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= -0.511 K(o=-0.51,f=-4!) USER MOD Single : A 596 SER OG : rot -70:sc= 1.12 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= -0.381 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 610 SER OG : rot -170:sc= 0 USER MOD Single : A 622 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.01) USER MOD Single : A 623 SER OG : rot 180:sc= 0 USER MOD Single : A 626 ASN : amide:sc=-0.00428 X(o=-0.0043,f=0) USER MOD Single : A 631 SER OG : rot 180:sc= 0.731 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.14) USER MOD Single : A 641 GLN : amide:sc= 0.465 K(o=0.47,f=-1.4) USER MOD Single : A 646 ASN : amide:sc= -3.02! C(o=-3!,f=-15!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ -131:sc= -0.784 (180deg=-2.94!) USER MOD Single : A 655 ASN : amide:sc= -2.03! C(o=-2!,f=-6.1!) USER MOD Single : A 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 659 MET CE :methyl -171:sc= -2.49 (180deg=-2.73) USER MOD Single : A 661 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 665 SER OG : rot 84:sc= 1.25 USER MOD Single : A 666 MET CE :methyl -163:sc= -3.16 (180deg=-4.27!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 80:sc= 0.0772 USER MOD Single : A 671 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0009) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl 161:sc= -0.145 (180deg=-0.586) USER MOD Single : A 677 GLN : amide:sc= 0.732 K(o=0.73,f=0) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.493 -5.494 -0.800 1.00 3.02 N ATOM 79 CA GLU A 585 -13.552 -4.474 -1.809 1.00 4.11 C ATOM 80 C GLU A 585 -12.454 -3.473 -1.548 1.00 31.34 C ATOM 81 O GLU A 585 -11.885 -3.437 -0.454 1.00 33.54 O ATOM 82 CB GLU A 585 -14.907 -3.754 -1.802 1.00 40.11 C ATOM 83 CG GLU A 585 -15.203 -2.993 -0.515 1.00 62.11 C ATOM 84 CD GLU A 585 -16.470 -2.191 -0.601 1.00 73.51 C ATOM 85 OE1 GLU A 585 -16.468 -1.137 -1.277 1.00 1.12 O ATOM 86 OE2 GLU A 585 -17.490 -2.589 -0.008 1.00 21.45 O ATOM 0 HA GLU A 585 -13.425 -4.942 -2.785 1.00 4.11 H new ATOM 0 HB2 GLU A 585 -14.940 -3.057 -2.639 1.00 40.11 H new ATOM 0 HB3 GLU A 585 -15.696 -4.487 -1.967 1.00 40.11 H new ATOM 0 HG2 GLU A 585 -15.279 -3.699 0.312 1.00 62.11 H new ATOM 0 HG3 GLU A 585 -14.370 -2.327 -0.290 1.00 62.11 H new ATOM 93 N PHE A 586 -12.147 -2.684 -2.529 1.00 54.34 N ATOM 94 CA PHE A 586 -11.121 -1.697 -2.395 1.00 42.42 C ATOM 95 C PHE A 586 -11.708 -0.328 -2.306 1.00 71.52 C ATOM 96 O PHE A 586 -12.554 0.056 -3.122 1.00 33.33 O ATOM 97 CB PHE A 586 -10.134 -1.778 -3.548 1.00 54.10 C ATOM 98 CG PHE A 586 -9.371 -3.046 -3.537 1.00 34.42 C ATOM 99 CD1 PHE A 586 -8.271 -3.171 -2.726 1.00 14.22 C ATOM 100 CD2 PHE A 586 -9.760 -4.122 -4.310 1.00 24.13 C ATOM 101 CE1 PHE A 586 -7.563 -4.335 -2.680 1.00 54.32 C ATOM 102 CE2 PHE A 586 -9.055 -5.301 -4.268 1.00 73.41 C ATOM 103 CZ PHE A 586 -7.951 -5.408 -3.449 1.00 3.21 C ATOM 0 H PHE A 586 -12.599 -2.705 -3.443 1.00 54.34 H new ATOM 0 HA PHE A 586 -10.582 -1.900 -1.470 1.00 42.42 H new ATOM 0 HB2 PHE A 586 -10.671 -1.686 -4.492 1.00 54.10 H new ATOM 0 HB3 PHE A 586 -9.442 -0.938 -3.492 1.00 54.10 H new ATOM 0 HD1 PHE A 586 -7.962 -2.335 -2.116 1.00 14.22 H new ATOM 0 HD2 PHE A 586 -10.624 -4.037 -4.952 1.00 24.13 H new ATOM 0 HE1 PHE A 586 -6.697 -4.415 -2.040 1.00 54.32 H new ATOM 0 HE2 PHE A 586 -9.364 -6.140 -4.874 1.00 73.41 H new ATOM 0 HZ PHE A 586 -7.392 -6.331 -3.411 1.00 3.21 H new ATOM 113 N LEU A 587 -11.296 0.394 -1.328 1.00 51.44 N ATOM 114 CA LEU A 587 -11.717 1.740 -1.161 1.00 40.42 C ATOM 115 C LEU A 587 -10.560 2.641 -1.401 1.00 4.50 C ATOM 116 O LEU A 587 -9.466 2.429 -0.878 1.00 42.21 O ATOM 117 CB LEU A 587 -12.308 1.961 0.224 1.00 62.12 C ATOM 118 CG LEU A 587 -13.601 1.212 0.499 1.00 62.22 C ATOM 119 CD1 LEU A 587 -14.005 1.362 1.948 1.00 5.02 C ATOM 120 CD2 LEU A 587 -14.709 1.723 -0.403 1.00 11.23 C ATOM 0 H LEU A 587 -10.649 0.064 -0.612 1.00 51.44 H new ATOM 0 HA LEU A 587 -12.502 1.964 -1.883 1.00 40.42 H new ATOM 0 HB2 LEU A 587 -11.569 1.665 0.969 1.00 62.12 H new ATOM 0 HB3 LEU A 587 -12.488 3.027 0.360 1.00 62.12 H new ATOM 0 HG LEU A 587 -13.434 0.155 0.291 1.00 62.22 H new ATOM 0 HD11 LEU A 587 -14.933 0.819 2.125 1.00 5.02 H new ATOM 0 HD12 LEU A 587 -13.220 0.958 2.588 1.00 5.02 H new ATOM 0 HD13 LEU A 587 -14.153 2.417 2.177 1.00 5.02 H new ATOM 0 HD21 LEU A 587 -15.629 1.177 -0.194 1.00 11.23 H new ATOM 0 HD22 LEU A 587 -14.868 2.785 -0.218 1.00 11.23 H new ATOM 0 HD23 LEU A 587 -14.427 1.574 -1.445 1.00 11.23 H new ATOM 132 N THR A 588 -10.783 3.611 -2.193 1.00 65.12 N ATOM 133 CA THR A 588 -9.770 4.539 -2.527 1.00 15.12 C ATOM 134 C THR A 588 -10.098 5.878 -1.897 1.00 43.02 C ATOM 135 O THR A 588 -11.182 6.438 -2.117 1.00 63.52 O ATOM 136 CB THR A 588 -9.660 4.690 -4.060 1.00 51.14 C ATOM 137 OG1 THR A 588 -9.478 3.385 -4.654 1.00 73.52 O ATOM 138 CG2 THR A 588 -8.474 5.577 -4.435 1.00 32.51 C ATOM 0 H THR A 588 -11.684 3.790 -2.637 1.00 65.12 H new ATOM 0 HA THR A 588 -8.813 4.178 -2.149 1.00 15.12 H new ATOM 0 HB THR A 588 -10.575 5.153 -4.430 1.00 51.14 H new ATOM 0 HG1 THR A 588 -9.409 3.475 -5.627 1.00 73.52 H new ATOM 0 HG21 THR A 588 -8.417 5.669 -5.520 1.00 32.51 H new ATOM 0 HG22 THR A 588 -8.605 6.565 -3.994 1.00 32.51 H new ATOM 0 HG23 THR A 588 -7.553 5.131 -4.060 1.00 32.51 H new ATOM 146 N PHE A 589 -9.198 6.363 -1.092 1.00 53.40 N ATOM 147 CA PHE A 589 -9.341 7.644 -0.484 1.00 22.13 C ATOM 148 C PHE A 589 -8.178 8.500 -0.877 1.00 31.12 C ATOM 149 O PHE A 589 -7.045 8.040 -0.886 1.00 21.24 O ATOM 150 CB PHE A 589 -9.446 7.525 1.039 1.00 70.31 C ATOM 151 CG PHE A 589 -10.698 6.836 1.449 1.00 14.14 C ATOM 152 CD1 PHE A 589 -11.906 7.406 1.145 1.00 42.34 C ATOM 153 CD2 PHE A 589 -10.678 5.622 2.116 1.00 31.23 C ATOM 154 CE1 PHE A 589 -13.075 6.804 1.486 1.00 74.54 C ATOM 155 CE2 PHE A 589 -11.858 5.003 2.473 1.00 53.40 C ATOM 156 CZ PHE A 589 -13.063 5.594 2.154 1.00 35.45 C ATOM 0 H PHE A 589 -8.339 5.873 -0.840 1.00 53.40 H new ATOM 0 HA PHE A 589 -10.265 8.106 -0.833 1.00 22.13 H new ATOM 0 HB2 PHE A 589 -8.586 6.976 1.422 1.00 70.31 H new ATOM 0 HB3 PHE A 589 -9.414 8.519 1.485 1.00 70.31 H new ATOM 0 HD1 PHE A 589 -11.929 8.352 0.624 1.00 42.34 H new ATOM 0 HD2 PHE A 589 -9.733 5.158 2.358 1.00 31.23 H new ATOM 0 HE1 PHE A 589 -14.015 7.272 1.235 1.00 74.54 H new ATOM 0 HE2 PHE A 589 -11.839 4.060 3.000 1.00 53.40 H new ATOM 0 HZ PHE A 589 -13.992 5.114 2.425 1.00 35.45 H new ATOM 166 N GLU A 590 -8.445 9.709 -1.253 1.00 64.05 N ATOM 167 CA GLU A 590 -7.403 10.626 -1.631 1.00 32.21 C ATOM 168 C GLU A 590 -7.449 11.810 -0.717 1.00 5.21 C ATOM 169 O GLU A 590 -8.406 12.578 -0.703 1.00 24.04 O ATOM 170 CB GLU A 590 -7.518 11.002 -3.091 1.00 61.43 C ATOM 171 CG GLU A 590 -7.457 9.775 -3.989 1.00 13.24 C ATOM 172 CD GLU A 590 -7.576 10.073 -5.442 1.00 15.23 C ATOM 173 OE1 GLU A 590 -8.713 10.250 -5.936 1.00 14.33 O ATOM 174 OE2 GLU A 590 -6.553 10.114 -6.126 1.00 2.02 O ATOM 0 H GLU A 590 -9.388 10.094 -1.309 1.00 64.05 H new ATOM 0 HA GLU A 590 -6.427 10.153 -1.523 1.00 32.21 H new ATOM 0 HB2 GLU A 590 -8.456 11.531 -3.259 1.00 61.43 H new ATOM 0 HB3 GLU A 590 -6.714 11.688 -3.356 1.00 61.43 H new ATOM 0 HG2 GLU A 590 -6.515 9.256 -3.812 1.00 13.24 H new ATOM 0 HG3 GLU A 590 -8.256 9.090 -3.704 1.00 13.24 H new ATOM 181 N VAL A 591 -6.435 11.931 0.038 1.00 0.15 N ATOM 182 CA VAL A 591 -6.355 12.856 1.123 1.00 32.34 C ATOM 183 C VAL A 591 -5.373 13.962 0.816 1.00 42.53 C ATOM 184 O VAL A 591 -4.210 13.709 0.622 1.00 73.50 O ATOM 185 CB VAL A 591 -5.898 12.074 2.381 1.00 24.30 C ATOM 186 CG1 VAL A 591 -5.697 12.993 3.576 1.00 15.25 C ATOM 187 CG2 VAL A 591 -6.941 11.036 2.714 1.00 54.40 C ATOM 0 H VAL A 591 -5.592 11.369 -0.076 1.00 0.15 H new ATOM 0 HA VAL A 591 -7.329 13.316 1.289 1.00 32.34 H new ATOM 0 HB VAL A 591 -4.940 11.602 2.162 1.00 24.30 H new ATOM 0 HG11 VAL A 591 -5.377 12.406 4.437 1.00 15.25 H new ATOM 0 HG12 VAL A 591 -4.935 13.736 3.340 1.00 15.25 H new ATOM 0 HG13 VAL A 591 -6.635 13.497 3.809 1.00 15.25 H new ATOM 0 HG21 VAL A 591 -6.631 10.479 3.598 1.00 54.40 H new ATOM 0 HG22 VAL A 591 -7.894 11.528 2.911 1.00 54.40 H new ATOM 0 HG23 VAL A 591 -7.053 10.351 1.874 1.00 54.40 H new ATOM 197 N PRO A 592 -5.832 15.199 0.742 1.00 21.54 N ATOM 198 CA PRO A 592 -4.950 16.328 0.519 1.00 23.42 C ATOM 199 C PRO A 592 -4.130 16.611 1.764 1.00 65.31 C ATOM 200 O PRO A 592 -4.581 16.334 2.885 1.00 34.24 O ATOM 201 CB PRO A 592 -5.905 17.478 0.230 1.00 1.33 C ATOM 202 CG PRO A 592 -7.153 17.110 0.937 1.00 54.02 C ATOM 203 CD PRO A 592 -7.244 15.615 0.870 1.00 44.22 C ATOM 0 HA PRO A 592 -4.236 16.160 -0.287 1.00 23.42 H new ATOM 0 HB2 PRO A 592 -5.507 18.425 0.594 1.00 1.33 H new ATOM 0 HB3 PRO A 592 -6.075 17.594 -0.840 1.00 1.33 H new ATOM 0 HG2 PRO A 592 -7.130 17.453 1.971 1.00 54.02 H new ATOM 0 HG3 PRO A 592 -8.019 17.575 0.466 1.00 54.02 H new ATOM 0 HD2 PRO A 592 -7.707 15.199 1.765 1.00 44.22 H new ATOM 0 HD3 PRO A 592 -7.840 15.285 0.019 1.00 44.22 H new ATOM 211 N LEU A 593 -2.929 17.109 1.579 1.00 64.20 N ATOM 212 CA LEU A 593 -2.081 17.458 2.714 1.00 75.22 C ATOM 213 C LEU A 593 -2.596 18.709 3.428 1.00 71.12 C ATOM 214 O LEU A 593 -2.129 19.830 3.198 1.00 12.41 O ATOM 215 CB LEU A 593 -0.575 17.582 2.347 