -1.955 -1.331 1.00 60.44 H new ATOM 0 HA LEU A 650 3.013 -2.698 -0.856 1.00 44.33 H new ATOM 0 HB2 LEU A 650 0.857 -1.514 0.881 1.00 22.34 H new ATOM 0 HB3 LEU A 650 2.257 -2.296 1.586 1.00 22.34 H new ATOM 0 HG LEU A 650 3.751 -0.678 0.544 1.00 54.44 H new ATOM 0 HD11 LEU A 650 2.916 1.311 -0.607 1.00 72.33 H new ATOM 0 HD12 LEU A 650 2.556 -0.188 -1.495 1.00 72.33 H new ATOM 0 HD13 LEU A 650 1.272 0.630 -0.573 1.00 72.33 H new ATOM 0 HD21 LEU A 650 3.005 1.341 1.794 1.00 13.53 H new ATOM 0 HD22 LEU A 650 1.383 0.623 1.948 1.00 13.53 H new ATOM 0 HD23 LEU A 650 2.777 -0.149 2.740 1.00 13.53 H new ATOM 1048 N LEU A 651 0.465 -4.566 -0.519 1.00 45.44 N ATOM 1049 CA LEU A 651 0.043 -5.915 -0.222 1.00 61.14 C ATOM 1050 C LEU A 651 0.914 -6.863 -1.043 1.00 12.41 C ATOM 1051 O LEU A 651 0.674 -7.099 -2.236 1.00 45.44 O ATOM 1052 CB LEU A 651 -1.477 -6.088 -0.510 1.00 4.14 C ATOM 1053 CG LEU A 651 -2.190 -7.378 0.004 1.00 33.33 C ATOM 1054 CD1 LEU A 651 -3.680 -7.255 -0.214 1.00 42.41 C ATOM 1055 CD2 LEU A 651 -1.690 -8.645 -0.679 1.00 10.53 C ATOM 0 H LEU A 651 -0.196 -4.026 -1.077 1.00 45.44 H new ATOM 0 HA LEU A 651 0.173 -6.145 0.836 1.00 61.14 H new ATOM 0 HB2 LEU A 651 -1.995 -5.230 -0.082 1.00 4.14 H new ATOM 0 HB3 LEU A 651 -1.618 -6.039 -1.590 1.00 4.14 H new ATOM 0 HG LEU A 651 -1.958 -7.466 1.065 1.00 33.33 H new ATOM 0 HD11 LEU A 651 -4.176 -8.157 0.145 1.00 42.41 H new ATOM 0 HD12 LEU A 651 -4.058 -6.391 0.332 1.00 42.41 H new ATOM 0 HD13 LEU A 651 -3.883 -7.129 -1.277 1.00 42.41 H new ATOM 0 HD21 LEU A 651 -2.223 -9.508 -0.280 1.00 10.53 H new ATOM 0 HD22 LEU A 651 -1.867 -8.574 -1.752 1.00 10.53 H new ATOM 0 HD23 LEU A 651 -0.622 -8.761 -0.494 1.00 10.53 H new ATOM 1067 N GLY A 652 1.967 -7.304 -0.426 1.00 73.22 N ATOM 1068 CA GLY A 652 2.913 -8.179 -1.063 1.00 51.15 C ATOM 1069 C GLY A 652 4.254 -8.051 -0.403 1.00 41.52 C ATOM 1070 O GLY A 652 5.025 -9.016 -0.323 1.00 12.15 O ATOM 0 H GLY A 652 2.199 -7.068 0.539 1.00 73.22 H new ATOM 0 HA2 GLY A 652 2.565 -9.210 -1.002 1.00 51.15 H new ATOM 0 HA3 GLY A 652 2.994 -7.932 -2.122 1.00 51.15 H new ATOM 1074 N LYS A 653 4.540 -6.859 0.073 1.00 65.22 N ATOM 1075 CA LYS A 653 5.748 -6.617 0.817 1.00 11.12 C ATOM 1076 C LYS A 653 5.468 -6.791 2.302 1.00 42.43 C ATOM 1077 O LYS A 653 4.299 -6.782 2.714 1.00 31.15 O ATOM 1078 CB LYS A 653 6.368 -5.231 0.500 1.00 35.31 C ATOM 1079 CG LYS A 653 5.433 -4.026 0.665 1.00 72.24 C ATOM 1080 CD LYS A 653 6.181 -2.694 0.474 1.00 63.12 C ATOM 1081 CE LYS A 653 6.851 -2.565 -0.897 1.00 42.31 C ATOM 1082 NZ LYS A 653 5.883 -2.436 -2.007 1.00 53.21 N ATOM 0 H LYS A 653 3.945 -6.039 -0.045 1.00 65.22 H new ATOM 0 HA LYS A 653 6.495 -7.349 0.512 1.00 11.12 H new ATOM 0 HB2 LYS A 653 7.234 -5.086 1.146 1.00 35.31 H new ATOM 0 HB3 LYS A 653 6.734 -5.244 -0.527 1.00 35.31 H new ATOM 0 HG2 LYS A 653 4.621 -4.094 -0.059 1.00 72.24 H new ATOM 0 HG3 LYS A 653 4.980 -4.050 1.656 1.00 72.24 H new ATOM 0 HD2 LYS A 653 5.480 -1.870 0.607 1.00 63.12 H new ATOM 0 HD3 LYS A 653 6.939 -2.596 1.251 1.00 63.12 H new ATOM 0 HE2 LYS A 653 7.508 -1.695 -0.893 1.00 42.31 H new ATOM 0 HE3 LYS A 653 7.480 -3.438 -1.071 1.00 42.31 H new ATOM 0 HZ1 LYS A 653 6.110 -3.130 -2.748 1.00 53.21 H new ATOM 0 HZ2 LYS A 653 4.922 -2.611 -1.651 1.00 53.21 H new ATOM 0 HZ3 LYS A 653 5.936 -1.476 -2.404 1.00 53.21 H new ATOM 1096 N ALA A 654 6.512 -6.961 3.089 1.00 54.12 N ATOM 1097 CA ALA A 654 6.372 -7.197 4.529 1.00 53.44 C ATOM 1098 C ALA A 654 5.855 -5.941 5.240 1.00 5.41 C ATOM 1099 O ALA A 654 5.866 -4.847 4.643 1.00 32.10 O ATOM 1100 CB ALA A 654 7.706 -7.642 5.108 1.00 2.41 C ATOM 0 H ALA A 654 7.478 -6.941 2.761 1.00 54.12 H new ATOM 0 HA ALA A 654 5.640 -7.989 4.688 1.00 53.44 H new ATOM 0 HB1 ALA A 654 7.598 -7.816 6.179 1.00 2.41 H new ATOM 0 HB2 ALA A 654 8.025 -8.563 4.621 1.00 2.41 H new ATOM 0 HB3 ALA A 654 8.453 -6.866 4.940 1.00 2.41 H new ATOM 1106 N ASN A 655 5.429 -6.077 6.512 1.00 12.15 N ATOM 1107 CA ASN A 655 4.872 -4.930 7.263 1.00 50.44 C ATOM 1108 C ASN A 655 5.860 -3.815 7.341 1.00 33.13 C ATOM 1109 O ASN A 655 5.533 -2.685 7.037 1.00 11.42 O ATOM 1110 CB ASN A 655 4.440 -5.275 8.709 1.00 2.44 C ATOM 1111 CG ASN A 655 3.279 -6.233 8.830 1.00 52.21 C ATOM 1112 OD1 ASN A 655 2.429 -6.329 7.950 1.00 2.25 O ATOM 1113 ND2 ASN A 655 3.202 -6.903 9.953 1.00 25.24 N ATOM 0 H ASN A 655 5.458 -6.952 7.035 1.00 12.15 H new ATOM 0 HA ASN A 655 3.984 -4.637 6.703 1.00 50.44 H new ATOM 0 HB2 ASN A 655 5.296 -5.701 9.233 1.00 2.44 H new ATOM 0 HB3 ASN A 655 4.180 -4.349 9.222 1.00 2.44 H new ATOM 0 HD21 ASN A 655 2.416 -7.531 10.119 1.00 25.24 H new ATOM 0 HD22 ASN A 655 3.928 -6.797 10.661 1.00 25.24 H new ATOM 1120 N GLN A 656 7.093 -4.149 7.707 1.00 74.14 N ATOM 1121 CA GLN A 656 8.168 -3.157 7.858 1.00 43.41 C ATOM 1122 C GLN A 656 8.324 -2.343 6.585 1.00 65.51 C ATOM 1123 O GLN A 656 8.404 -1.119 6.618 1.00 24.11 O ATOM 1124 CB GLN A 656 9.483 -3.857 8.178 1.00 45.31 C ATOM 1125 CG GLN A 656 9.420 -4.733 9.410 1.00 74.31 C ATOM 1126 CD GLN A 656 10.731 -5.421 9.736 1.00 13.42 C ATOM 1127 OE1 GLN A 656 11.017 -5.701 10.899 1.00 34.23 O ATOM 1128 NE2 GLN A 656 11.528 -5.711 8.734 1.00 13.53 N ATOM 0 H GLN A 656 7.381 -5.107 7.908 1.00 74.14 H new ATOM 0 HA GLN A 656 7.905 -2.487 8.677 1.00 43.41 H new ATOM 0 HB2 GLN A 656 9.777 -4.467 7.324 1.00 45.31 H new ATOM 0 HB3 GLN A 656 10.260 -3.106 8.316 1.00 45.31 H new ATOM 0 HG2 GLN A 656 9.117 -4.125 10.262 1.00 74.31 H new ATOM 0 HG3 GLN A 656 8.648 -5.490 9.268 1.00 74.31 H new ATOM 0 HE21 GLN A 656 11.260 -5.464 7.781 1.00 13.53 H new ATOM 0 HE22 GLN A 656 12.415 -6.183 8.908 1.00 13.53 H new ATOM 1137 N GLU A 657 8.309 -3.043 5.474 1.00 14.04 N ATOM 1138 CA GLU A 657 8.454 -2.449 4.163 1.00 51.23 C ATOM 1139 C GLU A 657 7.281 -1.553 3.872 1.00 35.14 C ATOM 1140 O GLU A 657 7.446 -0.412 3.445 1.00 45.25 O ATOM 1141 CB GLU A 657 8.507 -3.548 3.119 1.00 50.15 C ATOM 1142 CG GLU A 657 9.633 -4.526 3.317 1.00 52.24 C ATOM 1143 CD GLU A 657 10.967 -3.866 3.201 1.00 64.24 C ATOM 1144 OE1 GLU A 657 11.469 -3.741 2.079 1.00 13.12 O ATOM 1145 OE2 GLU A 657 11.540 -3.463 4.228 1.00 72.22 O ATOM 0 H GLU A 657 8.194 -4.056 5.454 1.00 14.04 H new ATOM 0 HA GLU A 657 9.372 -1.862 4.136 1.00 51.23 H new ATOM 0 HB2 GLU A 657 7.562 -4.091 3.129 1.00 50.15 H new ATOM 0 HB3 GLU A 657 8.603 -3.094 2.133 1.00 50.15 H new ATOM 0 HG2 GLU A 657 9.542 -4.992 4.298 1.00 52.24 H new ATOM 0 HG3 GLU A 657 9.556 -5.323 2.578 1.00 52.24 H new ATOM 1152 N ALA A 658 6.099 -2.079 4.117 1.00 13.34 N ATOM 1153 CA ALA A 658 4.868 -1.375 3.879 1.00 70.22 C ATOM 1154 C ALA A 658 4.815 -0.089 4.679 1.00 35.22 C ATOM 1155 O ALA A 658 4.524 0.955 4.143 1.00 61.24 O ATOM 1156 CB ALA A 658 3.684 -2.263 4.215 1.00 3.44 C ATOM 0 H ALA A 658 5.971 -3.019 4.491 1.00 13.34 H new ATOM 0 HA ALA A 658 4.821 -1.114 2.822 1.00 70.22 H new ATOM 0 HB1 ALA A 658 2.757 -1.719 4.031 1.00 3.44 H new ATOM 0 HB2 ALA A 658 3.711 -3.156 3.591 1.00 3.44 H new ATOM 0 HB3 ALA A 658 3.732 -2.552 5.265 1.00 3.44 H new ATOM 1162 N MET A 659 5.147 -0.171 5.948 1.00 71.41 N ATOM 1163 CA MET A 659 5.093 0.985 6.839 1.00 41.30 C ATOM 1164 C MET A 659 6.087 2.038 6.414 1.00 1.12 C ATOM 1165 O MET A 659 5.767 3.231 6.417 1.00 13.23 O ATOM 1166 CB MET A 659 5.330 0.564 8.276 1.00 23.11 C ATOM 1167 CG MET A 659 4.399 -0.555 8.703 1.00 53.20 C ATOM 1168 SD MET A 659 4.661 -1.171 10.364 1.00 61.44 S ATOM 1169 CE MET A 659 4.122 0.218 11.298 1.00 1.54 C ATOM 0 H MET A 659 5.461 -1.031 6.397 1.00 71.41 H new ATOM 0 HA MET A 659 4.096 1.420 6.773 1.00 41.30 H new ATOM 0 HB2 MET A 659 6.364 0.239 8.392 1.00 23.11 H new ATOM 0 HB3 MET A 659 5.190 1.422 8.933 1.00 23.11 H new ATOM 0 HG2 MET A 659 3.371 -0.202 8.621 1.00 53.20 H new ATOM 0 HG3 MET A 659 4.508 -1.384 8.004 1.00 53.20 H new ATOM 0 HE1 MET A 659 4.942 0.581 11.917 1.00 1.54 H new ATOM 0 HE2 MET A 659 3.801 1.010 10.621 1.00 1.54 H new ATOM 0 HE3 MET A 659 3.288 -0.074 11.936 1.00 1.54 H new ATOM 1179 N GLU A 660 7.284 1.611 6.008 1.00 54.42 N ATOM 1180 CA GLU A 660 8.271 2.565 5.552 1.00 40.23 C ATOM 1181 C GLU A 660 7.836 3.191 4.236 1.00 44.52 C ATOM 1182 O GLU A 660 7.968 4.392 4.054 1.00 31.15 O ATOM 1183 CB GLU A 660 9.673 1.964 5.450 1.00 43.11 C ATOM 1184 CG GLU A 660 10.218 1.449 6.776 1.00 41.23 C ATOM 1185 CD GLU A 660 11.661 1.017 6.683 1.00 30.12 C ATOM 1186 OE1 GLU A 660 11.940 -0.071 6.152 1.00 31.42 O ATOM 1187 OE2 GLU A 660 12.546 1.783 7.129 1.00 11.12 O ATOM 0 H GLU A 660 7.580 0.635 5.988 1.00 54.42 H new ATOM 0 HA GLU A 660 8.334 3.349 6.306 1.00 40.23 H new