1.00 13.42 C ATOM 216 CG LEU A 593 0.242 16.275 2.105 1.00 15.33 C ATOM 217 CD1 LEU A 593 0.328 15.439 3.373 1.00 55.44 C ATOM 218 CD2 LEU A 593 -0.320 15.446 0.953 1.00 60.35 C ATOM 0 H LEU A 593 -2.513 17.283 0.664 1.00 64.20 H new ATOM 0 HA LEU A 593 -2.145 16.621 3.409 1.00 75.22 H new ATOM 0 HB2 LEU A 593 -0.502 18.190 1.445 1.00 13.42 H new ATOM 0 HB3 LEU A 593 -0.084 18.137 3.146 1.00 13.42 H new ATOM 0 HG LEU A 593 1.249 16.582 1.823 1.00 15.33 H new ATOM 0 HD11 LEU A 593 0.903 14.535 3.174 1.00 55.44 H new ATOM 0 HD12 LEU A 593 0.819 16.016 4.157 1.00 55.44 H new ATOM 0 HD13 LEU A 593 -0.676 15.166 3.698 1.00 55.44 H new ATOM 0 HD21 LEU A 593 0.283 14.547 0.824 1.00 60.35 H new ATOM 0 HD22 LEU A 593 -1.349 15.164 1.176 1.00 60.35 H new ATOM 0 HD23 LEU A 593 -0.295 16.034 0.036 1.00 60.35 H new ATOM 230 N ASN A 594 -3.611 18.503 4.233 1.00 5.44 N ATOM 231 CA ASN A 594 -4.254 19.550 5.003 1.00 61.41 C ATOM 232 C ASN A 594 -4.043 19.329 6.482 1.00 34.51 C ATOM 233 O ASN A 594 -4.445 18.292 7.029 1.00 23.34 O ATOM 234 CB ASN A 594 -5.762 19.614 4.708 1.00 14.43 C ATOM 235 CG ASN A 594 -6.113 20.104 3.310 1.00 3.55 C ATOM 236 OD1 ASN A 594 -5.355 19.948 2.349 1.00 4.44 O ATOM 237 ND2 ASN A 594 -7.264 20.693 3.187 1.00 32.03 N ATOM 0 H ASN A 594 -4.025 17.582 4.377 1.00 5.44 H new ATOM 0 HA ASN A 594 -3.799 20.496 4.710 1.00 61.41 H new ATOM 0 HB2 ASN A 594 -6.189 18.621 4.849 1.00 14.43 H new ATOM 0 HB3 ASN A 594 -6.234 20.271 5.438 1.00 14.43 H new ATOM 0 HD21 ASN A 594 -7.564 21.042 2.277 1.00 32.03 H new ATOM 0 HD22 ASN A 594 -7.868 20.807 4.001 1.00 32.03 H new ATOM 244 N ASP A 595 -3.389 20.303 7.119 1.00 23.31 N ATOM 245 CA ASP A 595 -3.085 20.311 8.575 1.00 32.22 C ATOM 246 C ASP A 595 -2.144 19.143 8.883 1.00 73.34 C ATOM 247 O ASP A 595 -1.995 18.687 10.015 1.00 2.34 O ATOM 248 CB ASP A 595 -4.400 20.240 9.393 1.00 31.43 C ATOM 249 CG ASP A 595 -4.231 20.558 10.869 1.00 14.34 C ATOM 250 OD1 ASP A 595 -4.030 21.743 11.200 1.00 22.42 O ATOM 251 OD2 ASP A 595 -4.371 19.668 11.710 1.00 12.01 O ATOM 0 H ASP A 595 -3.043 21.133 6.637 1.00 23.31 H new ATOM 0 HA ASP A 595 -2.586 21.238 8.860 1.00 32.22 H new ATOM 0 HB2 ASP A 595 -5.121 20.935 8.963 1.00 31.43 H new ATOM 0 HB3 ASP A 595 -4.823 19.240 9.294 1.00 31.43 H new ATOM 256 N SER A 596 -1.440 18.742 7.843 1.00 41.33 N ATOM 257 CA SER A 596 -0.558 17.599 7.835 1.00 10.42 C ATOM 258 C SER A 596 0.756 17.842 8.564 1.00 64.01 C ATOM 259 O SER A 596 1.685 17.031 8.480 1.00 40.34 O ATOM 260 CB SER A 596 -0.299 17.233 6.400 1.00 64.34 C ATOM 261 OG SER A 596 -1.521 16.954 5.748 1.00 23.30 O ATOM 0 H SER A 596 -1.470 19.226 6.945 1.00 41.33 H new ATOM 0 HA SER A 596 -1.045 16.787 8.374 1.00 10.42 H new ATOM 0 HB2 SER A 596 0.215 18.050 5.894 1.00 64.34 H new ATOM 0 HB3 SER A 596 0.357 16.364 6.350 1.00 64.34 H new ATOM 0 HG SER A 596 -1.893 16.116 6.095 1.00 23.30 H new ATOM 267 N GLY A 597 0.837 18.928 9.279 1.00 24.11 N ATOM 268 CA GLY A 597 2.022 19.205 10.009 1.00 61.13 C ATOM 269 C GLY A 597 2.019 18.480 11.337 1.00 33.44 C ATOM 270 O GLY A 597 3.058 18.041 11.813 1.00 3.34 O ATOM 0 H GLY A 597 0.098 19.626 9.366 1.00 24.11 H new ATOM 0 HA2 GLY A 597 2.892 18.902 9.427 1.00 61.13 H new ATOM 0 HA3 GLY A 597 2.108 20.279 10.176 1.00 61.13 H new ATOM 274 N SER A 598 0.844 18.342 11.931 1.00 61.33 N ATOM 275 CA SER A 598 0.722 17.636 13.193 1.00 43.43 C ATOM 276 C SER A 598 0.612 16.138 12.931 1.00 64.44 C ATOM 277 O SER A 598 1.262 15.309 13.590 1.00 74.33 O ATOM 278 CB SER A 598 -0.468 18.166 14.014 1.00 74.43 C ATOM 279 OG SER A 598 -0.523 17.564 15.298 1.00 12.23 O ATOM 0 H SER A 598 -0.033 18.708 11.561 1.00 61.33 H new ATOM 0 HA SER A 598 1.616 17.814 13.790 1.00 43.43 H new ATOM 0 HB2 SER A 598 -0.384 19.247 14.121 1.00 74.43 H new ATOM 0 HB3 SER A 598 -1.397 17.970 13.479 1.00 74.43 H new ATOM 0 HG SER A 598 -1.288 17.922 15.795 1.00 12.23 H new ATOM 285 N ALA A 599 -0.172 15.820 11.968 1.00 11.42 N ATOM 286 CA ALA A 599 -0.370 14.498 11.510 1.00 21.45 C ATOM 287 C ALA A 599 -0.669 14.594 10.042 1.00 13.12 C ATOM 288 O ALA A 599 -1.485 15.429 9.636 1.00 71.41 O ATOM 289 CB ALA A 599 -1.503 13.829 12.263 1.00 21.40 C ATOM 0 H ALA A 599 -0.719 16.510 11.453 1.00 11.42 H new ATOM 0 HA ALA A 599 0.515 13.885 11.682 1.00 21.45 H new ATOM 0 HB1 ALA A 599 -1.636 12.813 11.892 1.00 21.40 H new ATOM 0 HB2 ALA A 599 -1.266 13.799 13.326 1.00 21.40 H new ATOM 0 HB3 ALA A 599 -2.423 14.393 12.112 1.00 21.40 H new ATOM 295 N GLY A 600 -0.017 13.775 9.266 1.00 30.44 N ATOM 296 CA GLY A 600 -0.106 13.843 7.819 1.00 12.14 C ATOM 297 C GLY A 600 -1.497 13.598 7.332 1.00 11.24 C ATOM 298 O GLY A 600 -2.108 14.459 6.689 1.00 73.55 O ATOM 0 H GLY A 600 0.595 13.036 9.612 1.00 30.44 H new ATOM 0 HA2 GLY A 600 0.229 14.824 7.481 1.00 12.14 H new ATOM 0 HA3 GLY A 600 0.567 13.107 7.379 1.00 12.14 H new ATOM 302 N LEU A 601 -1.990 12.446 7.629 1.00 42.21 N ATOM 303 CA LEU A 601 -3.334 12.086 7.306 1.00 1.41 C ATOM 304 C LEU A 601 -4.122 12.045 8.573 1.00 42.04 C ATOM 305 O LEU A 601 -5.351 12.223 8.573 1.00 54.54 O ATOM 306 CB LEU A 601 -3.408 10.716 6.608 1.00 5.10 C ATOM 307 CG LEU A 601 -2.816 10.606 5.191 1.00 13.41 C ATOM 308 CD1 LEU A 601 -1.314 10.739 5.185 1.00 72.54 C ATOM 309 CD2 LEU A 601 -3.239 9.321 4.539 1.00 74.31 C ATOM 0 H LEU A 601 -1.467 11.714 8.110 1.00 42.21 H new ATOM 0 HA LEU A 601 -3.739 12.825 6.615 1.00 1.41 H new ATOM 0 HB2 LEU A 601 -2.901 9.988 7.242 1.00 5.10 H new ATOM 0 HB3 LEU A 601 -4.456 10.420 6.558 1.00 5.10 H new ATOM 0 HG LEU A 601 -3.212 11.441 4.613 1.00 13.41 H new ATOM 0 HD11 LEU A 601 -0.945 10.654 4.163 1.00 72.54 H new ATOM 0 HD12 LEU A 601 -1.033 11.710 5.593 1.00 72.54 H new ATOM 0 HD13 LEU A 601 -0.876 9.949 5.795 1.00 72.54 H new ATOM 0 HD21 LEU A 601 -2.810 9.262 3.539 1.00 74.31 H new ATOM 0 HD22 LEU A 601 -2.888 8.478 5.134 1.00 74.31 H new ATOM 0 HD23 LEU A 601 -4.326 9.289 4.470 1.00 74.31 H new ATOM 321 N GLY A 602 -3.407 11.800 9.651 1.00 11.23 N ATOM 322 CA GLY A 602 -3.973 11.728 10.932 1.00 12.20 C ATOM 323 C GLY A 602 -4.608 10.409 11.130 1.00 52.42 C ATOM 324 O GLY A 602 -5.767 10.302 11.522 1.00 34.20 O ATOM 0 H GLY A 602 -2.399 11.646 9.634 1.00 11.23 H new ATOM 0 HA2 GLY A 602 -3.204 11.888 11.688 1.00 12.20 H new ATOM 0 HA3 GLY A 602 -4.712 12.519 11.057 1.00 12.20 H new ATOM 328 N VAL A 603 -3.870 9.386 10.805 1.00 52.35 N ATOM 329 CA VAL A 603 -4.316 8.057 11.032 1.00 73.34 C ATOM 330 C VAL A 603 -3.162 7.316 11.663 1.00 33.32 C ATOM 331 O VAL A 603 -1.997 7.647 11.416 1.00 34.33 O ATOM 332 CB VAL A 603 -4.674 7.334 9.683 1.00 15.20 C ATOM 333 CG1 VAL A 603 -5.331 5.995 9.916 1.00 64.35 C ATOM 334 CG2 VAL A 603 -5.516 8.202 8.765 1.00 12.14 C ATOM 0 H VAL A 603 -2.947 9.458 10.377 1.00 52.35 H new ATOM 0 HA VAL A 603 -5.207 8.073 11.660 1.00 73.34 H new ATOM 0 HB VAL A 603 -3.726 7.154 9.176 1.00 15.20 H new ATOM 0 HG11 VAL A 603 -5.561 5.531 8.957 1.00 64.35 H new ATOM 0 HG12 VAL A 603 -4.655 5.351 10.478 1.00 64.35 H new ATOM 0 HG13 VAL A 603 -6.252 6.135 10.481 1.00 64.35 H new ATOM 0 HG21 VAL A 603 -5.735 7.656 7.848 1.00 12.14 H new ATOM 0 HG22 VAL A 603 -6.449 8.462 9.265 1.00 12.14 H new ATOM 0 HG23 VAL A 603 -4.969 9.113 8.523 1.00 12.14 H new ATOM 344 N SER A 604 -3.458 6.350 12.445 1.00 24.14 N ATOM 345 CA SER A 604 -2.462 5.514 12.981 1.00 70.51 C ATOM 346 C SER A 604 -2.662 4.162 12.396 1.00 51.01 C ATOM 347 O SER A 604 -3.800 3.661 12.332 1.00 34.01 O ATOM 348 CB SER A 604 -2.554 5.446 14.508 1.00 42.54 C ATOM 349 OG SER A 604 -2.472 6.736 15.076 1.00 5.55 O ATOM 0 H SER A 604 -4.408 6.117 12.733 1.00 24.14 H new ATOM 0 HA SER A 604 -1.475 5.907 12.738 1.00 70.51 H new ATOM 0 HB2 SER A 604 -3.493 4.975 14.799 1.00 42.54 H new ATOM 0 HB3 SER A 604 -1.750 4.821 14.897 1.00 42.54 H new ATOM 0 HG SER A 604 -2.535 6.668 16.052 1.00 5.55 H new ATOM 355 N VAL A 605 -1.619 3.576 11.966 1.00 13.24 N ATOM 356 CA VAL A 605 -1.666 2.271 11.430 1.00 74.44 C ATOM 357 C VAL A 605 -0.726 1.351 12.130 1.00 41.35 C ATOM 358 O VAL A 605 0.185 1.780 12.824 1.00 31.23 O ATOM 359 CB VAL A 605 -1.402 2.199 9.933 1.00 3.41 C ATOM 360 CG1 VAL A 605 -2.625 2.601 9.137 1.00 64.42 C ATOM 361 CG2 VAL A 605 -0.212 3.056 9.518 1.00 72.34 C ATOM 0 H VAL A 605 -0.688 3.993 11.975 1.00 13.24 H new ATOM 0 HA VAL A 605 -2.695 1.952 11.595 1.00 74.44 H new ATOM 0 HB VAL A 605 -1.163 1.159 9.712 1.00 3.41 H new ATOM 0 HG11 VAL A 605 -2.402 2.539 8.072 1.00 64.42 H new ATOM 0 HG12 VAL A 605 -3.451 1.930 9.375 1.00 64.42 H new ATOM 0 HG13 VAL A 605 -2.904 3.624 9.390 1.00 64.42 H new ATOM 0 HG21 VAL A 605 -0.062 2.973 8.442 1.00 72.34 H new ATOM 0 HG22 VAL A 605 -0.405 4.097 9.778 1.00 72.34 H new ATOM 0 HG23 VAL A 605 0.683 2.712 10.037 1.00 72.34 H new ATOM 371 N LYS A 606 -0.979 0.105 11.977 1.00 40.32 N ATOM 372 CA LYS A 606 -0.179 -0.927 12.559 1.00 32.23 C ATOM 373 C LYS A 606 -0.215 -2.139 11.683 1.00 53.22 C ATOM 374 O LYS A 606 -1.168 -2.346 10.955 1.00 11.14 O ATOM 375 CB LYS A 606 -0.625 -1.290 13.971 1.00 10.35 C ATOM 376 CG LYS A 606 -2.000 -1.909 14.069 1.00 63.35 C ATOM 377 CD LYS A 606 -2.292 -2.310 15.490 1.00 12.33 C ATOM 378 CE LYS A 606 -3.650 -2.964 15.613 1.00 74.42 C ATOM 379 NZ LYS A 606 -3.971 -3.341 17.007 1.00 21.22 N ATOM 0 H