ATOM 0 HB2 GLU A 660 9.656 1.144 4.732 1.00 43.11 H new ATOM 0 HB3 GLU A 660 10.354 2.718 5.056 1.00 43.11 H new ATOM 0 HG2 GLU A 660 10.125 2.230 7.531 1.00 41.23 H new ATOM 0 HG3 GLU A 660 9.612 0.607 7.111 1.00 41.23 H new ATOM 1194 N THR A 661 7.270 2.381 3.340 1.00 50.33 N ATOM 1195 CA THR A 661 6.779 2.893 2.065 1.00 10.13 C ATOM 1196 C THR A 661 5.602 3.853 2.306 1.00 11.12 C ATOM 1197 O THR A 661 5.494 4.902 1.672 1.00 52.14 O ATOM 1198 CB THR A 661 6.325 1.739 1.134 1.00 13.31 C ATOM 1199 OG1 THR A 661 7.433 0.855 0.878 1.00 32.24 O ATOM 1200 CG2 THR A 661 5.799 2.282 -0.192 1.00 20.24 C ATOM 0 H THR A 661 7.142 1.378 3.474 1.00 50.33 H new ATOM 0 HA THR A 661 7.596 3.426 1.578 1.00 10.13 H new ATOM 0 HB THR A 661 5.523 1.195 1.633 1.00 13.31 H new ATOM 0 HG1 THR A 661 7.617 0.321 1.679 1.00 32.24 H new ATOM 0 HG21 THR A 661 5.487 1.453 -0.827 1.00 20.24 H new ATOM 0 HG22 THR A 661 4.947 2.936 -0.005 1.00 20.24 H new ATOM 0 HG23 THR A 661 6.586 2.846 -0.692 1.00 20.24 H new ATOM 1208 N LEU A 662 4.759 3.487 3.240 1.00 72.40 N ATOM 1209 CA LEU A 662 3.585 4.251 3.624 1.00 53.42 C ATOM 1210 C LEU A 662 3.957 5.639 4.119 1.00 61.55 C ATOM 1211 O LEU A 662 3.493 6.642 3.559 1.00 62.42 O ATOM 1212 CB LEU A 662 2.799 3.451 4.682 1.00 54.33 C ATOM 1213 CG LEU A 662 1.642 4.129 5.413 1.00 61.13 C ATOM 1214 CD1 LEU A 662 0.566 4.595 4.461 1.00 32.12 C ATOM 1215 CD2 LEU A 662 1.054 3.174 6.429 1.00 72.15 C ATOM 0 H LEU A 662 4.869 2.624 3.773 1.00 72.40 H new ATOM 0 HA LEU A 662 2.951 4.405 2.751 1.00 53.42 H new ATOM 0 HB2 LEU A 662 2.403 2.560 4.194 1.00 54.33 H new ATOM 0 HB3 LEU A 662 3.511 3.113 5.435 1.00 54.33 H new ATOM 0 HG LEU A 662 2.037 5.011 5.917 1.00 61.13 H new ATOM 0 HD11 LEU A 662 -0.237 5.071 5.024 1.00 32.12 H new ATOM 0 HD12 LEU A 662 0.989 5.311 3.756 1.00 32.12 H new ATOM 0 HD13 LEU A 662 0.168 3.740 3.915 1.00 32.12 H new ATOM 0 HD21 LEU A 662 0.229 3.660 6.950 1.00 72.15 H new ATOM 0 HD22 LEU A 662 0.688 2.282 5.921 1.00 72.15 H new ATOM 0 HD23 LEU A 662 1.821 2.892 7.150 1.00 72.15 H new ATOM 1227 N ARG A 663 4.812 5.707 5.116 1.00 74.11 N ATOM 1228 CA ARG A 663 5.209 6.999 5.654 1.00 51.55 C ATOM 1229 C ARG A 663 6.061 7.783 4.648 1.00 61.22 C ATOM 1230 O ARG A 663 6.010 9.012 4.597 1.00 42.00 O ATOM 1231 CB ARG A 663 5.911 6.854 7.008 1.00 11.31 C ATOM 1232 CG ARG A 663 7.157 6.005 6.979 1.00 55.01 C ATOM 1233 CD ARG A 663 7.739 5.835 8.365 1.00 64.42 C ATOM 1234 NE ARG A 663 8.085 7.114 8.998 1.00 42.33 N ATOM 1235 CZ ARG A 663 8.572 7.237 10.243 1.00 42.44 C ATOM 1236 NH1 ARG A 663 8.791 6.158 10.987 1.00 13.32 N ATOM 1237 NH2 ARG A 663 8.832 8.440 10.736 1.00 50.12 N ATOM 0 H ARG A 663 5.242 4.900 5.568 1.00 74.11 H new ATOM 0 HA ARG A 663 4.301 7.577 5.828 1.00 51.55 H new ATOM 0 HB2 ARG A 663 6.171 7.846 7.376 1.00 11.31 H new ATOM 0 HB3 ARG A 663 5.210 6.423 7.722 1.00 11.31 H new ATOM 0 HG2 ARG A 663 6.924 5.027 6.558 1.00 55.01 H new ATOM 0 HG3 ARG A 663 7.898 6.465 6.325 1.00 55.01 H new ATOM 0 HD2 ARG A 663 7.022 5.306 8.993 1.00 64.42 H new ATOM 0 HD3 ARG A 663 8.631 5.211 8.306 1.00 64.42 H new ATOM 0 HE ARG A 663 7.946 7.966 8.455 1.00 42.33 H new ATOM 0 HH11 ARG A 663 8.589 5.231 10.613 1.00 13.32 H new ATOM 0 HH12 ARG A 663 9.161 6.257 11.932 1.00 13.32 H new ATOM 0 HH21 ARG A 663 8.662 9.271 10.169 1.00 50.12 H new ATOM 0 HH22 ARG A 663 9.202 8.534 11.682 1.00 50.12 H new ATOM 1251 N ARG A 664 6.805 7.068 3.821 1.00 73.14 N ATOM 1252 CA ARG A 664 7.636 7.706 2.822 1.00 33.01 C ATOM 1253 C ARG A 664 6.795 8.283 1.706 1.00 62.40 C ATOM 1254 O ARG A 664 7.024 9.385 1.291 1.00 55.01 O ATOM 1255 CB ARG A 664 8.668 6.742 2.253 1.00 21.33 C ATOM 1256 CG ARG A 664 9.633 7.393 1.288 1.00 23.20 C ATOM 1257 CD ARG A 664 10.576 6.391 0.674 1.00 2.14 C ATOM 1258 NE ARG A 664 11.529 7.045 -0.219 1.00 33.13 N ATOM 1259 CZ ARG A 664 11.995 6.537 -1.356 1.00 63.13 C ATOM 1260 NH1 ARG A 664 11.549 5.368 -1.805 1.00 20.35 N ATOM 1261 NH2 ARG A 664 12.903 7.204 -2.051 1.00 51.53 N ATOM 0 H ARG A 664 6.849 6.049 3.824 1.00 73.14 H new ATOM 0 HA ARG A 664 8.167 8.519 3.317 1.00 33.01 H new ATOM 0 HB2 ARG A 664 9.231 6.299 3.074 1.00 21.33 H new ATOM 0 HB3 ARG A 664 8.152 5.928 1.744 1.00 21.33 H new ATOM 0 HG2 ARG A 664 9.074 7.896 0.499 1.00 23.20 H new ATOM 0 HG3 ARG A 664 10.207 8.159 1.810 1.00 23.20 H new ATOM 0 HD2 ARG A 664 11.114 5.863 1.461 1.00 2.14 H new ATOM 0 HD3 ARG A 664 10.008 5.644 0.120 1.00 2.14 H new ATOM 0 HE ARG A 664 11.865 7.969 0.052 1.00 33.13 H new ATOM 0 HH11 ARG A 664 10.844 4.854 -1.276 1.00 20.35 H new ATOM 0 HH12 ARG A 664 11.912 4.985 -2.678 1.00 20.35 H new ATOM 0 HH21 ARG A 664 13.243 8.105 -1.714 1.00 51.53 H new ATOM 0 HH22 ARG A 664 13.263 6.817 -2.924 1.00 51.53 H new ATOM 1275 N SER A 665 5.798 7.563 1.255 1.00 42.52 N ATOM 1276 CA SER A 665 5.001 8.023 0.131 1.00 30.31 C ATOM 1277 C SER A 665 4.206 9.274 0.488 1.00 70.34 C ATOM 1278 O SER A 665 4.026 10.152 -0.337 1.00 23.40 O ATOM 1279 CB SER A 665 4.092 6.913 -0.390 1.00 73.15 C ATOM 1280 OG SER A 665 4.858 5.799 -0.818 1.00 13.04 O ATOM 0 H SER A 665 5.516 6.662 1.641 1.00 42.52 H new ATOM 0 HA SER A 665 5.686 8.292 -0.673 1.00 30.31 H new ATOM 0 HB2 SER A 665 3.399 6.605 0.393 1.00 73.15 H new ATOM 0 HB3 SER A 665 3.490 7.287 -1.218 1.00 73.15 H new ATOM 0 HG SER A 665 5.118 5.263 -0.040 1.00 13.04 H new ATOM 1286 N MET A 666 3.772 9.368 1.723 1.00 72.51 N ATOM 1287 CA MET A 666 3.039 10.551 2.168 1.00 22.21 C ATOM 1288 C MET A 666 3.965 11.725 2.424 1.00 63.25 C ATOM 1289 O MET A 666 3.529 12.866 2.476 1.00 64.33 O ATOM 1290 CB MET A 666 2.176 10.253 3.381 1.00 34.42 C ATOM 1291 CG MET A 666 2.909 9.601 4.523 1.00 13.40 C ATOM 1292 SD MET A 666 1.843 9.266 5.898 1.00 52.33 S ATOM 1293 CE MET A 666 0.695 8.153 5.105 1.00 65.33 C ATOM 0 H MET A 666 3.907 8.653 2.438 1.00 72.51 H new ATOM 0 HA MET A 666 2.372 10.836 1.354 1.00 22.21 H new ATOM 0 HB2 MET A 666 1.734 11.184 3.734 1.00 34.42 H new ATOM 0 HB3 MET A 666 1.354 9.605 3.076 1.00 34.42 H new ATOM 0 HG2 MET A 666 3.359 8.670 4.179 1.00 13.40 H new ATOM 0 HG3 MET A 666 3.724 10.249 4.847 1.00 13.40 H new ATOM 0 HE1 MET A 666 0.052 7.696 5.858 1.00 65.33 H new ATOM 0 HE2 MET A 666 0.083 8.708 4.394 1.00 65.33 H new ATOM 0 HE3 MET A 666 1.248 7.375 4.579 1.00 65.33 H new ATOM 1303 N SER A 667 5.229 11.442 2.583 1.00 74.42 N ATOM 1304 CA SER A 667 6.206 12.473 2.774 1.00 65.05 C ATOM 1305 C SER A 667 6.803 12.878 1.414 1.00 72.32 C ATOM 1306 O SER A 667 6.720 14.036 0.999 1.00 14.51 O ATOM 1307 CB SER A 667 7.300 11.981 3.743 1.00 52.14 C ATOM 1308 OG SER A 667 8.272 12.981 3.994 1.00 43.12 O ATOM 0 H SER A 667 5.607 10.495 2.584 1.00 74.42 H new ATOM 0 HA SER A 667 5.735 13.352 3.214 1.00 65.05 H new ATOM 0 HB2 SER A 667 6.841 11.676 4.684 1.00 52.14 H new ATOM 0 HB3 SER A 667 7.786 11.099 3.325 1.00 52.14 H new ATOM 0 HG SER A 667 8.947 12.633 4.613 1.00 43.12 H new ATOM 1314 N THR A 668 7.338 11.896 0.707 1.00 30.13 N ATOM 1315 CA THR A 668 8.024 12.110 -0.543 1.00 21.14 C ATOM 1316 C THR A 668 7.058 12.493 -1.666 1.00 35.54 C ATOM 1317 O THR A 668 7.280 13.463 -2.392 1.00 42.11 O ATOM 1318 CB THR A 668 8.787 10.840 -0.933 1.00 63.22 C ATOM 1319 OG1 THR A 668 9.649 10.457 0.151 1.00 63.30 O ATOM 1320 CG2 THR A 668 9.618 11.044 -2.195 1.00 12.21 C ATOM 0 H THR A 668 7.304 10.918 0.994 1.00 30.13 H new ATOM 0 HA THR A 668 8.718 12.939 -0.404 1.00 21.14 H new ATOM 0 HB THR A 668 8.058 10.056 -1.137 1.00 63.22 H new ATOM 0 HG1 THR A 668 9.120 10.023 0.853 1.00 63.30 H new ATOM 0 HG21 THR A 668 10.144 10.120 -2.438 1.00 12.21 H new ATOM 0 HG22 THR A 668 8.963 11.317 -3.022 1.00 12.21 H new ATOM 0 HG23 THR A 668 10.343 11.841 -2.028 1.00 12.21 H new ATOM 1328 N GLU A 669 5.989 11.747 -1.798 1.00 3.33 N ATOM 1329 CA GLU A 669 5.041 12.014 -2.869 1.00 55.54 C ATOM 1330 C GLU A 669 3.881 12.863 -2.393 1.00 62.52 C ATOM 1331 O GLU A 669 3.138 13.423 -3.203 1.00 44.41 O ATOM 1332 CB GLU A 669 4.554 10.724 -3.502 1.00 41.54 C ATOM 1333 CG GLU A 669 5.664 9.915 -4.138 1.00 10.34 C ATOM 1334 CD GLU A 669 5.162 8.658 -4.778 1.00 34.14 C ATOM 1335 OE1 GLU A 669 4.586 8.740 -5.891 1.00 31.20 O ATOM 1336 OE2 GLU A 669 5.359 7.572 -4.202 1.00 42.24 O ATOM 0 H GLU A 669 5.749 10.962 -1.193 1.00 3.33 H new ATOM 0 HA GLU A 669 5.567 12.585 -3.634 1.00 55.54 H new ATOM 0 HB2 GLU A 669 4.061 10.118 -2.742 1.00 41.54 H new ATOM 0 HB3 GLU A 669 3.805 10.958 -4.258 1.00 41.54 H new ATOM 0 HG2 GLU A 669 6.170 10.524 -4.888 1.00 10.34 H new ATOM 0 HG3 GLU A 669 6.405 9.662 -3.380 1.00 10.34 H new ATOM 1343 N GLY A 670 3.734 12.956 -1.079 1.00 1.01 N ATOM 1344 CA GLY A 670 2.683 13.759 -0.493 1.00 43.04 C ATOM 1345 C GLY A 670 2.854 15.214 -0.843 1.00 43.41 C ATOM 1346 O GLY A 670 2.083 15.769 -1.663 1.00 14.21 O ATOM 0 H GLY A 670 4.333 12.483 -0.402 1.00 1.01 H new ATOM 0 HA2 GLY A 670 1.713 13.408 -0.846 1.00 43.04 H new ATOM 0 HA3 GLY A 670 2.690 13.639 0.590 1.00 43.04 H new ATOM 1350 N ASN A 671 3.861 15.839 -0.258 1.00 62.23 N ATOM 1351 CA ASN A 671 4.179 17.213 -0.591 1.00 55.51 C ATOM 1352 C ASN A 671 4.944 17.220 -1.894 1.00 61.23 C ATOM 1353 O ASN A 671 6.177 17.209 -1.923 1.00 3.24 O ATOM 1354 CB ASN A 671 4.948 17.924 0.544 1.00 61.20 C ATOM 1355 CG ASN A 671 5.331 19.366 0.223 1.00 2.43 C ATOM 1356 OD1 ASN A 671 6.424 19.637 -0.286 1.00 41.15 O ATOM 1357 ND2 ASN A 671 4.454 20.292 0.519 1.00 65.25 N ATOM 0 H ASN A 671 4.468 15.419 0.446 1.00 62.23 H new ATOM 0 HA ASN A 671 3.256 17.781 -0.711 1.00 55.51 H new ATOM 0 HB2 ASN A 671 4.336 17.913 1.446 1.00 61.20 H new ATOM 0 HB3 ASN A 671 5.853 17.359 0.766 1.00 61.20 H new ATOM 0 HD21 ASN A 671 4.664 21.272 0.330 1.00 65.25 H new ATOM 0 HD22 ASN A 671 3.561 20.033 0.939 1.00 65.25 H new ATOM 1364 N LYS A 672 4.181 17.096 -2.950 1.00 54.33 N ATOM 1365 CA LYS A 672 4.651 17.002 -4.294 1.00 23.41 C ATOM 1366 C LYS A 672 3.438 16.984 -5.210 1.00 40.42 C ATOM 1367 O LYS A 672 3.311 17.796 -6.124 1.00 61.33 O ATOM 1368 CB LYS A 672 5.407 15.690 -4.456 1.00 22.42 C ATOM 1369 CG LYS A 672 5.908 15.422 -5.840 1.00 32.22 C ATOM 1370 CD LYS A 672 6.529 14.054 -5.900 1.00 75.14 C ATOM 1371 CE LYS A 672 7.054 13.750 -7.282 1.00 51.42 C ATOM 1372 NZ LYS A 672 7.621 12.387 -7.374 1.00 1.13 N ATOM 0 H LYS A 672 3.164 17.057 -2.884 1.00 54.33 H new ATOM 0 HA LYS A 672 5.305 17.840 -4.536 1.00 23.41 H new ATOM 0 HB2 LYS A 672 6.255 15.688 -3.771 1.00 22.42 H new ATOM 0 HB3 LYS A 672 4.753 14.871 -4.156 1.00 22.42 H new ATOM 0 HG2 LYS A 672 5.087 15.490 -6.554 1.00 32.22 H new ATOM 0 HG3 LYS A 672 6.641 16.177 -6.124 1.00 32.22 H new ATOM 0 HD2 LYS A 672 7.342 13.990 -5.177 1.00 75.14 H new ATOM 0 HD3 LYS A 672 5.790 13.304 -5.616 1.00 75.14 H new ATOM 0 HE2 LYS A 672 6.247 13.856 -8.007 1.00 51.42 H new ATOM 0 HE3 LYS A 672 7.819 14.479 -7.547 1.00 51.42 H new ATOM 0 HZ1 LYS A 672 7.970 12.220 -8.340 1.00 1.13 H new ATOM 0 HZ2 LYS A 672 8.408 12.292 -6.701 1.00 1.13 H new ATOM 0 HZ3 LYS A 672 6.885 11.689 -7.147 1.00 1.13 H new ATOM 1386 N ARG A 673 2.539 16.043 -4.946 1.00 1.34 N ATOM 1387 CA ARG A 673 1.327 15.907 -5.733 1.00 44.12 C ATOM 1388 C ARG A 673 0.274 16.858 -5.214 1.00 54.32 C ATOM 1389 O ARG A 673 -0.454 17.495 -5.977 1.00 34.24 O ATOM 1390 CB ARG A 673 0.762 14.489 -5.641 1.00 44.12 C ATOM 1391 CG ARG A 673 1.688 13.373 -6.079 1.00 44.30 C ATOM 1392 CD ARG A 673 0.953 12.050 -6.021 1.00 73.13 C ATOM 1393 NE ARG A 673 1.797 10.907 -6.366 1.00 1.33 N ATOM 1394 CZ ARG A 673 1.350 9.789 -6.957 1.00 1.21 C ATOM 1395 NH1 ARG A 673 0.104 9.737 -7.449 1.00 52.02 N ATOM 1396 NH2 ARG A 673 2.152 8.740 -7.076 1.00 4.03 N ATOM 0 H ARG A 673 2.630 15.363 -4.191 1.00 1.34 H new ATOM 0 HA ARG A 673 1.581 16.131 -6.769 1.00 44.12 H new ATOM 0 HB2 ARG A 673 0.466 14.304 -4.608 1.00 44.12 H new ATOM 0 HB3 ARG A 673 -0.144 14.441 -6.246 1.00 44.12 H new ATOM 0 HG2 ARG A 673 2.044 13.559 -7.092 1.00 44.30 H new ATOM 0 HG3 ARG A 673 2.566 13.341 -5.434 1.00 44.30 H new ATOM 0 HD2 ARG A 673 0.552 11.908 -5.017 1.00 73.13 H new ATOM 0 HD3 ARG A 673 0.102 12.084 -6.702 1.00 73.13 H new ATOM 0 HE ARG A 673 2.791 10.964 -6.143 1.00 1.33 H new ATOM 0 HH11 ARG A 673 -0.508 10.550 -7.375 1.00 52.02 H new ATOM 0 HH12 ARG A 673 -0.232 8.885 -7.898 1.00 52.02 H new ATOM 0 HH21 ARG A 673 3.106 8.784 -6.719 1.00 4.03 H new ATOM 0 HH22 ARG A 673 1.815 7.888 -7.525 1.00 4.03 H new ATOM 1410 N GLY A 674 0.197 16.944 -3.910 1.00 32.15 N ATOM 1411 CA GLY A 674 -0.813 17.754 -3.279 1.00 15.33 C ATOM 1412 C GLY A 674 -1.791 16.885 -2.537 1.00 44.11 C ATOM 1413 O GLY A 674 -2.440 17.317 -1.592 1.00 23.55 O ATOM 0 H GLY A 674 0.823 16.462 -3.264 1.00 32.15 H new ATOM 0 HA2 GLY A 674 -0.346 18.458 -2.590 1.00 15.33 H new ATOM 0 HA3 GLY A 674 -1.338 18.344 -4.031 1.00 15.33 H new ATOM 1417 N MET A 675 -1.890 15.644 -2.967 1.00 14.41 N ATOM 1418 CA MET A 675 -2.731 14.672 -2.312 1.00 65.30 C ATOM 1419 