LYS A 606 -1.767 -0.243 11.431 1.00 40.32 H new ATOM 0 HA LYS A 606 0.840 -0.547 12.636 1.00 32.23 H new ATOM 0 HB2 LYS A 606 0.100 -1.983 14.397 1.00 10.35 H new ATOM 0 HB3 LYS A 606 -0.604 -0.390 14.585 1.00 10.35 H new ATOM 0 HG2 LYS A 606 -2.751 -1.199 13.722 1.00 63.35 H new ATOM 0 HG3 LYS A 606 -2.061 -2.781 13.418 1.00 63.35 H new ATOM 0 HD2 LYS A 606 -1.523 -2.998 15.841 1.00 12.33 H new ATOM 0 HD3 LYS A 606 -2.251 -1.431 16.133 1.00 12.33 H new ATOM 0 HE2 LYS A 606 -4.414 -2.282 15.239 1.00 74.42 H new ATOM 0 HE3 LYS A 606 -3.680 -3.853 14.983 1.00 74.42 H new ATOM 0 HZ1 LYS A 606 -4.911 -3.785 17.039 1.00 21.22 H new ATOM 0 HZ2 LYS A 606 -3.259 -4.013 17.358 1.00 21.22 H new ATOM 0 HZ3 LYS A 606 -3.969 -2.491 17.606 1.00 21.22 H new ATOM 393 N GLY A 607 0.793 -2.918 11.736 1.00 30.21 N ATOM 394 CA GLY A 607 0.830 -4.085 10.925 1.00 30.41 C ATOM 395 C GLY A 607 1.051 -5.308 11.731 1.00 21.42 C ATOM 396 O GLY A 607 1.841 -5.299 12.688 1.00 63.34 O ATOM 0 H GLY A 607 1.609 -2.776 12.331 1.00 30.21 H new ATOM 0 HA2 GLY A 607 -0.107 -4.176 10.376 1.00 30.41 H new ATOM 0 HA3 GLY A 607 1.625 -3.989 10.185 1.00 30.41 H new ATOM 400 N ASN A 608 0.356 -6.347 11.384 1.00 72.13 N ATOM 401 CA ASN A 608 0.448 -7.599 12.084 1.00 65.03 C ATOM 402 C ASN A 608 0.821 -8.722 11.153 1.00 74.21 C ATOM 403 O ASN A 608 0.368 -8.771 9.995 1.00 62.43 O ATOM 404 CB ASN A 608 -0.860 -7.913 12.826 1.00 25.40 C ATOM 405 CG ASN A 608 -1.111 -6.976 14.001 1.00 73.13 C ATOM 406 OD1 ASN A 608 -1.726 -5.922 13.854 1.00 42.55 O ATOM 407 ND2 ASN A 608 -0.636 -7.344 15.171 1.00 32.04 N ATOM 0 H ASN A 608 -0.298 -6.354 10.601 1.00 72.13 H new ATOM 0 HA ASN A 608 1.242 -7.505 12.824 1.00 65.03 H new ATOM 0 HB2 ASN A 608 -1.694 -7.844 12.128 1.00 25.40 H new ATOM 0 HB3 ASN A 608 -0.830 -8.941 13.187 1.00 25.40 H new ATOM 0 HD21 ASN A 608 -0.774 -6.749 15.988 1.00 32.04 H new ATOM 0 HD22 ASN A 608 -0.130 -8.225 15.262 1.00 32.04 H new ATOM 414 N ARG A 609 1.655 -9.595 11.618 1.00 31.13 N ATOM 415 CA ARG A 609 2.043 -10.750 10.868 1.00 43.53 C ATOM 416 C ARG A 609 1.885 -11.958 11.715 1.00 23.03 C ATOM 417 O ARG A 609 2.405 -12.018 12.823 1.00 73.11 O ATOM 418 CB ARG A 609 3.478 -10.641 10.331 1.00 1.31 C ATOM 419 CG ARG A 609 3.967 -11.893 9.598 1.00 53.02 C ATOM 420 CD ARG A 609 5.317 -11.681 8.931 1.00 31.11 C ATOM 421 NE ARG A 609 6.374 -11.300 9.866 1.00 40.44 N ATOM 422 CZ ARG A 609 7.629 -10.981 9.497 1.00 2.23 C ATOM 423 NH1 ARG A 609 8.010 -11.100 8.221 1.00 31.13 N ATOM 424 NH2 ARG A 609 8.499 -10.567 10.399 1.00 35.12 N ATOM 0 H ARG A 609 2.091 -9.528 12.538 1.00 31.13 H new ATOM 0 HA ARG A 609 1.392 -10.825 9.997 1.00 43.53 H new ATOM 0 HB2 ARG A 609 3.537 -9.790 9.653 1.00 1.31 H new ATOM 0 HB3 ARG A 609 4.151 -10.434 11.163 1.00 1.31 H new ATOM 0 HG2 ARG A 609 4.039 -12.720 10.304 1.00 53.02 H new ATOM 0 HG3 ARG A 609 3.233 -12.180 8.845 1.00 53.02 H new ATOM 0 HD2 ARG A 609 5.609 -12.598 8.419 1.00 31.11 H new ATOM 0 HD3 ARG A 609 5.220 -10.907 8.169 1.00 31.11 H new ATOM 0 HE ARG A 609 6.147 -11.274 10.860 1.00 40.44 H new ATOM 0 HH11 ARG A 609 7.348 -11.434 7.520 1.00 31.13 H new ATOM 0 HH12 ARG A 609 8.962 -10.857 7.948 1.00 31.13 H new ATOM 0 HH21 ARG A 609 8.221 -10.488 11.377 1.00 35.12 H new ATOM 0 HH22 ARG A 609 9.449 -10.326 10.118 1.00 35.12 H new ATOM 438 N SER A 610 1.156 -12.906 11.216 1.00 42.42 N ATOM 439 CA SER A 610 0.949 -14.124 11.918 1.00 72.43 C ATOM 440 C SER A 610 2.069 -15.082 11.540 1.00 3.15 C ATOM 441 O SER A 610 2.003 -15.773 10.525 1.00 54.41 O ATOM 442 CB SER A 610 -0.427 -14.684 11.582 1.00 31.31 C ATOM 443 OG SER A 610 -1.438 -13.729 11.909 1.00 1.34 O ATOM 0 H SER A 610 0.690 -12.853 10.310 1.00 42.42 H new ATOM 0 HA SER A 610 0.973 -13.967 12.996 1.00 72.43 H new ATOM 0 HB2 SER A 610 -0.479 -14.931 10.522 1.00 31.31 H new ATOM 0 HB3 SER A 610 -0.597 -15.609 12.134 1.00 31.31 H new ATOM 0 HG SER A 610 -2.320 -14.150 11.840 1.00 1.34 H new ATOM 518 N ALA A 615 2.217 -15.967 7.574 1.00 70.25 N ATOM 519 CA ALA A 615 1.632 -15.006 6.678 1.00 5.13 C ATOM 520 C ALA A 615 1.389 -13.685 7.370 1.00 62.55 C ATOM 521 O ALA A 615 1.022 -13.640 8.541 1.00 50.13 O ATOM 522 CB ALA A 615 0.331 -15.546 6.113 1.00 14.21 C ATOM 0 HA ALA A 615 2.335 -14.834 5.863 1.00 5.13 H new ATOM 0 HB1 ALA A 615 -0.104 -14.811 5.436 1.00 14.21 H new ATOM 0 HB2 ALA A 615 0.526 -16.470 5.569 1.00 14.21 H new ATOM 0 HB3 ALA A 615 -0.365 -15.745 6.928 1.00 14.21 H new ATOM 528 N ASP A 616 1.607 -12.626 6.650 1.00 25.12 N ATOM 529 CA ASP A 616 1.367 -11.293 7.132 1.00 21.43 C ATOM 530 C ASP A 616 -0.074 -10.948 6.910 1.00 41.13 C ATOM 531 O ASP A 616 -0.678 -11.362 5.921 1.00 2.13 O ATOM 532 CB ASP A 616 2.289 -10.270 6.438 1.00 51.21 C ATOM 533 CG ASP A 616 2.139 -10.246 4.933 1.00 72.50 C ATOM 534 OD1 ASP A 616 2.743 -11.117 4.257 1.00 51.13 O ATOM 535 OD2 ASP A 616 1.422 -9.376 4.400 1.00 12.24 O ATOM 0 H ASP A 616 1.963 -12.661 5.695 1.00 25.12 H new ATOM 0 HA ASP A 616 1.592 -11.255 8.198 1.00 21.43 H new ATOM 0 HB2 ASP A 616 2.077 -9.276 6.832 1.00 51.21 H new ATOM 0 HB3 ASP A 616 3.325 -10.498 6.688 1.00 51.21 H new ATOM 540 N LEU A 617 -0.641 -10.228 7.833 1.00 22.25 N ATOM 541 CA LEU A 617 -2.024 -9.846 7.735 1.00 42.40 C ATOM 542 C LEU A 617 -2.118 -8.505 7.022 1.00 11.43 C ATOM 543 O LEU A 617 -3.191 -8.069 6.617 1.00 40.13 O ATOM 544 CB LEU A 617 -2.630 -9.750 9.138 1.00 53.22 C ATOM 545 CG LEU A 617 -2.529 -11.005 10.015 1.00 64.10 C ATOM 546 CD1 LEU A 617 -3.172 -10.760 11.368 1.00 20.54 C ATOM 547 CD2 LEU A 617 -3.166 -12.211 9.331 1.00 54.13 C ATOM 0 H LEU A 617 -0.165 -9.890 8.669 1.00 22.25 H new ATOM 0 HA LEU A 617 -2.579 -10.593 7.167 1.00 42.40 H new ATOM 0 HB2 LEU A 617 -2.145 -8.927 9.663 1.00 53.22 H new ATOM 0 HB3 LEU A 617 -3.683 -9.488 9.037 1.00 53.22 H new ATOM 0 HG LEU A 617 -1.472 -11.225 10.165 1.00 64.10 H new ATOM 0 HD11 LEU A 617 -3.092 -11.660 11.977 1.00 20.54 H new ATOM 0 HD12 LEU A 617 -2.663 -9.936 11.869 1.00 20.54 H new ATOM 0 HD13 LEU A 617 -4.223 -10.508 11.231 1.00 20.54 H new ATOM 0 HD21 LEU A 617 -3.078 -13.084 9.977 1.00 54.13 H new ATOM 0 HD22 LEU A 617 -4.219 -12.006 9.139 1.00 54.13 H new ATOM 0 HD23 LEU A 617 -2.656 -12.405 8.387 1.00 54.13 H new ATOM 559 N GLY A 618 -0.973 -7.883 6.855 1.00 3.23 N ATOM 560 CA GLY A 618 -0.912 -6.590 6.225 1.00 44.54 C ATOM 561 C GLY A 618 -0.939 -5.466 7.238 1.00 52.54 C ATOM 562 O GLY A 618 -0.756 -5.692 8.448 1.00 22.22 O ATOM 0 H GLY A 618 -0.070 -8.256 7.149 1.00 3.23 H new ATOM 0 HA2 GLY A 618 -0.002 -6.519 5.629 1.00 44.54 H new ATOM 0 HA3 GLY A 618 -1.752 -6.481 5.539 1.00 44.54 H new ATOM 566 N ILE A 619 -1.144 -4.267 6.760 1.00 32.25 N ATOM 567 CA ILE A 619 -1.206 -3.091 7.602 1.00 53.20 C ATOM 568 C ILE A 619 -2.661 -2.745 7.838 1.00 3.11 C ATOM 569 O ILE A 619 -3.460 -2.799 6.906 1.00 42.23 O ATOM 570 CB ILE A 619 -0.504 -1.890 6.911 1.00 43.23 C ATOM 571 CG1 ILE A 619 0.937 -2.259 6.549 1.00 61.24 C ATOM 572 CG2 ILE A 619 -0.530 -0.644 7.795 1.00 31.50 C ATOM 573 CD1 ILE A 619 1.760 -2.753 7.719 1.00 51.11 C ATOM 0 H ILE A 619 -1.274 -4.072 5.767 1.00 32.25 H new ATOM 0 HA ILE A 619 -0.701 -3.296 8.546 1.00 53.20 H new ATOM 0 HB ILE A 619 -1.052 -1.659 5.998 1.00 43.23 H new ATOM 0 HG12 ILE A 619 0.921 -3.030 5.779 1.00 61.24 H new ATOM 0 HG13 ILE A 619 1.427 -1.386 6.117 1.00 61.24 H new ATOM 0 HG21 ILE A 619 -0.030 0.177 7.281 1.00 31.50 H new ATOM 0 HG22 ILE A 619 -1.563 -0.367 8.003 1.00 31.50 H new ATOM 0 HG23 ILE A 619 -0.015 -0.852 8.733 1.00 31.50 H new ATOM 0 HD11 ILE A 619 2.768 -2.993 7.379 1.00 51.11 H new ATOM 0 HD12 ILE A 619 1.810 -1.977 8.482 1.00 51.11 H new ATOM 0 HD13 ILE A 619 1.296 -3.646 8.139 1.00 51.11 H new ATOM 585 N PHE A 620 -3.000 -2.422 9.052 1.00 73.50 N ATOM 586 CA PHE A 620 -4.350 -2.088 9.414 1.00 3.53 C ATOM 587 C PHE A 620 -4.388 -0.774 10.147 1.00 32.10 C ATOM 588 O PHE A 620 -3.450 -0.425 10.862 1.00 31.43 O ATOM 589 CB PHE A 620 -4.949 -3.135 10.344 1.00 63.44 C ATOM 590 CG PHE A 620 -5.041 -4.518 9.798 1.00 21.22 C ATOM 591 CD1 PHE A 620 -6.132 -4.904 9.023 1.00 15.13 C ATOM 592 CD2 PHE A 620 -4.060 -5.459 10.091 1.00 12.43 C ATOM 593 CE1 PHE A 620 -6.238 -6.192 8.558 1.00 61.13 C ATOM 594 CE2 PHE A 620 -4.165 -6.740 9.616 1.00 71.12 C ATOM 595 CZ PHE A 620 -5.255 -7.111 8.851 1.00 3.22 C ATOM 0 H PHE A 620 -2.340 -2.382 9.829 1.00 73.50 H new ATOM 0 HA PHE A 620 -4.921 -2.037 8.487 1.00 3.53 H new ATOM 0 HB2 PHE A 620 -4.353 -3.165 11.256 1.00 63.44 H new ATOM 0 HB3 PHE A 620 -5.950 -2.810 10.627 1.00 63.44 H new ATOM 0 HD1 PHE A 620 -6.901 -4.184 8.786 1.00 15.13 H new ATOM 0 HD2 PHE A 620 -3.211 -5.179 10.696 1.00 12.43 H new ATOM 0 HE1 PHE A 620 -7.091 -6.484 7.963 1.00 61.13 H new ATOM 0 HE2 PHE A 620 -3.394 -7.462 9.840 1.00 71.12 H new ATOM 0 HZ PHE A 620 -5.336 -8.123 8.483 1.00 3.22 H new ATOM 605 N VAL A 621 -5.450 -0.052 9.959 1.00 42.41 N ATOM 606 CA VAL A 621 -5.696 1.152 10.718 1.00 24.41 C ATOM 607 C VAL A 621 -5.990 0.778 12.168 1.00 62.31 C ATOM 608 O VAL A 621 -6.847 -0.048 12.437 1.00 21.14 O ATOM 609 CB VAL A 621 -6.893 1.948 10.151 1.00 60.32 C ATOM 610 CG1 VAL A 621 -7.137 3.208 10.959 1.00 43.21 C ATOM 611 CG2 VAL A 621 -6.659 2.293 8.696 1.00 13.32 C ATOM 0 H VAL A 621 -6.175 -0.274 9.277 1.00 42.41 