C MET A 675 -2.100 13.306 -2.404 1.00 60.23 C ATOM 1420 O MET A 675 -1.316 13.031 -3.314 1.00 43.32 O ATOM 1421 CB MET A 675 -4.170 14.633 -2.880 1.00 14.24 C ATOM 1422 CG MET A 675 -4.268 14.228 -4.334 1.00 64.54 C ATOM 1423 SD MET A 675 -5.972 14.108 -4.902 1.00 2.12 S ATOM 1424 CE MET A 675 -5.701 13.664 -6.609 1.00 52.40 C ATOM 0 H MET A 675 -1.389 15.284 -3.780 1.00 14.41 H new ATOM 0 HA MET A 675 -2.816 14.977 -1.269 1.00 65.30 H new ATOM 0 HB2 MET A 675 -4.762 13.939 -2.284 1.00 14.24 H new ATOM 0 HB3 MET A 675 -4.619 15.619 -2.761 1.00 14.24 H new ATOM 0 HG2 MET A 675 -3.734 14.954 -4.947 1.00 64.54 H new ATOM 0 HG3 MET A 675 -3.773 13.267 -4.474 1.00 64.54 H new ATOM 0 HE1 MET A 675 -6.661 13.549 -7.112 1.00 52.40 H new ATOM 0 HE2 MET A 675 -5.125 14.447 -7.102 1.00 52.40 H new ATOM 0 HE3 MET A 675 -5.151 12.724 -6.658 1.00 52.40 H new ATOM 1434 N ILE A 676 -2.429 12.488 -1.464 1.00 75.34 N ATOM 1435 CA ILE A 676 -1.972 11.135 -1.386 1.00 13.22 C ATOM 1436 C ILE A 676 -3.135 10.186 -1.625 1.00 44.54 C ATOM 1437 O ILE A 676 -4.238 10.421 -1.166 1.00 22.44 O ATOM 1438 CB ILE A 676 -1.282 10.831 -0.008 1.00 20.45 C ATOM 1439 CG1 ILE A 676 -1.115 9.311 0.185 1.00 61.41 C ATOM 1440 CG2 ILE A 676 -2.058 11.443 1.111 1.00 24.24 C ATOM 1441 CD1 ILE A 676 -0.347 8.884 1.387 1.00 45.21 C ATOM 0 H ILE A 676 -3.048 12.750 -0.697 1.00 75.34 H new ATOM 0 HA ILE A 676 -1.220 10.986 -2.161 1.00 13.22 H new ATOM 0 HB ILE A 676 -0.288 11.278 -0.005 1.00 20.45 H new ATOM 0 HG12 ILE A 676 -2.106 8.860 0.233 1.00 61.41 H new ATOM 0 HG13 ILE A 676 -0.623 8.905 -0.699 1.00 61.41 H new ATOM 0 HG21 ILE A 676 -1.566 11.223 2.058 1.00 24.24 H new ATOM 0 HG22 ILE A 676 -2.108 12.523 0.971 1.00 24.24 H new ATOM 0 HG23 ILE A 676 -3.067 11.031 1.122 1.00 24.24 H new ATOM 0 HD11 ILE A 676 -0.295 7.796 1.418 1.00 45.21 H new ATOM 0 HD12 ILE A 676 0.662 9.294 1.339 1.00 45.21 H new ATOM 0 HD13 ILE A 676 -0.845 9.249 2.285 1.00 45.21 H new ATOM 1453 N GLN A 677 -2.885 9.149 -2.352 1.00 64.43 N ATOM 1454 CA GLN A 677 -3.897 8.171 -2.663 1.00 20.21 C ATOM 1455 C GLN A 677 -3.728 6.936 -1.804 1.00 71.12 C ATOM 1456 O GLN A 677 -2.632 6.399 -1.690 1.00 71.42 O ATOM 1457 CB GLN A 677 -3.871 7.802 -4.145 1.00 64.35 C ATOM 1458 CG GLN A 677 -4.902 6.755 -4.518 1.00 72.30 C ATOM 1459 CD GLN A 677 -5.045 6.528 -6.008 1.00 54.53 C ATOM 1460 OE1 GLN A 677 -5.349 5.427 -6.445 1.00 33.52 O ATOM 1461 NE2 GLN A 677 -4.888 7.559 -6.784 1.00 12.44 N ATOM 0 H GLN A 677 -1.970 8.946 -2.754 1.00 64.43 H new ATOM 0 HA GLN A 677 -4.869 8.614 -2.444 1.00 20.21 H new ATOM 0 HB2 GLN A 677 -4.043 8.699 -4.739 1.00 64.35 H new ATOM 0 HB3 GLN A 677 -2.878 7.433 -4.404 1.00 64.35 H new ATOM 0 HG2 GLN A 677 -4.634 5.812 -4.042 1.00 72.30 H new ATOM 0 HG3 GLN A 677 -5.869 7.053 -4.113 1.00 72.30 H new ATOM 0 HE21 GLN A 677 -4.634 8.463 -6.386 1.00 12.44 H new ATOM 0 HE22 GLN A 677 -5.019 7.464 -7.791 1.00 12.44 H new ATOM 1470 N LEU A 678 -4.799 6.512 -1.194 1.00 32.44 N ATOM 1471 CA LEU A 678 -4.796 5.343 -0.356 1.00 2.25 C ATOM 1472 C LEU A 678 -5.811 4.353 -0.864 1.00 31.11 C ATOM 1473 O LEU A 678 -6.985 4.694 -1.027 1.00 41.13 O ATOM 1474 CB LEU A 678 -5.174 5.681 1.115 1.00 31.12 C ATOM 1475 CG LEU A 678 -4.293 6.666 1.899 1.00 61.54 C ATOM 1476 CD1 LEU A 678 -2.843 6.235 1.885 1.00 21.41 C ATOM 1477 CD2 LEU A 678 -4.472 8.103 1.417 1.00 63.30 C ATOM 0 H LEU A 678 -5.707 6.971 -1.264 1.00 32.44 H new ATOM 0 HA LEU A 678 -3.786 4.934 -0.384 1.00 2.25 H new ATOM 0 HB2 LEU A 678 -6.189 6.077 1.112 1.00 31.12 H new ATOM 0 HB3 LEU A 678 -5.199 4.745 1.673 1.00 31.12 H new ATOM 0 HG LEU A 678 -4.626 6.647 2.937 1.00 61.54 H new ATOM 0 HD11 LEU A 678 -2.245 6.952 2.448 1.00 21.41 H new ATOM 0 HD12 LEU A 678 -2.752 5.249 2.341 1.00 21.41 H new ATOM 0 HD13 LEU A 678 -2.486 6.193 0.856 1.00 21.41 H new ATOM 0 HD21 LEU A 678 -3.830 8.765 1.999 1.00 63.30 H new ATOM 0 HD22 LEU A 678 -4.201 8.170 0.363 1.00 63.30 H new ATOM 0 HD23 LEU A 678 -5.512 8.402 1.544 1.00 63.30 H new ATOM 1489 N ILE A 679 -5.383 3.168 -1.141 1.00 71.52 N ATOM 1490 CA ILE A 679 -6.305 2.119 -1.452 1.00 2.41 C ATOM 1491 C ILE A 679 -6.361 1.238 -0.251 1.00 64.31 C ATOM 1492 O ILE A 679 -5.336 0.698 0.179 1.00 2.44 O ATOM 1493 CB ILE A 679 -5.959 1.242 -2.719 1.00 53.10 C ATOM 