H new ATOM 0 HA VAL A 621 -4.808 1.780 10.654 1.00 24.41 H new ATOM 0 HB VAL A 621 -7.781 1.320 10.222 1.00 60.32 H new ATOM 0 HG11 VAL A 621 -7.984 3.751 10.540 1.00 43.21 H new ATOM 0 HG12 VAL A 621 -7.353 2.941 11.993 1.00 43.21 H new ATOM 0 HG13 VAL A 621 -6.249 3.840 10.925 1.00 43.21 H new ATOM 0 HG21 VAL A 621 -7.512 2.853 8.313 1.00 13.32 H new ATOM 0 HG22 VAL A 621 -5.757 2.899 8.606 1.00 13.32 H new ATOM 0 HG23 VAL A 621 -6.539 1.376 8.119 1.00 13.32 H new ATOM 621 N LYS A 622 -5.277 1.363 13.072 1.00 65.31 N ATOM 622 CA LYS A 622 -5.479 1.109 14.488 1.00 4.34 C ATOM 623 C LYS A 622 -6.326 2.195 15.126 1.00 70.32 C ATOM 624 O LYS A 622 -7.208 1.913 15.922 1.00 14.43 O ATOM 625 CB LYS A 622 -4.137 0.966 15.214 1.00 32.14 C ATOM 626 CG LYS A 622 -3.130 1.989 14.767 1.00 24.02 C ATOM 627 CD LYS A 622 -1.865 2.016 15.576 1.00 12.52 C ATOM 628 CE LYS A 622 -2.141 2.582 16.977 1.00 32.11 C ATOM 629 NZ LYS A 622 -0.935 2.716 17.807 1.00 34.12 N ATOM 0 H LYS A 622 -4.535 2.032 12.866 1.00 65.31 H new ATOM 0 HA LYS A 622 -6.019 0.167 14.583 1.00 4.34 H new ATOM 0 HB2 LYS A 622 -4.296 1.062 16.288 1.00 32.14 H new ATOM 0 HB3 LYS A 622 -3.738 -0.033 15.039 1.00 32.14 H new ATOM 0 HG2 LYS A 622 -2.875 1.797 13.725 1.00 24.02 H new ATOM 0 HG3 LYS A 622 -3.592 2.976 14.806 1.00 24.02 H new ATOM 0 HD2 LYS A 622 -1.456 1.009 15.657 1.00 12.52 H new ATOM 0 HD3 LYS A 622 -1.115 2.625 15.071 1.00 12.52 H new ATOM 0 HE2 LYS A 622 -2.614 3.559 16.878 1.00 32.11 H new ATOM 0 HE3 LYS A 622 -2.853 1.934 17.488 1.00 32.11 H new ATOM 0 HZ1 LYS A 622 -1.093 3.442 18.535 1.00 34.12 H new ATOM 0 HZ2 LYS A 622 -0.726 1.806 18.265 1.00 34.12 H new ATOM 0 HZ3 LYS A 622 -0.131 2.995 17.209 1.00 34.12 H new ATOM 643 N SER A 623 -6.057 3.431 14.785 1.00 72.52 N ATOM 644 CA SER A 623 -6.792 4.522 15.351 1.00 64.14 C ATOM 645 C SER A 623 -6.865 5.664 14.356 1.00 11.41 C ATOM 646 O SER A 623 -5.935 5.868 13.574 1.00 35.21 O ATOM 647 CB SER A 623 -6.142 4.977 16.675 1.00 63.42 C ATOM 648 OG SER A 623 -6.908 5.989 17.318 1.00 61.21 O ATOM 0 H SER A 623 -5.334 3.701 14.118 1.00 72.52 H new ATOM 0 HA SER A 623 -7.808 4.194 15.573 1.00 64.14 H new ATOM 0 HB2 SER A 623 -6.037 4.121 17.342 1.00 63.42 H new ATOM 0 HB3 SER A 623 -5.138 5.352 16.477 1.00 63.42 H new ATOM 0 HG SER A 623 -6.468 6.251 18.153 1.00 61.21 H new ATOM 654 N ILE A 624 -7.971 6.365 14.356 1.00 33.11 N ATOM 655 CA ILE A 624 -8.148 7.528 13.532 1.00 31.11 C ATOM 656 C ILE A 624 -7.913 8.767 14.372 1.00 15.05 C ATOM 657 O ILE A 624 -8.482 8.906 15.462 1.00 63.25 O ATOM 658 CB ILE A 624 -9.577 7.594 12.877 1.00 22.31 C ATOM 659 CG1 ILE A 624 -9.775 6.512 11.810 1.00 52.32 C ATOM 660 CG2 ILE A 624 -9.852 8.958 12.277 1.00 63.25 C ATOM 661 CD1 ILE A 624 -9.779 5.093 12.299 1.00 62.44 C ATOM 0 H ILE A 624 -8.780 6.140 14.935 1.00 33.11 H new ATOM 0 HA ILE A 624 -7.427 7.471 12.717 1.00 31.11 H new ATOM 0 HB ILE A 624 -10.289 7.413 13.682 1.00 22.31 H new ATOM 0 HG12 ILE A 624 -10.720 6.702 11.301 1.00 52.32 H new ATOM 0 HG13 ILE A 624 -8.985 6.616 11.066 1.00 52.32 H new ATOM 0 HG21 ILE A 624 -10.848 8.966 11.834 1.00 63.25 H new ATOM 0 HG22 ILE A 624 -9.796 9.717 13.057 1.00 63.25 H new ATOM 0 HG23 ILE A 624 -9.111 9.173 11.508 1.00 63.25 H new ATOM 0 HD11 ILE A 624 -9.927 4.418 11.456 1.00 62.44 H new ATOM 0 HD12 ILE A 624 -8.826 4.871 12.779 1.00 62.44 H new ATOM 0 HD13 ILE A 624 -10.587 4.958 13.018 1.00 62.44 H new ATOM 673 N ILE A 625 -7.086 9.646 13.881 1.00 62.43 N ATOM 674 CA ILE A 625 -6.782 10.873 14.580 1.00 35.44 C ATOM 675 C ILE A 625 -7.760 11.957 14.141 1.00 61.44 C ATOM 676 O ILE A 625 -7.854 12.291 12.947 1.00 34.14 O ATOM 677 CB ILE A 625 -5.308 11.343 14.340 1.00 22.41 C ATOM 678 CG1 ILE A 625 -4.326 10.264 14.830 1.00 0.32 C ATOM 679 CG2 ILE A 625 -5.044 12.663 15.062 1.00 70.23 C ATOM 680 CD1 ILE A 625 -2.864 10.609 14.603 1.00 51.11 C ATOM 0 H ILE A 625 -6.603 9.538 12.989 1.00 62.43 H new ATOM 0 HA ILE A 625 -6.885 10.686 15.649 1.00 35.44 H new ATOM 0 HB ILE A 625 -5.160 11.498 13.271 1.00 22.41 H new ATOM 0 HG12 ILE A 625 -4.488 10.097 15.895 1.00 0.32 H new ATOM 0 HG13 ILE A 625 -4.550 9.326 14.322 1.00 0.32 H new ATOM 0 HG21 ILE A 625 -4.015 12.975 14.885 1.00 70.23 H new ATOM 0 HG22 ILE A 625 -5.725 13.426 14.685 1.00 70.23 H new ATOM 0 HG23 ILE A 625 -5.204 12.531 16.132 1.00 70.23 H new ATOM 0 HD11 ILE A 625 -2.237 9.799 14.975 1.00 51.11 H new ATOM 0 HD12 ILE A 625 -2.684 10.747 13.537 1.00 51.11 H new ATOM 0 HD13 ILE A 625 -2.621 11.529 15.134 1.00 51.11 H new ATOM 692 N ASN A 626 -8.499 12.484 15.089 1.00 3.22 N ATOM 693 CA ASN A 626 -9.482 13.506 14.806 1.00 12.13 C ATOM 694 C ASN A 626 -8.796 14.793 14.400 1.00 70.10 C ATOM 695 O ASN A 626 -7.894 15.270 15.081 1.00 14.02 O ATOM 696 CB ASN A 626 -10.417 13.723 16.010 1.00 43.04 C ATOM 697 CG ASN A 626 -11.455 14.814 15.771 1.00 70.13 C ATOM 698 OD1 ASN A 626 -12.528 14.554 15.225 1.00 21.13 O ATOM 699 ND2 ASN A 626 -11.171 16.017 16.209 1.00 54.31 N ATOM 0 H ASN A 626 -8.438 12.219 16.072 1.00 3.22 H new ATOM 0 HA ASN A 626 -10.100 13.172 13.972 1.00 12.13 H new ATOM 0 HB2 ASN A 626 -10.928 12.788 16.239 1.00 43.04 H new ATOM 0 HB3 ASN A 626 -9.820 13.983 16.884 1.00 43.04 H new ATOM 0 HD21 ASN A 626 -11.849 16.772 16.102 1.00 54.31 H new ATOM 0 HD22 ASN A 626 -10.273 16.198 16.657 1.00 54.31 H new ATOM 706 N GLY A 627 -9.210 15.339 13.290 1.00 52.14 N ATOM 707 CA GLY A 627 -8.585 16.530 12.788 1.00 54.24 C ATOM 708 C GLY A 627 -7.676 16.212 11.630 1.00 75.34 C ATOM 709 O GLY A 627 -7.144 17.110 10.972 1.00 75.22 O ATOM 0 H GLY A 627 -9.974 14.980 12.718 1.00 52.14 H new ATOM 0 HA2 GLY A 627 -9.349 17.241 12.472 1.00 54.24 H new ATOM 0 HA3 GLY A 627 -8.014 17.009 13.583 1.00 54.24 H new ATOM 713 N GLY A 628 -7.477 14.931 11.390 1.00 51.10 N ATOM 714 CA GLY A 628 -6.682 14.512 10.274 1.00 30.31 C ATOM 715 C GLY A 628 -7.443 14.687 8.981 1.00 42.44 C ATOM 716 O GLY A 628 -8.669 14.523 8.955 1.00 23.01 O ATOM 0 H GLY A 628 -7.857 14.172 11.955 1.00 51.10 H new ATOM 0 HA2 GLY A 628 -5.760 15.092 10.240 1.00 30.31 H new ATOM 0 HA3 GLY A 628 -6.397 13.467 10.396 1.00 30.31 H new ATOM 720 N ALA A 629 -6.744 15.005 7.918 1.00 4.14 N ATOM 721 CA ALA A 629 -7.368 15.240 6.623 1.00 2.14 C ATOM 722 C ALA A 629 -8.037 13.988 6.097 1.00 41.11 C ATOM 723 O ALA A 629 -9.110 14.051 5.497 1.00 33.45 O ATOM 724 CB ALA A 629 -6.360 15.788 5.631 1.00 63.54 C ATOM 0 H ALA A 629 -5.729 15.110 7.918 1.00 4.14 H new ATOM 0 HA ALA A 629 -8.147 15.990 6.758 1.00 2.14 H new ATOM 0 HB1 ALA A 629 -6.848 15.956 4.671 1.00 63.54 H new ATOM 0 HB2 ALA A 629 -5.958 16.730 6.003 1.00 63.54 H new ATOM 0 HB3 ALA A 629 -5.548 15.072 5.505 1.00 63.54 H new ATOM 730 N ALA A 630 -7.421 12.845 6.352 1.00 33.44 N ATOM 731 CA ALA A 630 -7.983 11.566 5.933 1.00 43.25 C ATOM 732 C ALA A 630 -9.220 11.279 6.709 1.00 53.44 C ATOM 733 O ALA A 630 -10.159 10.658 6.212 1.00 30.20 O ATOM 734 CB ALA A 630 -6.985 10.443 6.112 1.00 72.34 C ATOM 0 H ALA A 630 -6.532 12.774 6.847 1.00 33.44 H new ATOM 0 HA ALA A 630 -8.227 11.633 4.873 1.00 43.25 H new ATOM 0 HB1 ALA A 630 -7.434 9.503 5.791 1.00 72.34 H new ATOM 0 HB2 ALA A 630 -6.098 10.645 5.512 1.00 72.34 H new ATOM 0 HB3 ALA A 630 -6.703 10.371 7.162 1.00 72.34 H new ATOM 740 N SER A 631 -9.229 11.752 7.903 1.00 24.43 N ATOM 741 CA SER A 631 -10.341 11.560 8.770 1.00 50.32 C ATOM 742 C SER A 631 -11.507 12.413 8.300 1.00 35.53 C ATOM 743 O SER A 631 -12.597 11.908 8.070 1.00 65.32 O ATOM 744 CB SER A 631 -9.972 11.909 10.218 1.00 34.33 C ATOM 745 OG SER A 631 -11.071 11.699 11.090 1.00 30.40 O ATOM 0 H SER A 631 -8.462 12.287 8.311 1.00 24.43 H new ATOM 0 HA SER A 631 -10.630 10.509 8.742 1.00 50.32 H new ATOM 0 HB2 SER A 631 -9.128 11.299 10.539 1.00 34.33 H new ATOM 0 HB3 SER A 631 -9.653 12.950 10.274 1.00 34.33 H new ATOM 0 HG SER A 631 -10.810 11.927 12.007 1.00 30.40 H new ATOM 751 N LYS A 632 -11.248 13.685 8.111 1.00 32.43 N ATOM 752 CA LYS A 632 -12.277 14.635 7.760 1.00 22.13 C ATOM 753 C LYS A 632 -12.808 14.429 6.344 1.00 35.44 C ATOM 754 O LYS A 632 -14.018 14.337 6.141 1.00 31.10 O ATOM 755 CB LYS A 632 -11.736 16.054 7.929 1.00 14.15 C ATOM 756 CG LYS A 632 -11.304 16.370 9.356 1.00 13.13 C ATOM 757 CD LYS A 632 -10.695 17.760 9.489 1.00 72.41 C ATOM 758 CE LYS A 632 -11.684 18.862 9.134 1.00 10.32 C ATOM 759 NZ LYS A 632 -11.098 20.205 9.302 1.00 14.34 N ATOM 0 H LYS A 632 -10.316 14.091 8.196 1.00 32.43 H new ATOM 0 HA LYS A 632 -13.120 14.476 8.433 1.00 22.13 H new ATOM 0 HB2 LYS A 632 -10.886 16.193 7.261 1.00 14.15 H new ATOM 0 HB3 LYS A 632 -12.502 16.766 7.623 1.00 14.15 H new ATOM 0 HG2 LYS A 632 -12.166 16.290 10.019 1.00 13.13 H new ATOM 0 HG3 LYS A 632 -10.578 15.626 9.685 1.00 13.13 H new ATOM 0 HD2 LYS A 632 -10.345 17.904 10.511 1.00 72.41 H new ATOM 0 HD3 LYS A 632 -9.822 17.835 8.840 1.00 72.41 H new ATOM 0 HE2 LYS A 632 -12.012 18.736 8.102 1.00 10.32 H new ATOM 0 HE3 LYS A 632 -12.569 18.771 9.763 1.00 10.32 H new ATOM 0 HZ1 LYS A 632 -11.804 20.926 9.050 1.00 14.34 H new ATOM 0 HZ2 LYS A 632 -10.808 20.336 10.292 1.00 14.34 H new ATOM 0 HZ3 LYS A 632 -10.268 20.302 8.683 1.00 14.34 H new ATOM 773 N ASP A 633 -11.916 14.347 5.375 1.00 62.44 N ATOM 774 CA ASP A 633 -12.337 14.233 3.981 1.00 63.25 C ATOM 775 C ASP A 633 -12.758 12.815 3.611 1.00 31.14 C ATOM 776 O ASP A 633 -13.848 12.590 3.075 1.00 0.13 O ATOM 777 CB ASP A 633 -11.239 14.715 3.031 1.00 71.24 C ATOM 778 CG ASP A 633 -11.693 14.729 1.583 1.00 44.13 C ATOM 779 OD1 ASP A 633 -11.534 13.708 0.875 1.00 72.14 O ATOM 780 OD2 ASP A 633 -12.202 15.774 1.129 1.00 11.23 O ATOM 0 H ASP A 633 -10.906 14.356 5.518 1.00 62.44 H new ATOM 0 HA ASP A 633 -13.211 14.876 3.872 1.00 63.25 H new ATOM 0 HB2 ASP A 633 -10.926 15.718 3.321 1.00 71.24 H new ATOM 0 HB3 ASP A 633 -10.367 14.068 3.130 1.00 71.24 H new ATOM 785 N GLY A 634 -11.897 11.867 3.920 1.00 4.14 N ATOM 786 CA GLY A 634 -12.107 10.503 3.484 1.00 20.24 C ATOM 787 C GLY A 634 -13.042 9.694 4.358 1.00 74.32 C ATOM 788 O GLY A 634 -13.873 8.953 3.836 1.00 65.01 O ATOM 0 H GLY A 634 -11.050 12.015 4.468 1.00 4.14 H new ATOM 0 HA2 GLY A 634 -12.503 10.518 2.469 1.00 20.24 H new ATOM 0 HA3 GLY A 634 -11.142 9.997 3.442 1.00 20.24 H new ATOM 792 N ARG A 635 -12.905 9.838 5.685 1.00 35.31 N ATOM 793 CA ARG A 635 -13.690 9.049 6.654 1.00 31.41 C ATOM 794 C ARG A 635 -13.353 7.555 6.554 1.00 34.43 C ATOM 795 O ARG A 635 -14.062 6.773 5.897 1.00 2.53 O ATOM 796 CB ARG A 635 -15.217 9.276 6.512 1.00 74.44 C ATOM 797 CG ARG A 635 -15.749 10.645 6.953 1.00 44.24 C ATOM 798 CD ARG A 635 -15.896 10.758 8.482 1.00 31.42 C ATOM 799 NE ARG A 635 -14.636 10.664 9.226 1.00 1.14 N ATOM 800 CZ ARG A 635 -14.491 10.039 10.410 1.00 34.34 C ATOM 801 NH1 ARG A 635 -15.509 9.377 10.949 1.00 34.15 N ATOM 802 NH2 ARG A 635 -13.336 10.089 11.059 1.00 64.02 N ATOM 0 H ARG A 635 -12.255 10.496 6.116 1.00 35.31 H new ATOM 0 HA ARG A 635 -13.406 9.405 7.644 1.00 31.41 H new ATOM 0 HB2 ARG A 635 -15.489 9.125 5.467 1.00 74.44 H new ATOM 0 HB3 ARG A 635 -15.731 8.508 7.090 1.00 74.44 H new ATOM 0 HG2 ARG A 635 -15.075 11.424 6.598 1.00 44.24 H new ATOM 0 HG3 ARG A 635 -16.717 10.823 6.484 1.00 44.24 H new ATOM 0 HD2 ARG A 635 -16.372 11.710 8.718 1.00 31.42 H new ATOM 0 HD3 ARG A 635 -16.567 9.971 8.828 1.00 31.42 H new ATOM 0 HE ARG A 635 -13.811 11.103 8.818 1.00 1.14 H new ATOM 0 HH11 ARG A 635 -16.406 9.340 10.466 1.00 34.15 H new ATOM 0 HH12 ARG A 635 -15.393 8.906 11.846 1.00 34.15 H new ATOM 0 HH21 ARG A 635 -12.550 10.603 10.662 1.00 64.02 H new ATOM 0 HH22 ARG A 635 -13.234 9.613 11.955 1.00 64.02 H new ATOM 816 N LEU A 636 -12.241 7.176 7.144 1.00 23.55 N ATOM 817 CA LEU A 636 -11.830 5.783 7.144 1.00 42.33 C ATOM 818 C LEU A 636 -12.276 5.114 8.408 1.00 60.30 C ATOM 819 O LEU A 636 -12.906 5.738 9.265 1.00 14.12 O ATOM 820 CB LEU A 636 -10.308 5.577 6.947 1.00 14.54 C ATOM 821 CG LEU A 636 -9.720 5.929 5.577 1.00 30.24 C ATOM 822 CD1 LEU A 636 -9.732 7.414 5.325 1.00 11.43 C ATOM 823 CD2 LEU A 636 -8.327 5.349 5.429 1.00 45.14 C ATOM 0 H LEU A 636 -11.604 7.808 7.630 1.00 23.55 H new ATOM 0 HA LEU A 636 -12.314 5.326 6.281 1.00 42.33 H new ATOM 0 HB2 LEU A 636 -9.788 6.170 7.699 1.00 14.54 H new ATOM 0 HB3 LEU A 636 -10.080 4.531 7.152 1.00 14.54 H new ATOM 0 HG LEU A 636 -10.357 5.478 4.816 1.00 30.24 H new ATOM 0 HD11 LEU A 636 -9.306 7.620 4.343 1.00 11.43 H new ATOM 0 HD12 LEU A 636 -10.758 7.781 5.360 1.00 11.43 H new ATOM 0 HD13 LEU A 636 -9.140 7.918 6.089 1.00 11.43 H new ATOM 0 HD21 LEU A 636 -7.926 5.610 4.449 1.00 45.14 H new ATOM 0 HD22 LEU A 636 -7.679 5.755 6.206 1.00 45.14 H new ATOM 0 HD23 LEU A 636 -8.372 4.264 5.525 1.00 45.14 H new ATOM 835 N ARG A 637 -11.936 3.872 8.543 1.00 72.31 N ATOM 836 CA ARG A 637 -12.372 3.094 9.668 1.00 62.21 C ATOM 837 C ARG A 637 -11.196 2.398 10.324 1.00 52.23 C ATOM 838 O ARG A 637 -10.098 2.353 9.765 1.00 41.24 O ATOM 839 CB ARG A 637 -13.380 2.054 9.204 1.00 73.15 C ATOM 840 CG ARG A 637 -12.793 1.015 8.304 1.00 12.43 C ATOM 841 CD ARG A 637 -13.847 0.092 7.781 1.00 43.22 C ATOM 842 NE ARG A 637 -14.680 0.691 6.735 1.00 23.12 N ATOM 843 CZ ARG A 637 -15.957 0.373 6.513 1.00 71.41 C ATOM 844 NH1 ARG A 637 -16.616 -0.400 7.381 1.00 74.21 N ATOM 845 NH2 ARG A 637 -16.590 0.858 5.455 1.00 54.20 N ATOM 0 H ARG A 637 -11.349 3.365 7.880 1.00 72.31 H new ATOM 0 HA ARG A 637 -12.834 3.761 10.396 1.00 62.21 H new ATOM 0 HB2 ARG A 637 -13.813 1.565 10.076 1.00 73.15 H new ATOM 0 HB3 ARG A 637 -14.195 2.556 8.683 1.00 73.15 H new ATOM 0 HG2 ARG A 637 -12.284 1.498 7.470 1.00 12.43 H new ATOM 0 HG3 ARG A 637 -12.042 0.442 8.848 1.00 12.43 H new ATOM 0 HD2 ARG A 637 -13.370 -0.805 7.386 1.00 43.22 H new ATOM 0 HD3 ARG A 637 -14.485 -0.224 8.607 1.00 43.22 H new ATOM 0 HE ARG A 637 -14.255 1.399 6.136 1.00 23.12 H new ATOM 0 HH11 ARG A 637 -16.143 -0.748 8.215 1.00 74.21 H new ATOM 0 HH12 ARG A 637 -17.592 -0.642 7.210 1.00 74.21 H new ATOM 0 HH21 ARG A 637 -16.101 1.476 4.807 1.00 54.20 H new ATOM 0 HH22 ARG A 637 -17.566 0.613 5.288 1.00 54.20 H new ATOM 859 N VAL A 638 -11.436 1.857 11.490 1.00 25.12 N ATOM 860 CA VAL A 638 -10.432 1.112 12.229 1.00 40.10 C ATOM 861 C VAL A 638 -10.406 -0.322 11.692 1.00 61.35 C ATOM 862 O VAL A 638 -11.413 -0.799 11.162 1.00 54.42 O ATOM 863 CB VAL A 638 -10.774 1.075 13.758 1.00 3.11 C ATOM 864 CG1 VAL A 638 -9.700 0.356 14.567 1.00 33.13 C ATOM 865 CG2 VAL A 638 -11.008 2.470 14.310 1.00 43.23 C ATOM 0 H VAL A 638 -12.338 1.917 11.963 1.00 25.12 H new ATOM 0 HA VAL A 638 -9.464 1.597 12.103 1.00 40.10 H new ATOM 0 HB VAL A 638 -11.700 0.508 13.856 1.00 3.11 H new ATOM 0 HG11 VAL A 638 -9.978 0.354 15.621 1.00 33.13 H new ATOM 0 HG12 VAL A 638 -9.606 -0.671 14.215 1.00 33.13 H new ATOM 0 HG13 VAL A 638 -8.747 0.870 14.444 1.00 33.13 H new ATOM 0 HG21 VAL A 638 -11.243 2.406 15.373 1.00 43.23 H new ATOM 0 HG22 VAL A 638 -10.109 3.071 14.172 1.00 43.23 H new ATOM 0 HG23 VAL A 638 -11.840 2.935 13.782 1.00 43.23 H new ATOM 875 N ASN A 639 -9.247 -0.975 11.795 1.00 71.44 N ATOM 876 CA ASN A 639 -9.049 -2.382 11.405 1.00 10.42 C ATOM 877 C ASN A 639 -9.300 -2.530 9.895 1.00 55.20 C ATOM 878 O ASN A 639 -9.762 -3.565 9.399 1.00 63.32 O ATOM 879 CB ASN A 639 -9.999 -3.291 12.228 1.00 41.41 C ATOM 880 CG ASN A 639 -9.627 -4.785 12.224 1.00 13.14 C ATOM 881 OD1 ASN A 639 -9.019 -5.310 11.291 1.00 13.33 O ATOM 882 ND2 ASN A 639 -10.003 -5.477 13.268 1.00 24.20 N ATOM 0 H ASN A 639 -8.400 -0.537 12.158 1.00 71.44 H new ATOM 0 HA ASN A 639 -8.024 -2.689 11.615 1.00 10.42 H new ATOM 0 HB2 ASN A 639 -10.014 -2.938 13.259 1.00 41.41 H new ATOM 0 HB3 ASN A 639 -11.011 -3.182 11.839 1.00 41.41 H new ATOM 0 HD21 ASN A 639 -9.794 -6.474 13.322 1.00 24.20 H new ATOM 0 HD22 ASN A 639 -10.506 -5.020 14.029 1.00 24.20 H new ATOM 889 N ASP A 640 -8.996 -1.488 9.160 1.00 52.13 N ATOM 890 CA ASP A 640 -9.117 -1.560 7.734 1.00 35.53 C ATOM 891 C ASP A 640 -7.730 -1.868 7.188 1.00 2.44 C ATOM 892 O ASP A 640 -6.737 -1.387 7.748 1.00 35.33 O ATOM 893 CB ASP A 640 -9.655 -0.274 7.158 1.00 72.14 C ATOM 894 CG ASP A 640 -10.276 -0.518 5.812 1.00 11.20 C ATOM 895 OD1 ASP A 640 -11.510 -0.815 5.769 1.00 32.32 O ATOM 896 OD2 ASP A 640 -9.597 -0.441 4.833 1.00 3.54 O ATOM 0 H ASP A 640 -8.668 -0.594 9.524 1.00 52.13 H new ATOM 0 HA ASP A 640 -9.826 -2.338 7.451 1.00 35.53 H new ATOM 0 HB2 ASP A 640 -10.396 0.152 7.835 1.00 72.14 H new ATOM 0 HB3 ASP A 640 -8.850 0.455 7.067 1.00 72.14 H new ATOM 901 N GLN A 641 -7.646 -2.645 6.143 1.00 63.50 N ATOM 902 CA GLN A 641 -6.368 -3.171 5.683 1.00 75.13 C ATOM 903 C GLN A 641 -5.808 -2.314 4.508 1.00 4.31 C ATOM 904 O GLN A 641 -6.393 -2.254 3.445 1.00 11.44 O ATOM 905 CB GLN A 641 -6.599 -4.668 5.302 1.00 11.12 C ATOM 906 CG GLN A 641 -5.363 -5.587 5.220 1.00 22.43 C ATOM 907 CD GLN A 641 -4.420 -5.291 4.101 1.00 22.21 C ATOM 908 OE1 GLN A 641 -4.557 -5.832 3.010 1.00 11.13 O ATOM 909 NE2 GLN A 641 -3.452 -4.468 4.363 1.00 70.33 N ATOM 0 H GLN A 641 -8.448 -2.936 5.583 1.00 63.50 H new ATOM 0 HA GLN A 641 -5.607 -3.117 6.462 1.00 75.13 H new ATOM 0 HB2 GLN A 641 -7.288 -5.097 6.030 1.00 11.12 H new ATOM 0 HB3 GLN A 641 -7.101 -4.694 4.335 1.00 11.12 H new ATOM 0 HG2 GLN A 641 -4.817 -5.519 6.161 1.00 22.43 H new ATOM 0 HG3 GLN A 641 -5.703 -6.618 5.123 1.00 22.43 H new ATOM 0 HE21 GLN A 641 -3.380 -4.043 5.287 1.00 70.33 H new ATOM 0 HE22 GLN A 641 -2.763 -4.246 3.645 1.00 70.33 H new ATOM 918 N LEU A 642 -4.668 -1.661 4.743 1.00 32.44 N ATOM 919 CA LEU A 642 -4.018 -0.772 3.756 1.00 1.20 C ATOM 920 C LEU A 642 -3.307 -1.558 2.638 1.00 24.32 C ATOM 921 O LEU A 642 -2.432 -2.392 2.898 1.00 4.00 O ATOM 922 CB LEU A 642 -3.038 0.246 4.426 1.00 74.01 C ATOM 923 CG LEU A 642 -3.635 1.346 5.313 1.00 71.21 C ATOM 924 CD1 LEU A 642 -4.280 0.772 6.559 1.00 50.33 C ATOM 925 CD2 LEU A 642 -2.565 2.355 5.678 1.00 74.45 C ATOM 0 H LEU A 642 -4.161 -1.729 5.625 1.00 32.44 H new ATOM 0 HA LEU A 642 -4.824 -0.200 3.296 1.00 1.20 H new ATOM 0 HB2 LEU A 642 -2.329 -0.321 5.029 1.00 74.01 H new ATOM 0 HB3 LEU A 642 -2.467 0.730 3.634 1.00 74.01 H new ATOM 0 HG LEU A 642 -4.419 1.849 4.746 1.00 71.21 H new ATOM 0 HD11 LEU A 642 -4.691 1.582 7.162 1.00 50.33 H new ATOM 0 HD12 LEU A 642 -5.081 0.090 6.273 1.00 50.33 H new ATOM 0 HD13 LEU A 642 -3.533 0.231 7.139 1.00 50.33 H new ATOM 0 HD21 LEU A 642 -2.998 3.132 6.308 1.00 74.45 H new ATOM 0 HD22 LEU A 642 -1.762 1.854 6.219 1.00 74.45 H new ATOM 0 HD23 LEU A 642 -2.164 2.805 4.770 1.00 74.45 H new ATOM 937 N ILE A 643 -3.674 -1.252 1.407 1.00 3.32 N ATOM 938 CA ILE A 643 -3.197 -1.970 0.223 1.00 72.42 C ATOM 939 C ILE A 643 -2.114 -1.193 -0.512 1.00 61.34 C ATOM 940 O ILE A 643 -1.019 -1.709 -0.784 1.00 13.41 O ATOM 941 CB ILE A 643 -4.371 -2.168 -0.773 1.00 15.14 C ATOM 942 CG1 ILE A 643 -5.536 -2.875 -0.093 1.00 12.14 C ATOM 943 CG2 ILE A 643 -3.920 -2.948 -2.018 1.00 15.24 C ATOM 944 CD1 ILE A 643 -5.224 -4.279 0.366 1.00 2.42 C ATOM 0 H ILE A 643 -4.318 -0.491 1.191 1.00 3.32 H new ATOM 0 HA ILE A 643 -2.793 -2.922 0.568 1.00 72.42 H new ATOM 0 HB ILE A 643 -4.704 -1.182 -1.098 1.00 15.14 H new ATOM 0 HG12 ILE A 643 -5.852 -2.285 0.767 1.00 12.14 H new ATOM 0 HG13 ILE A 643 -6.379 -2.909 -0.783 1.00 12.14 H new ATOM 0 HG21 ILE A 643 -4.764 -3.070 -2.696 1.00 15.24 H new ATOM 0 HG22 ILE A 643 -3.125 -2.399 -2.523 1.00 15.24 H new ATOM 0 HG23 ILE A 643 -3.550 -3.929 -1.719 1.00 15.24 H new ATOM 0 HD11 ILE A 643 -6.106 -4.711 0.839 1.00 2.42 H new ATOM 0 HD12 ILE A 643 -4.938 -4.887 -0.492 1.00 2.42 H new ATOM 0 HD13 ILE A 643 -4.403 -4.254 1.083 1.00 2.42 H new ATOM 956 N ALA A 644 -2.424 0.030 -0.861 1.00 22.01 N ATOM 957 CA ALA A 644 -1.525 0.826 -1.662 1.00 75.15 C ATOM 958 C ALA A 644 -1.509 2.264 -1.210 1.00 20.53 C ATOM 959 O ALA A 644 -2.470 2.742 -0.596 1.00 74.35 O ATOM 960 CB ALA A 644 -1.923 0.735 -3.128 1.00 75.33 C ATOM 0 H ALA A 644 -3.293 0.498 -0.603 1.00 22.01 H new ATOM 0 HA ALA A 644 -0.517 0.431 -1.537 1.00 75.15 H new ATOM 0 HB1 ALA A 644 -1.241 1.338 -3.728 1.00 75.33 H new ATOM 0 HB2 ALA A 644 -1.873 -0.304 -3.455 1.00 75.33 H new ATOM 0 HB3 ALA A 644 -2.940 1.106 -3.252 1.00 75.33 H new ATOM 966 N VAL A 645 -0.438 2.946 -1.529 1.00 64.43 N ATOM 967 CA VAL A 645 -0.261 4.319 -1.149 1.00 45.54 C ATOM 968 C VAL A 645 0.316 5.132 -2.329 1.00 62.12 C ATOM 969 O VAL A 645 1.272 4.714 -2.973 1.00 54.14 O ATOM 970 CB VAL A 645 0.644 4.435 0.122 1.00 32.35 C ATOM 971 CG1 VAL A 645 2.028 3.827 -0.112 1.00 4.13 C ATOM 972 CG2 VAL A 645 0.754 5.875 0.593 1.00 3.20 C ATOM 0 H VAL A 645 0.339 2.558 -2.064 1.00 64.43 H new ATOM 0 HA VAL A 645 -1.235 4.737 -0.895 1.00 45.54 H new ATOM 0 HB VAL A 645 0.163 3.860 0.913 1.00 32.35 H new ATOM 0 HG11 VAL A 645 2.627 3.927 0.793 1.00 4.13 H new ATOM 0 HG12 VAL A 645 1.924 2.772 -0.364 1.00 4.13 H new ATOM 0 HG13 VAL A 645 2.521 4.349 -0.932 1.00 4.13 H new ATOM 0 HG21 VAL A 645 1.389 5.921 1.477 1.00 3.20 H new ATOM 0 HG22 VAL A 645 1.190 6.485 -0.199 1.00 3.20 H new ATOM 0 HG23 VAL A 645 -0.238 6.254 0.839 1.00 3.20 H new ATOM 982 N ASN A 646 -0.311 6.271 -2.609 1.00 15.30 N ATOM 983 CA ASN A 646 0.055 7.181 -3.721 1.00 63.11 C ATOM 984 C ASN A 646 0.151 6.520 -5.085 1.00 65.03 C ATOM 985 O ASN A 646 0.749 7.060 -6.007 1.00 53.14 O ATOM 986 CB ASN A 646 1.278 8.030 -3.384 1.00 51.30 C ATOM 987 CG ASN A 646 0.892 9.145 -2.445 1.00 40.14 C ATOM 988 OD1 ASN A 646 -0.218 9.640 -2.505 1.00 30.22 O ATOM 989 ND2 ASN A 646 1.770 9.541 -1.568 1.00 4.13 N ATOM 0 H ASN A 646 -1.106 6.606 -2.065 1.00 15.30 H new ATOM 0 HA ASN A 646 -0.793 7.858 -3.821 1.00 63.11 H new ATOM 0 HB2 ASN A 646 2.047 7.408 -2.926 1.00 51.30 H new ATOM 0 HB3 ASN A 646 1.705 8.445 -4.297 1.00 51.30 H new ATOM 0 HD21 ASN A 646 1.534 10.283 -0.910 1.00 4.13 H new ATOM 0 HD22 ASN A 646 2.693 9.109 -1.540 1.00 4.13 H new ATOM 996 N GLY A 647 -0.519 5.400 -5.230 1.00 22.42 N ATOM 997 CA GLY A 647 -0.506 4.691 -6.484 1.00 4.00 C ATOM 998 C GLY A 647 0.404 3.483 -6.468 1.00 70.52 C ATOM 999 O GLY A 647 0.349 2.654 -7.370 1.00 74.31 O ATOM 0 H GLY A 647 -1.077 4.963 -4.497 1.00 22.42 H new ATOM 0 HA2 GLY A 647 -1.520 4.373 -6.726 1.00 4.00 H new ATOM 0 HA3 GLY A 647 -0.187 5.369 -7.276 1.00 4.00 H new ATOM 1003 N GLU A 648 1.232 3.373 -5.462 1.00 2.05 N ATOM 1004 CA GLU A 648 2.139 2.262 -5.364 1.00 43.54 C ATOM 1005 C GLU A 648 1.596 1.247 -4.359 1.00 52.34 C ATOM 1006 O GLU A 648 1.268 1.600 -3.225 1.00 12.51 O ATOM 1007 CB GLU A 648 3.534 2.765 -4.970 1.00 61.44 C ATOM 1008 CG GLU A 648 4.583 1.681 -4.875 1.00 30.42 C ATOM 1009 CD GLU A 648 5.964 2.227 -4.624 1.00 73.14 C ATOM 1010 OE1 GLU A 648 6.688 2.519 -5.610 1.00 41.21 O ATOM 1011 OE2 GLU A 648 6.371 2.344 -3.464 1.00 51.32 O ATOM 0 H GLU A 648 1.296 4.043 -4.696 1.00 2.05 H new ATOM 0 HA GLU A 648 2.227 1.764 -6.330 1.00 43.54 H new ATOM 0 HB2 GLU A 648 3.860 3.506 -5.700 1.00 61.44 H new ATOM 0 HB3 GLU A 648 3.466 3.273 -4.008 1.00 61.44 H new ATOM 0 HG2 GLU A 648 4.317 0.994 -4.072 1.00 30.42 H new ATOM 0 HG3 GLU A 648 4.588 1.104 -5.800 1.00 30.42 H new ATOM 1018 N SER A 649 1.477 0.007 -4.782 1.00 22.22 N ATOM 1019 CA SER A 649 0.938 -1.035 -3.935 1.00 13.32 C ATOM 1020 C SER A 649 2.001 -1.645 -3.039 1.00 60.13 C ATOM 1021 O SER A 649 3.078 -2.040 -3.505 1.00 74.21 O ATOM 1022 CB SER A 649 0.218 -2.101 -4.776 1.00 74.42 C ATOM 1023 OG SER A 649 1.064 -2.633 -5.790 1.00 11.33 O ATOM 0 H SER A 649 1.748 -0.306 -5.714 1.00 22.22 H new ATOM 0 HA SER A 649 0.202 -0.578 -3.274 1.00 13.32 H new ATOM 0 HB2 SER A 649 -0.123 -2.907 -4.127 1.00 74.42 H new ATOM 0 HB3 SER A 649 -0.669 -1.664 -5.235 1.00 74.42 H new ATOM 0 HG SER A 649 0.574 -3.309 -6.304 1.00 11.33 H new ATOM 1029 N LEU A 650 1.697 -1.729 -1.762 1.00 35.14 N ATOM 1030 CA LEU A 650 2.626 -2.253 -0.797 1.00 13.31 C ATOM 1031 C LEU A 650 2.193 -3.593 -0.232 1.00 43.53 C ATOM 1032 O LEU A 650 2.875 -4.169 0.613 1.00 13.02 O ATOM 1033 CB LEU A 650 2.932 -1.218 0.302 1.00 14.13 C ATOM 1034 CG LEU A 650 1.743 -0.540 1.022 1.00 40.34 C ATOM 1035 CD1 LEU A 650 0.907 -1.512 1.840 1.00 72.31 C ATOM 1036 CD2 LEU A 650 2.239 0.576 1.888 1.00 4.02 C ATOM 0 H LEU A 650 0.802 -1.436 -1.369 1.00 35.14 H new ATOM 0 HA LEU A 650 3.559 -2.448 -1.326 1.00 13.31 H new ATOM 0 HB2 LEU A 650 3.544 -1.708 1.059 1.00 14.13 H new ATOM 0 HB3 LEU A 650 3.544 -0.433 -0.142 1.00 14.13 H new ATOM 0 HG LEU A 650 1.087 -0.144 0.247 1.00 40.34 H new ATOM 0 HD11 LEU A 650 0.089 -0.974 2.320 1.00 72.31 H new ATOM 0 HD12 LEU A 650 0.500 -2.282 1.185 1.00 72.31 H new ATOM 0 HD13 LEU A 650 1.532 -1.977 2.602 1.00 72.31 H new ATOM 0 HD21 LEU A 650 1.395 1.048 2.392 1.00 4.02 H new ATOM 0 HD22 LEU A 650 2.930 0.180 2.632 1.00 4.02 H new ATOM 0 HD23 LEU A 650 2.753 1.314 1.272 1.00 4.02 H new ATOM 1048 N LEU A 651 1.067 -4.095 -0.689 1.00 71.44 N ATOM 1049 CA LEU A 651 0.618 -5.390 -0.239 1.00 61.54 C ATOM 1050 C LEU A 651 1.354 -6.484 -0.999 1.00 33.42 C ATOM 1051 O LEU A 651 0.900 -6.967 -2.043 1.00 11.22 O ATOM 1052 CB LEU A 651 -0.907 -5.557 -0.347 1.00 63.50 C ATOM 1053 CG LEU A 651 -1.475 -6.890 0.178 1.00 11.24 C ATOM 1054 CD1 LEU A 651 -1.185 -7.060 1.665 1.00 31.23 C ATOM 1055 CD2 LEU A 651 -2.965 -6.978 -0.086 1.00 11.02 C ATOM 0 H LEU A 651 0.455 -3.633 -1.362 1.00 71.44 H new ATOM 0 HA LEU A 651 0.855 -5.475 0.822 1.00 61.54 H new ATOM 0 HB2 LEU A 651 -1.382 -4.742 0.198 1.00 63.50 H new ATOM 0 HB3 LEU A 651 -1.192 -5.449 -1.394 1.00 63.50 H new ATOM 0 HG LEU A 651 -0.981 -7.700 -0.358 1.00 11.24 H new ATOM 0 HD11 LEU A 651 -1.597 -8.009 2.010 1.00 31.23 H new ATOM 0 HD12 LEU A 651 -0.107 -7.051 1.829 1.00 31.23 H new ATOM 0 HD13 LEU A 651 -1.643 -6.242 2.221 1.00 31.23 H new ATOM 0 HD21 LEU A 651 -3.346 -7.927 0.292 1.00 11.02 H new ATOM 0 HD22 LEU A 651 -3.473 -6.156 0.418 1.00 11.02 H new ATOM 0 HD23 LEU A 651 -3.149 -6.915 -1.159 1.00 11.02 H new ATOM 1067 N GLY A 652 2.529 -6.779 -0.522 1.00 32.11 N ATOM 1068 CA GLY A 652 3.354 -7.803 -1.099 1.00 2.30 C ATOM 1069 C GLY A 652 4.741 -7.737 -0.531 1.00 23.54 C ATOM 1070 O GLY A 652 5.730 -7.981 -1.230 1.00 53.32 O ATOM 0 H GLY A 652 2.945 -6.313 0.284 1.00 32.11 H new ATOM 0 HA2 GLY A 652 2.920 -8.783 -0.902 1.00 2.30 H new ATOM 0 HA3 GLY A 652 3.391 -7.682 -2.182 1.00 2.30 H new ATOM 1074 N LYS A 653 4.809 -7.406 0.739 1.00 14.13 N ATOM 1075 CA LYS A 653 6.049 -7.241 1.472 1.00 31.03 C ATOM 1076 C LYS A 653 5.718 -7.329 2.951 1.00 34.31 C ATOM 1077 O LYS A 653 4.546 -7.520 3.300 1.00 43.52 O ATOM 1078 CB LYS A 653 6.702 -5.882 1.128 1.00 2.24 C ATOM 1079 CG LYS A 653 5.807 -4.685 1.415 1.00 33.22 C ATOM 1080 CD LYS A 653 6.421 -3.316 1.054 1.00 51.12 C ATOM 1081 CE LYS A 653 6.694 -3.110 -0.447 1.00 42.45 C ATOM 1082 NZ LYS A 653 7.870 -3.858 -0.960 1.00 74.43 N ATOM 0 H LYS A 653 3.980 -7.239 1.309 1.00 14.13 H new ATOM 0 HA LYS A 653 6.764 -8.018 1.201 1.00 31.03 H new ATOM 0 HB2 LYS A 653 7.626 -5.778 1.697 1.00 2.24 H new ATOM 0 HB3 LYS A 653 6.975 -5.876 0.073 1.00 2.24 H new ATOM 0 HG2 LYS A 653 4.875 -4.806 0.864 1.00 33.22 H new ATOM 0 HG3 LYS A 653 5.553 -4.685 2.475 1.00 33.22 H new ATOM 0 HD2 LYS A 653 5.750 -2.530 1.399 1.00 51.12 H new ATOM 0 HD3 LYS A 653 7.357 -3.198 1.599 1.00 51.12 H new ATOM 0 HE2 LYS A 653 5.811 -3.412 -1.010 1.00 42.45 H new ATOM 0 HE3 LYS A 653 6.843 -2.047 -0.635 1.00 42.45 H new ATOM 0 HZ1 LYS A 653 8.477 -3.216 -1.509 1.00 74.43 H new ATOM 0 HZ2 LYS A 653 8.410 -4.246 -0.161 1.00 74.43 H new ATOM 0 HZ3 LYS A 653 7.547 -4.636 -1.570 1.00 74.43 H new ATOM 1096 N ALA A 654 6.708 -7.209 3.807 1.00 22.23 N ATOM 1097 CA ALA A 654 6.482 -7.302 5.243 1.00 34.41 C ATOM 1098 C ALA A 654 5.808 -6.046 5.771 1.00 25.24 C ATOM 1099 O ALA A 654 5.801 -5.003 5.104 1.00 2.52 O ATOM 1100 CB ALA A 654 7.778 -7.582 5.988 1.00 1.21 C ATOM 0 H ALA A 654 7.679 -7.047 3.540 1.00 22.23 