1494 CG1 ILE A 679 -5.941 2.053 -4.027 1.00 63.20 C ATOM 1495 CG2 ILE A 679 -6.945 0.090 -2.857 1.00 73.13 C ATOM 1496 CD1 ILE A 679 -4.799 3.009 -4.154 1.00 32.42 C ATOM 0 H ILE A 679 -4.400 2.897 -1.160 1.00 71.52 H new ATOM 0 HA ILE A 679 -7.253 2.593 -1.706 1.00 2.41 H new ATOM 0 HB ILE A 679 -4.952 0.858 -2.556 1.00 53.10 H new ATOM 0 HG12 ILE A 679 -5.912 1.360 -4.868 1.00 63.20 H new ATOM 0 HG13 ILE A 679 -6.874 2.611 -4.106 1.00 63.20 H new ATOM 0 HG21 ILE A 679 -6.691 -0.503 -3.735 1.00 73.13 H new ATOM 0 HG22 ILE A 679 -6.897 -0.539 -1.968 1.00 73.13 H new ATOM 0 HG23 ILE A 679 -7.954 0.486 -2.967 1.00 73.13 H new ATOM 0 HD11 ILE A 679 -4.869 3.535 -5.106 1.00 32.42 H new ATOM 0 HD12 ILE A 679 -4.836 3.730 -3.337 1.00 32.42 H new ATOM 0 HD13 ILE A 679 -3.858 2.460 -4.111 1.00 32.42 H new ATOM 1508 N VAL A 680 -7.502 1.123 0.304 1.00 64.31 N ATOM 1509 CA VAL A 680 -7.702 0.327 1.466 1.00 62.51 C ATOM 1510 C VAL A 680 -8.762 -0.706 1.169 1.00 23.12 C ATOM 1511 O VAL A 680 -9.513 -0.570 0.183 1.00 32.30 O ATOM 1512 CB VAL A 680 -8.094 1.193 2.700 1.00 63.50 C ATOM 1513 CG1 VAL A 680 -6.946 2.087 3.122 1.00 3.30 C ATOM 1514 CG2 VAL A 680 -9.336 2.031 2.432 1.00 51.32 C ATOM 0 H VAL A 680 -8.346 1.585 -0.036 1.00 64.31 H new ATOM 0 HA VAL A 680 -6.766 -0.169 1.721 1.00 62.51 H new ATOM 0 HB VAL A 680 -8.322 0.504 3.513 1.00 63.50 H new ATOM 0 HG11 VAL A 680 -7.246 2.681 3.985 1.00 3.30 H new ATOM 0 HG12 VAL A 680 -6.085 1.473 3.385 1.00 3.30 H new ATOM 0 HG13 VAL A 680 -6.680 2.751 2.299 1.00 3.30 H new ATOM 0 HG21 VAL A 680 -9.576 2.620 3.317 1.00 51.32 H new ATOM 0 HG22 VAL A 680 -9.150 2.699 1.591 1.00 51.32 H new ATOM 0 HG23 VAL A 680 -10.174 1.375 2.195 1.00 51.32 H new ATOM 1524 N ALA A 681 -8.832 -1.715 1.966 1.00 72.23 N ATOM 1525 CA ALA A 681 -9.749 -2.781 1.728 1.00 3.14 C ATOM 1526 C ALA A 681 -10.824 -2.774 2.768 1.00 12.52 C ATOM 1527 O ALA A 681 -10.554 -2.856 3.965 1.00 15.24 O ATOM 1528 CB ALA A 681 -9.032 -4.113 1.730 1.00 4.13 C ATOM 0 H ALA A 681 -8.257 -1.827 2.801 1.00 72.23 H new ATOM 0 HA ALA A 681 -10.201 -2.635 0.747 1.00 3.14 H new ATOM 0 HB1 ALA A 681 -9.750 -4.913 1.547 1.00 4.13 H new ATOM 0 HB2 ALA A 681 -8.274 -4.119 0.947 1.00 4.13 H new ATOM 0 HB3 ALA A 681 -8.555 -4.268 2.698 1.00 4.13 H new ATOM 1534 N ARG A 682 -12.038 -2.748 2.332 1.00 33.40 N ATOM 1535 CA ARG A 682 -13.140 -2.666 3.227 1.00 32.52 C ATOM 1536 C ARG A 682 -13.862 -3.972 3.272 1.00 41.14 C ATOM 1537 O ARG A 682 -14.360 -4.460 2.263 1.00 34.42 O ATOM 1538 CB ARG A 682 -14.082 -1.528 2.796 1.00 44.14 C ATOM 1539 CG ARG A 682 -15.418 -1.461 3.536 1.00 21.03 C ATOM 1540 CD ARG A 682 -15.236 -1.416 5.038 1.00 34.42 C ATOM 1541 NE ARG A 682 -16.509 -1.258 5.736 1.00 74.31 N ATOM 1542 CZ ARG A 682 -16.735 -1.596 7.012 1.00 44.32 C ATOM 1543 NH1 ARG A 682 -15.773 -2.166 7.733 1.00 64.22 N ATOM 1544 NH2 ARG A 682 -17.920 -1.365 7.556 1.00 34.41 N ATOM 0 H ARG A 682 -12.293 -2.783 1.345 1.00 33.40 H new ATOM 0 HA ARG A 682 -12.774 -2.446 4.230 1.00 32.52 H new ATOM 0 HB2 ARG A 682 -13.563 -0.579 2.933 1.00 44.14 H new ATOM 0 HB3 ARG A 682 -14.282 -1.631 1.730 1.00 44.14 H new ATOM 0 HG2 ARG A 682 -15.968 -0.578 3.211 1.00 21.03 H new ATOM 0 HG3 ARG A 682 -16.023 -2.328 3.270 1.00 21.03 H new ATOM 0 HD2 ARG A 682 -14.750 -2.332 5.372 1.00 34.42 H new ATOM 0 HD3 ARG A 682 -14.574 -0.590 5.299 1.00 34.42 H new ATOM 0 HE ARG A 682 -17.287 -0.859 5.211 1.00 74.31 H new ATOM 0 HH11 ARG A 682 -14.861 -2.347 7.314 1.00 64.22 H new ATOM 0 HH12 ARG A 682 -15.948 -2.422 8.705 1.00 64.22 H new ATOM 0 HH21 ARG A 682 -18.659 -0.930 7.003 1.00 34.41 H new ATOM 0 HH22 ARG A 682 -18.094 -1.622 8.528 1.00 34.41 H new ATOM 1839 N GLU B 780 3.841 -3.396 15.595 1.00 64.10 N ATOM 1840 CA GLU B 780 4.353 -2.546 14.575 1.00 15.54 C ATOM 1841 C GLU B 780 3.362 -1.452 14.325 1.00 22.24 C ATOM 1842 O GLU B 780 2.421 -1.624 13.589 1.00 33.43 O ATOM 1843 CB GLU B 780 4.629 -3.345 13.309 1.00 72.13 C ATOM 1844 CG GLU B 780 5.596 -4.479 13.547 1.00 53.12 C ATOM 1845 CD GLU B 780 5.926 -5.270 12.305 1.00 33.52 C ATOM 1846 OE1 GLU B 780 5.143 -6.184 11.927 1.00 43.02 O ATOM 1847 OE2 GLU B 780 6.986 -5.001 11.695 1.00 73.21 O ATOM 0 HA GLU B 780 5.298 -2.106 14.892 1.00 15.54 H new ATOM 0 HB2 GLU B 780 3.691 -3.745 12.923 1.00 72.13 H new ATOM 0 HB3 GLU B 780 5.032 -2.681 12.544 1.00 72.13 H new ATOM 0 HG2 GLU B 780 6.518 -4.076 13.965 1.00 53.12 H new ATOM 0 HG3 GLU B 780 5.175 -5.152 14.294 1.00 53.12 H new ATOM 1854 N GLU B 781 3.558 -0.353 14.981 1.00 43.42 N ATOM 1855 CA GLU B 781 2.627 0.770 14.912 1.00 72.21 C ATOM 1856 C GLU B 781 3.274 2.012 14.358 1.00 4.22 C ATOM 1857 O GLU B 781 4.419 2.340 14.696 1.00 44.33 O ATOM 1858 CB GLU B 781 2.010 1.032 16.276 1.00 75.30 C ATOM 1859 CG GLU B 781 1.076 -0.063 16.716 1.00 53.23 C ATOM 1860 CD GLU B 781 0.647 0.025 18.144 1.00 12.44 C ATOM 1861 OE1 GLU B 781 1.502 -0.031 19.031 1.00 1.33 O ATOM 1862 OE2 GLU B 781 -0.560 0.171 18.397 1.00 3.34 O ATOM 0 H GLU B 781 4.364 -0.191 15.585 1.00 43.42 H new ATOM 0 HA GLU B 781 1.832 0.496 14.218 1.00 72.21 H new ATOM 0 HB2 GLU B 781 2.805 1.143 17.014 1.00 75.30 H new ATOM 0 HB3 GLU B 781 1.467 1.977 16.248 1.00 75.30 H new ATOM 0 HG2 GLU B 781 0.190 -0.044 16.082 1.00 53.23 H new ATOM 0 HG3 GLU B 781 1.563 -1.025 16.555 1.00 53.23 H new ATOM 1869 N LEU B 782 2.555 2.678 13.489 1.00 13.11 N ATOM 1870 CA LEU B 782 2.999 3.870 12.853 1.00 25.42 C ATOM 1871 C LEU B 782 1.897 4.901 12.847 1.00 33.44 C ATOM 1872 O LEU B 782 0.757 4.588 12.531 1.00 42.01 O ATOM 1873 CB LEU B 782 3.346 3.526 11.421 1.00 60.04 C ATOM 1874 CG LEU B 782 3.710 4.658 10.498 1.00 10.44 C ATOM 1875 CD1 LEU B 782 4.970 5.329 10.962 1.00 34.22 C ATOM 1876 CD2 LEU B 782 3.860 4.128 9.102 1.00 52.44 C ATOM 0 H LEU B 782 1.619 2.388 13.204 1.00 13.11 H new ATOM 0 HA LEU B 782 3.860 4.275 13.386 1.00 25.42 H new ATOM 0 HB2 LEU B 782 4.181 2.825 11.437 1.00 60.04 H new ATOM 0 HB3 LEU B 782 2.496 3.000 10.987 1.00 60.04 H new ATOM 0 HG LEU B 782 2.917 5.406 10.507 1.00 10.44 H new ATOM 0 HD11 LEU B 782 5.219 6.145 10.283 1.00 34.22 H new ATOM 0 HD12 LEU B 782 4.823 5.725 11.967 1.00 34.22 H new ATOM 0 HD13 LEU B 782 5.785 4.605 10.973 1.00 34.22 H new ATOM 0 HD21 LEU B 782 4.124 4.944 8.429 1.00 52.44 H new ATOM 0 HD22 LEU B 782 4.646 3.373 9.082 1.00 52.44 H new ATOM 0 HD23 LEU B 782 2.919 3.681 8.779 1.00 52.44 H new ATOM 1888 N ILE B 783 2.211 6.094 13.223 1.00 20.43 N ATOM 1889 CA ILE B 783 1.268 7.172 13.058 1.00 2.14 C ATOM 1890 C ILE B 783 1.596 7.887 11.779 1.00 52.10 C ATOM 1891 O ILE B 783 2.723 8.376 11.594 1.00 50.25 O ATOM 1892 CB ILE B 783 1.205 8.199 14.244 1.00 4.32 C ATOM 1893 CG1 ILE B 783 0.684 7.547 15.551 1.00 5.14 C ATOM 1894 CG2 ILE B 783 0.313 9.402 13.867 1.00 74.04 C ATOM 1895 CD1 ILE B 783 1.590 6.493 16.165 1.00 3.41 C ATOM 0 H ILE B 783 3.102 6.357 13.644 1.00 20.43 H new ATOM 0 HA ILE B 783 0.278 6.717 13.037 1.00 2.14 H new ATOM 0 HB ILE B 783 2.223 8.543 14.427 1.00 4.32 H new ATOM 0 HG12 ILE B 783 0.520 8.333 16.288 1.00 5.14 H new ATOM 0 HG13 ILE B 783 -0.286 7.093 15.348 1.00 5.14 H new ATOM 0 HG21 ILE B 783 0.279 10.105 14.699 1.00 74.04 H new ATOM 0 HG22 ILE B 783 0.725 9.899 12.989 1.00 74.04 H new ATOM 0 HG23 ILE B 783 -0.696 9.052 13.647 1.00 74.04 H new ATOM 0 HD11 ILE B 783 1.131 6.103 17.073 1.00 3.41 H new ATOM 0 HD12 ILE B 783 1.736 5.680 15.454 1.00 3.41 H new ATOM 0 HD13 ILE B 783 2.554 6.939 16.409 1.00 3.41 H new ATOM 1907 N ILE B 784 0.653 7.935 10.902 1.00 12.03 N ATOM 1908 CA ILE B 784 0.837 8.547 9.653 1.00 11.13 C ATOM 1909 C ILE B 784 0.278 9.934 9.652 1.00 34.24 C ATOM 1910 O ILE B 784 1.064 10.869 9.866 1.00 38.96 O ATOM 1911 CB ILE B 784 0.327 7.686 8.475 1.00 12.43 C ATOM 1912 CG1 ILE B 784 -1.081 7.095 8.748 1.00 34.41 C ATOM 1913 CG2 ILE B 784 1.341 6.592 8.151 1.00 14.54 C ATOM 1914 CD1 ILE B 784 -1.637 6.247 7.623 1.00 1.00 C ATOM 1915 OXT ILE B 784 -0.929 10.108 9.465 1.00 38.96 O ATOM 0 H ILE B 784 -0.277 7.541 11.045 1.00 12.03 H new ATOM 0 HA ILE B 784 1.911 8.632 9.489 1.00 11.13 H new ATOM 0 HB ILE B 784 0.223 8.334 7.605 1.00 12.43 H new ATOM 0 HG12 ILE B 784 -1.038 6.490 9.654 1.00 34.41 H new ATOM 0 HG13 ILE B 784 -1.773 7.914 8.944 1.00 34.41 H new ATOM 0 HG21 ILE B 784 0.974 5.990 7.320 1.00 14.54 H new ATOM 0 HG22 ILE B 784 2.292 7.048 7.876 1.00 14.54 H new ATOM 0 HG23 ILE B 784 1.482 5.956 9.025 1.00 14.54 H new ATOM 0 HD11 ILE B 784 -2.624 5.876 7.901 1.00 1.00 H new ATOM 0 HD12 ILE B 784 -1.717 6.850 6.718 1.00 1.00 H new ATOM 0 HD13 ILE B 784 -0.971 5.404 7.439 1.00 1.00 H new