H new ATOM 0 HA ALA A 654 5.811 -8.142 5.420 1.00 34.41 H new ATOM 0 HB1 ALA A 654 7.577 -7.646 7.057 1.00 1.21 H new ATOM 0 HB2 ALA A 654 8.200 -8.525 5.641 1.00 1.21 H new ATOM 0 HB3 ALA A 654 8.487 -6.776 5.800 1.00 1.21 H new ATOM 1106 N ASN A 655 5.276 -6.141 6.974 1.00 21.12 N ATOM 1107 CA ASN A 655 4.507 -5.064 7.592 1.00 24.13 C ATOM 1108 C ASN A 655 5.368 -3.831 7.783 1.00 0.33 C ATOM 1109 O ASN A 655 4.969 -2.716 7.437 1.00 52.22 O ATOM 1110 CB ASN A 655 3.963 -5.521 8.943 1.00 25.21 C ATOM 1111 CG ASN A 655 3.219 -6.833 8.859 1.00 21.30 C ATOM 1112 OD1 ASN A 655 3.813 -7.891 8.986 1.00 75.44 O ATOM 1113 ND2 ASN A 655 1.933 -6.787 8.636 1.00 3.03 N ATOM 0 H ASN A 655 5.363 -6.972 7.559 1.00 21.12 H new ATOM 0 HA ASN A 655 3.677 -4.813 6.931 1.00 24.13 H new ATOM 0 HB2 ASN A 655 4.789 -5.621 9.647 1.00 25.21 H new ATOM 0 HB3 ASN A 655 3.297 -4.755 9.340 1.00 25.21 H new ATOM 0 HD21 ASN A 655 1.397 -7.652 8.563 1.00 3.03 H new ATOM 0 HD22 ASN A 655 1.465 -5.886 8.534 1.00 3.03 H new ATOM 1120 N GLN A 656 6.556 -4.036 8.319 1.00 75.54 N ATOM 1121 CA GLN A 656 7.501 -2.954 8.523 1.00 62.14 C ATOM 1122 C GLN A 656 7.887 -2.309 7.193 1.00 3.35 C ATOM 1123 O GLN A 656 7.952 -1.096 7.092 1.00 3.32 O ATOM 1124 CB GLN A 656 8.733 -3.442 9.296 1.00 12.24 C ATOM 1125 CG GLN A 656 9.432 -4.638 8.672 1.00 64.51 C ATOM 1126 CD GLN A 656 10.613 -5.108 9.484 1.00 33.31 C ATOM 1127 OE1 GLN A 656 11.737 -4.670 9.273 1.00 74.23 O ATOM 1128 NE2 GLN A 656 10.364 -5.993 10.420 1.00 71.10 N ATOM 0 H GLN A 656 6.892 -4.950 8.623 1.00 75.54 H new ATOM 0 HA GLN A 656 7.018 -2.188 9.129 1.00 62.14 H new ATOM 0 HB2 GLN A 656 9.446 -2.621 9.376 1.00 12.24 H new ATOM 0 HB3 GLN A 656 8.431 -3.702 10.311 1.00 12.24 H new ATOM 0 HG2 GLN A 656 8.720 -5.456 8.566 1.00 64.51 H new ATOM 0 HG3 GLN A 656 9.767 -4.376 7.669 1.00 64.51 H new ATOM 0 HE21 GLN A 656 9.412 -6.331 10.562 1.00 71.10 H new ATOM 0 HE22 GLN A 656 11.122 -6.343 11.006 1.00 71.10 H new ATOM 1137 N GLU A 657 8.074 -3.138 6.168 1.00 22.24 N ATOM 1138 CA GLU A 657 8.427 -2.664 4.834 1.00 11.31 C ATOM 1139 C GLU A 657 7.317 -1.784 4.294 1.00 23.14 C ATOM 1140 O GLU A 657 7.566 -0.709 3.744 1.00 61.31 O ATOM 1141 CB GLU A 657 8.591 -3.839 3.887 1.00 30.20 C ATOM 1142 CG GLU A 657 9.679 -4.831 4.264 1.00 13.42 C ATOM 1143 CD GLU A 657 11.049 -4.214 4.278 1.00 41.42 C ATOM 1144 OE1 GLU A 657 11.499 -3.728 3.226 1.00 13.54 O ATOM 1145 OE2 GLU A 657 11.706 -4.232 5.336 1.00 23.21 O ATOM 0 H GLU A 657 7.985 -4.152 6.239 1.00 22.24 H new ATOM 0 HA GLU A 657 9.360 -2.105 4.905 1.00 11.31 H new ATOM 0 HB2 GLU A 657 7.642 -4.371 3.827 1.00 30.20 H new ATOM 0 HB3 GLU A 657 8.803 -3.454 2.890 1.00 30.20 H new ATOM 0 HG2 GLU A 657 9.462 -5.245 5.249 1.00 13.42 H new ATOM 0 HG3 GLU A 657 9.667 -5.662 3.559 1.00 13.42 H new ATOM 1152 N ALA A 658 6.094 -2.255 4.464 1.00 71.34 N ATOM 1153 CA ALA A 658 4.912 -1.565 4.006 1.00 65.44 C ATOM 1154 C ALA A 658 4.795 -0.195 4.645 1.00 15.13 C ATOM 1155 O ALA A 658 4.549 0.797 3.968 1.00 24.34 O ATOM 1156 CB ALA A 658 3.681 -2.397 4.297 1.00 35.42 C ATOM 0 H ALA A 658 5.897 -3.140 4.931 1.00 71.34 H new ATOM 0 HA ALA A 658 4.994 -1.421 2.929 1.00 65.44 H new ATOM 0 HB1 ALA A 658 2.794 -1.869 3.948 1.00 35.42 H new ATOM 0 HB2 ALA A 658 3.759 -3.355 3.782 1.00 35.42 H new ATOM 0 HB3 ALA A 658 3.603 -2.568 5.371 1.00 35.42 H new ATOM 1162 N MET A 659 5.007 -0.118 5.932 1.00 2.20 N ATOM 1163 CA MET A 659 4.892 1.156 6.597 1.00 53.15 C ATOM 1164 C MET A 659 6.060 2.079 6.292 1.00 32.31 C ATOM 1165 O MET A 659 5.897 3.293 6.285 1.00 3.34 O ATOM 1166 CB MET A 659 4.550 1.031 8.068 1.00 70.24 C ATOM 1167 CG MET A 659 3.247 0.267 8.276 1.00 31.30 C ATOM 1168 SD MET A 659 2.518 0.453 9.907 1.00 75.51 S ATOM 1169 CE MET A 659 3.918 0.114 10.916 1.00 75.25 C ATOM 0 H MET A 659 5.255 -0.904 6.532 1.00 2.20 H new ATOM 0 HA MET A 659 4.024 1.656 6.167 1.00 53.15 H new ATOM 0 HB2 MET A 659 5.360 0.520 8.589 1.00 70.24 H new ATOM 0 HB3 MET A 659 4.465 2.024 8.508 1.00 70.24 H new ATOM 0 HG2 MET A 659 2.524 0.599 7.530 1.00 31.30 H new ATOM 0 HG3 MET A 659 3.430 -0.792 8.094 1.00 31.30 H new ATOM 0 HE1 MET A 659 3.605 0.030 11.957 1.00 75.25 H new ATOM 0 HE2 MET A 659 4.377 -0.822 10.598 1.00 75.25 H new ATOM 0 HE3 MET A 659 4.641 0.924 10.819 1.00 75.25 H new ATOM 1179 N GLU A 660 7.229 1.510 6.005 1.00 75.32 N ATOM 1180 CA GLU A 660 8.347 2.320 5.513 1.00 53.31 C ATOM 1181 C GLU A 660 7.977 2.889 4.152 1.00 75.42 C ATOM 1182 O GLU A 660 8.264 4.051 3.846 1.00 53.01 O ATOM 1183 CB GLU A 660 9.636 1.509 5.399 1.00 71.43 C ATOM 1184 CG GLU A 660 10.172 1.002 6.717 1.00 44.31 C ATOM 1185 CD GLU A 660 10.484 2.107 7.686 1.00 64.32 C ATOM 1186 OE1 GLU A 660 11.598 2.663 7.622 1.00 4.03 O ATOM 1187 OE2 GLU A 660 9.635 2.416 8.552 1.00 25.24 O ATOM 0 H GLU A 660 7.427 0.514 6.101 1.00 75.32 H new ATOM 0 HA GLU A 660 8.530 3.121 6.229 1.00 53.31 H new ATOM 0 HB2 GLU A 660 9.459 0.658 4.741 1.00 71.43 H new ATOM 0 HB3 GLU A 660 10.398 2.126 4.924 1.00 71.43 H new ATOM 0 HG2 GLU A 660 9.442 0.328 7.165 1.00 44.31 H new ATOM 0 HG3 GLU A 660 11.075 0.419 6.536 1.00 44.31 H new ATOM 1194 N THR A 661 7.303 2.063 3.352 1.00 15.33 N ATOM 1195 CA THR A 661 6.810 2.471 2.056 1.00 64.44 C ATOM 1196 C THR A 661 5.815 3.631 2.233 1.00 50.30 C ATOM 1197 O THR A 661 5.856 4.609 1.490 1.00 34.13 O ATOM 1198 CB THR A 661 6.133 1.281 1.309 1.00 43.23 C ATOM 1199 OG1 THR A 661 7.068 0.194 1.180 1.00 41.52 O ATOM 1200 CG2 THR A 661 5.661 1.700 -0.081 1.00 21.42 C ATOM 0 H THR A 661 7.089 1.095 3.593 1.00 15.33 H new ATOM 0 HA THR A 661 7.653 2.803 1.449 1.00 64.44 H new ATOM 0 HB THR A 661 5.267 0.965 1.892 1.00 43.23 H new ATOM 0 HG1 THR A 661 7.194 -0.234 2.052 1.00 41.52 H new ATOM 0 HG21 THR A 661 5.193 0.850 -0.578 1.00 21.42 H new ATOM 0 HG22 THR A 661 4.938 2.511 0.009 1.00 21.42 H new ATOM 0 HG23 THR A 661 6.514 2.039 -0.668 1.00 21.42 H new ATOM 1208 N LEU A 662 4.945 3.522 3.245 1.00 34.42 N ATOM 1209 CA LEU A 662 4.002 4.596 3.586 1.00 33.35 C ATOM 1210 C LEU A 662 4.746 5.872 3.893 1.00 40.22 C ATOM 1211 O LEU A 662 4.486 6.899 3.275 1.00 1.22 O ATOM 1212 CB LEU A 662 3.117 4.224 4.790 1.00 53.32 C ATOM 1213 CG LEU A 662 2.117 3.084 4.610 1.00 71.21 C ATOM 1214 CD1 LEU A 662 1.430 2.784 5.930 1.00 63.13 C ATOM 1215 CD2 LEU A 662 1.077 3.464 3.577 1.00 53.04 C ATOM 0 H LEU A 662 4.874 2.699 3.843 1.00 34.42 H new ATOM 0 HA LEU A 662 3.357 4.742 2.719 1.00 33.35 H new ATOM 0 HB2 LEU A 662 3.773 3.967 5.622 1.00 53.32 H new ATOM 0 HB3 LEU A 662 2.561 5.114 5.086 1.00 53.32 H new ATOM 0 HG LEU A 662 2.654 2.198 4.272 1.00 71.21 H new ATOM 0 HD11 LEU A 662 0.718 1.970 5.793 1.00 63.13 H new ATOM 0 HD12 LEU A 662 2.175 2.494 6.670 1.00 63.13 H new ATOM 0 HD13 LEU A 662 0.902 3.673 6.276 1.00 63.13 H new ATOM 0 HD21 LEU A 662 0.368 2.645 3.456 1.00 53.04 H new ATOM 0 HD22 LEU A 662 0.546 4.357 3.907 1.00 53.04 H new ATOM 0 HD23 LEU A 662 1.567 3.664 2.624 1.00 53.04 H new ATOM 1227 N ARG A 663 5.707 5.783 4.818 1.00 72.30 N ATOM 1228 CA ARG A 663 6.509 6.942 5.254 1.00 52.41 C ATOM 1229 C ARG A 663 7.165 7.624 4.057 1.00 34.23 C ATOM 1230 O ARG A 663 7.142 8.857 3.929 1.00 71.11 O ATOM 1231 CB ARG A 663 7.605 6.487 6.232 1.00 23.33 C ATOM 1232 CG ARG A 663 7.079 5.895 7.520 1.00 60.34 C ATOM 1233 CD ARG A 663 8.191 5.305 8.381 1.00 55.31 C ATOM 1234 NE ARG A 663 9.169 6.296 8.862 1.00 22.50 N ATOM 1235 CZ ARG A 663 10.324 5.965 9.477 1.00 71.52 C ATOM 1236 NH1 ARG A 663 10.694 4.691 9.573 1.00 71.22 N ATOM 1237 NH2 ARG A 663 11.114 6.903 9.969 1.00 1.40 N ATOM 0 H ARG A 663 5.954 4.911 5.287 1.00 72.30 H new ATOM 0 HA ARG A 663 5.842 7.648 5.748 1.00 52.41 H new ATOM 0 HB2 ARG A 663 8.235 5.748 5.736 1.00 23.33 H new ATOM 0 HB3 ARG A 663 8.241 7.340 6.470 1.00 23.33 H new ATOM 0 HG2 ARG A 663 6.555 6.666 8.085 1.00 60.34 H new ATOM 0 HG3 ARG A 663 6.350 5.118 7.289 1.00 60.34 H new ATOM 0 HD2 ARG A 663 7.744 4.805 9.240 1.00 55.31 H new ATOM 0 HD3 ARG A 663 8.716 4.542 7.806 1.00 55.31 H new ATOM 0 HE ARG A 663 8.962 7.285 8.723 1.00 22.50 H new ATOM 0 HH11 ARG A 663 10.104 3.958 9.181 1.00 71.22 H new ATOM 0 HH12 ARG A 663 11.568 4.448 10.039 1.00 71.22 H new ATOM 0 HH21 ARG A 663 10.853 7.885 9.885 1.00 1.40 H new ATOM 0 HH22 ARG A 663 11.985 6.645 10.432 1.00 1.40 H new ATOM 1251 N ARG A 664 7.727 6.823 3.184 1.00 2.44 N ATOM 1252 CA ARG A 664 8.395 7.318 2.000 1.00 20.43 C ATOM 1253 C ARG A 664 7.408 7.937 1.032 1.00 63.35 C ATOM 1254 O ARG A 664 7.577 9.058 0.612 1.00 61.41 O ATOM 1255 CB ARG A 664 9.157 6.191 1.309 1.00 43.22 C ATOM 1256 CG ARG A 664 9.922 6.635 0.086 1.00 12.04 C ATOM 1257 CD ARG A 664 10.544 5.462 -0.636 1.00 14.12 C ATOM 1258 NE ARG A 664 11.290 5.895 -1.815 1.00 11.31 N ATOM 1259 CZ ARG A 664 11.183 5.358 -3.038 1.00 70.22 C ATOM 1260 NH1 ARG A 664 10.273 4.426 -3.285 1.00 4.52 N ATOM 1261 NH2 ARG A 664 11.972 5.783 -4.016 1.00 3.33 N ATOM 0 H ARG A 664 7.735 5.807 3.273 1.00 2.44 H new ATOM 0 HA ARG A 664 9.099 8.089 2.314 1.00 20.43 H new ATOM 0 HB2 ARG A 664 9.853 5.746 2.020 1.00 43.22 H new ATOM 0 HB3 ARG A 664 8.452 5.411 1.022 1.00 43.22 H new ATOM 0 HG2 ARG A 664 9.252 7.166 -0.590 1.00 12.04 H new ATOM 0 HG3 ARG A 664 10.702 7.338 0.379 1.00 12.04 H new ATOM 0 HD2 ARG A 664 11.210 4.928 0.042 1.00 14.12 H new ATOM 0 HD3 ARG A 664 9.764 4.762 -0.934 1.00 14.12 H new ATOM 0 HE ARG A 664 11.945 6.668 -1.698 1.00 11.31 H new ATOM 0 HH11 ARG A 664 9.649 4.113 -2.542 1.00 4.52 H new ATOM 0 HH12 ARG A 664 10.197 4.022 -4.218 1.00 4.52 H new ATOM 0 HH21 ARG A 664 12.658 6.516 -3.836 1.00 3.33 H new ATOM 0 HH22 ARG A 664 11.893 5.376 -4.948 1.00 3.33 H new ATOM 1275 N SER A 665 6.364 7.229 0.731 1.00 13.14 N ATOM 1276 CA SER A 665 5.432 7.656 -0.275 1.00 24.33 C ATOM 1277 C SER A 665 4.659 8.883 0.162 1.00 74.25 C ATOM 1278 O SER A 665 4.402 9.762 -0.638 1.00 13.40 O ATOM 1279 CB SER A 665 4.484 6.521 -0.629 1.00 45.42 C ATOM 1280 OG SER A 665 5.216 5.365 -0.985 1.00 70.50 O ATOM 0 H SER A 665 6.131 6.340 1.173 1.00 13.14 H new ATOM 0 HA SER A 665 6.001 7.930 -1.163 1.00 24.33 H new ATOM 0 HB2 SER A 665 3.835 6.302 0.219 1.00 45.42 H new ATOM 0 HB3 SER A 665 3.839 6.821 -1.455 1.00 45.42 H new ATOM 0 HG SER A 665 5.470 4.876 -0.175 1.00 70.50 H new ATOM 1286 N MET A 666 4.319 8.961 1.433 1.00 4.11 N ATOM 1287 CA MET A 666 3.549 10.093 1.930 1.00 34.35 C ATOM 1288 C MET A 666 4.394 11.362 1.944 1.00 64.23 C ATOM 1289 O MET A 666 3.867 12.468 1.896 1.00 32.22 O ATOM 1290 CB MET A 666 2.957 9.811 3.320 1.00 73.31 C ATOM 1291 CG MET A 666 3.970 9.712 4.445 1.00 44.01 C ATOM 1292 SD MET A 666 3.227 9.256 6.002 1.00 33.10 S ATOM 1293 CE MET A 666 1.916 10.472 6.114 1.00 61.45 C ATOM 0 H MET A 666 4.559 8.264 2.138 1.00 4.11 H new ATOM 0 HA MET A 666 2.715 10.247 1.246 1.00 34.35 H new ATOM 0 HB2 MET A 666 2.246 10.601 3.561 1.00 73.31 H new ATOM 0 HB3 MET A 666 2.395 8.878 3.276 1.00 73.31 H new ATOM 0 HG2 MET A 666 4.730 8.977 4.181 1.00 44.01 H new ATOM 0 HG3 MET A 666 4.478 10.670 4.556 1.00 44.01 H new ATOM 0 HE1 MET A 666 1.555 10.525 7.141 1.00 61.45 H new ATOM 0 HE2 MET A 666 2.298 11.448 5.813 1.00 61.45 H new ATOM 0 HE3 MET A 666 1.096 10.185 5.456 1.00 61.45 H new ATOM 1303 N SER A 667 5.698 11.196 2.000 1.00 4.35 N ATOM 1304 CA SER A 667 6.591 12.315 1.970 1.00 14.40 C ATOM 1305 C SER A 667 7.024 12.605 0.528 1.00 54.14 C ATOM 1306 O SER A 667 6.756 13.692 -0.005 1.00 71.34 O ATOM 1307 CB SER A 667 7.809 12.045 2.867 1.00 24.12 C ATOM 1308 OG SER A 667 8.709 13.141 2.874 1.00 30.23 O ATOM 0 H SER A 667 6.157 10.288 2.067 1.00 4.35 H new ATOM 0 HA SER A 667 6.074 13.194 2.354 1.00 14.40 H new ATOM 0 HB2 SER A 667 7.474 11.843 3.884 1.00 24.12 H new ATOM 0 HB3 SER A 667 8.327 11.151 2.518 1.00 24.12 H new ATOM 0 HG SER A 667 9.470 12.935 3.456 1.00 30.23 H new ATOM 1314 N THR A 668 7.607 11.595 -0.119 1.00 52.21 N ATOM 1315 CA THR A 668 8.174 11.737 -1.443 1.00 52.25 C ATOM 1316 C THR A 668 7.090 11.990 -2.494 1.00 23.24 C ATOM 1317 O THR A 668 7.146 12.978 -3.246 1.00 50.42 O ATOM 1318 CB THR A 668 9.001 10.488 -1.784 1.00 71.32 C ATOM 1319 OG1 THR A 668 10.003 10.294 -0.759 1.00 62.01 O ATOM 1320 CG2 THR A 668 9.686 10.614 -3.133 1.00 44.01 C ATOM 0 H THR A 668 7.695 10.656 0.269 1.00 52.21 H new ATOM 0 HA THR A 668 8.830 12.608 -1.450 1.00 52.25 H new ATOM 0 HB THR A 668 8.323 9.636 -1.831 1.00 71.32 H new ATOM 0 HG1 THR A 668 9.594 9.863 0.021 1.00 62.01 H new ATOM 0 HG21 THR A 668 10.260 9.710 -3.335 1.00 44.01 H new ATOM 0 HG22 THR A 668 8.935 10.749 -3.911 1.00 44.01 H new ATOM 0 HG23 THR A 668 10.356 11.474 -3.122 1.00 44.01 H new ATOM 1328 N GLU A 669 6.103 11.136 -2.526 1.00 34.04 N ATOM 1329 CA GLU A 669 5.007 11.307 -3.469 1.00 25.14 C ATOM 1330 C GLU A 669 3.986 12.300 -2.958 1.00 31.13 C ATOM 1331 O GLU A 669 3.517 13.137 -3.705 1.00 22.45 O ATOM 1332 CB GLU A 669 4.334 9.980 -3.812 1.00 1.42 C ATOM 1333 CG GLU A 669 5.166 9.067 -4.673 1.00 1.04 C ATOM 1334 CD GLU A 669 5.455 9.689 -6.015 1.00 41.14 C ATOM 1335 OE1 GLU A 669 4.560 9.726 -6.866 1.00 23.41 O ATOM 1336 OE2 GLU A 669 6.581 10.173 -6.222 1.00 74.21 O ATOM 0 H GLU A 669 6.026 10.319 -1.920 1.00 34.04 H new ATOM 0 HA GLU A 669 5.444 11.705 -4.385 1.00 25.14 H new ATOM 0 HB2 GLU A 669 4.087 9.461 -2.886 1.00 1.42 H new ATOM 0 HB3 GLU A 669 3.393 10.185 -4.323 1.00 1.42 H new ATOM 0 HG2 GLU A 669 6.104 8.841 -4.166 1.00 1.04 H new ATOM 0 HG3 GLU A 669 4.643 8.121 -4.814 1.00 1.04 H new ATOM 1343 N GLY A 670 3.684 12.220 -1.672 1.00 74.31 N ATOM 1344 CA GLY A 670 2.666 13.068 -1.052 1.00 74.11 C ATOM 1345 C GLY A 670 2.859 14.549 -1.316 1.00 55.35 C ATOM 1346 O GLY A 670 1.942 15.224 -1.793 1.00 63.44 O ATOM 0 H GLY A 670 4.133 11.570 -1.027 1.00 74.31 H new ATOM 0 HA2 GLY A 670 1.684 12.768 -1.419 1.00 74.11 H new ATOM 0 HA3 GLY A 670 2.670 12.897 0.024 1.00 74.11 H new ATOM 1350 N ASN A 671 4.059 15.044 -1.061 1.00 24.44 N ATOM 1351 CA ASN A 671 4.347 16.471 -1.239 1.00 51.31 C ATOM 1352 C ASN A 671 4.492 16.856 -2.704 1.00 75.12 C ATOM 1353 O ASN A 671 4.593 18.036 -3.034 1.00 54.23 O ATOM 1354 CB ASN A 671 5.583 16.921 -0.441 1.00 43.33 C ATOM 1355 CG ASN A 671 5.396 16.832 1.063 1.00 51.42 C ATOM 1356 OD1 ASN A 671 4.926 17.775 1.702 1.00 42.30 O ATOM 1357 ND2 ASN A 671 5.788 15.731 1.639 1.00 52.00 N ATOM 0 H ASN A 671 4.849 14.489 -0.732 1.00 24.44 H new ATOM 0 HA ASN A 671 3.480 16.999 -0.841 1.00 51.31 H new ATOM 0 HB2 ASN A 671 6.436 16.307 -0.730 1.00 43.33 H new ATOM 0 HB3 ASN A 671 5.825 17.949 -0.709 1.00 43.33 H new ATOM 0 HD21 ASN A 671 5.711 15.629 2.651 1.00 52.00 H new ATOM 0 HD22 ASN A 671 6.172 14.971 1.078 1.00 52.00 H new ATOM 1364 N LYS A 672 4.506 15.871 -3.582 1.00 4.45 N ATOM 1365 CA LYS A 672 4.600 16.126 -5.013 1.00 3.44 C ATOM 1366 C LYS A 672 3.203 16.109 -5.633 1.00 40.53 C ATOM 1367 O LYS A 672 2.832 16.995 -6.411 1.00 61.42 O ATOM 1368 CB LYS A 672 5.485 15.074 -5.698 1.00 23.11 C ATOM 1369 CG LYS A 672 5.599 15.266 -7.203 1.00 62.22 C ATOM 1370 CD LYS A 672 6.440 14.182 -7.857 1.00 72.25 C ATOM 1371 CE LYS A 672 6.516 14.400 -9.359 1.00 24.22 C ATOM 1372 NZ LYS A 672 7.299 13.355 -10.050 1.00 15.14 N ATOM 0 H LYS A 672 4.453 14.884 -3.332 1.00 4.45 H new ATOM 0 HA LYS A 672 5.053 17.106 -5.160 1.00 3.44 H new ATOM 0 HB2 LYS A 672 6.482 15.107 -5.259 1.00 23.11 H new ATOM 0 HB3 LYS A 672 5.080 14.082 -5.496 1.00 23.11 H new ATOM 0 HG2 LYS A 672 4.602 15.266 -7.644 1.00 62.22 H new ATOM 0 HG3 LYS A 672 6.040 16.241 -7.411 1.00 62.22 H new ATOM 0 HD2 LYS A 672 7.444 14.186 -7.432 1.00 72.25 H new ATOM 0 HD3 LYS A 672 6.009 13.203 -7.647 1.00 72.25 H new ATOM 0 HE2 LYS A 672 5.507 14.423 -9.770 1.00 24.22 H new ATOM 0 HE3 LYS A 672 6.963 15.374 -9.558 1.00 24.22 H new ATOM 0 HZ1 LYS A 672 7.318 13.553 -11.071 1.00 15.14 H new ATOM 0 HZ2 LYS A 672 8.271 13.348 -9.681 1.00 15.14 H new ATOM 0 HZ3 LYS A 672 6.860 12.427 -9.886 1.00 15.14 H new ATOM 1386 N ARG A 673 2.435 15.104 -5.268 1.00 3.12 N ATOM 1387 CA ARG A 673 1.092 14.907 -5.779 1.00 55.52 C ATOM 1388 C ARG A 673 0.151 15.980 -5.229 1.00 44.42 C ATOM 1389 O ARG A 673 -0.819 16.356 -5.879 1.00 25.33 O ATOM 1390 CB ARG A 673 0.571 13.522 -5.368 1.00 44.15 C ATOM 1391 CG ARG A 673 1.415 12.335 -5.842 1.00 71.20 C ATOM 1392 CD ARG A 673 1.445 12.193 -7.355 1.00 30.15 C ATOM 1393 NE ARG A 673 2.310 11.079 -7.762 1.00 44.53 N ATOM 1394 CZ ARG A 673 2.215 10.386 -8.894 1.00 14.31 C ATOM 1395 NH1 ARG A 673 1.240 10.630 -9.773 1.00 22.41 N ATOM 1396 NH2 ARG A 673 3.099 9.432 -9.130 1.00 63.12 N ATOM 0 H ARG A 673 2.728 14.391 -4.600 1.00 3.12 H new ATOM 0 HA ARG A 673 1.124 14.979 -6.866 1.00 55.52 H new ATOM 0 HB2 ARG A 673 0.503 13.486 -4.281 1.00 44.15 H new ATOM 0 HB3 ARG A 673 -0.441 13.404 -5.755 1.00 44.15 H new ATOM 0 HG2 ARG A 673 2.434 12.451 -5.473 1.00 71.20 H new ATOM 0 HG3 ARG A 673 1.020 11.418 -5.404 1.00 71.20 H new ATOM 0 HD2 ARG A 673 0.434 12.028 -7.728 1.00 30.15 H new ATOM 0 HD3 ARG A 673 1.804 13.119 -7.804 1.00 30.15 H new ATOM 0 HE ARG A 673 3.053 10.811 -7.117 1.00 44.53 H new ATOM 0 HH11 ARG A 673 0.552 11.358 -9.582 1.00 22.41 H new ATOM 0 HH12 ARG A 673 1.184 10.088 -10.635 1.00 22.41 H new ATOM 0 HH21 ARG A 673 3.835 9.239 -8.451 1.00 63.12 H new ATOM 0 HH22 ARG A 673 3.045 8.888 -9.991 1.00 63.12 H new ATOM 1410 N GLY A 674 0.439 16.444 -4.016 1.00 71.44 N ATOM 1411 CA GLY A 674 -0.378 17.466 -3.376 1.00 50.22 C ATOM 1412 C GLY A 674 -1.394 16.842 -2.448 1.00 43.24 C ATOM 1413 O GLY A 674 -1.899 17.474 -1.511 1.00 53.54 O ATOM 0 H GLY A 674 1.232 16.127 -3.458 1.00 71.44 H new ATOM 0 HA2 GLY A 674 0.260 18.149 -2.816 1.00 50.22 H new ATOM 0 HA3 GLY A 674 -0.889 18.057 -4.136 1.00 50.22 H new ATOM 1417 N MET A 675 -1.677 15.609 -2.721 1.00 42.50 N ATOM 1418 CA MET A 675 -2.586 14.813 -1.970 1.00 2.22 C ATOM 1419 C MET A 675 -2.076 13.405 -1.977 1.00 41.33 C ATOM 1420 O MET A 675 -1.353 13.003 -2.897 1.00 12.25 O ATOM 1421 CB MET A 675 -4.015 14.871 -2.556 1.00 13.04 C ATOM 1422 CG MET A 675 -4.125 14.437 -4.012 1.00 54.43 C ATOM 1423 SD MET A 675 -5.821 14.480 -4.644 1.00 71.01 S ATOM 1424 CE MET A 675 -6.240 16.216 -4.413 1.00 25.30 C ATOM 0 H MET A 675 -1.262 15.110 -3.508 1.00 42.50 H new ATOM 0 HA MET A 675 -2.647 15.196 -0.951 1.00 2.22 H new ATOM 0 HB2 MET A 675 -4.666 14.239 -1.953 1.00 13.04 H new ATOM 0 HB3 MET A 675 -4.389 15.891 -2.466 1.00 13.04 H new ATOM 0 HG2 MET A 675 -3.499 15.085 -4.626 1.00 54.43 H new ATOM 0 HG3 MET A 675 -3.732 13.425 -4.113 1.00 54.43 H new ATOM 0 HE1 MET A 675 -7.092 16.472 -5.043 1.00 25.30 H new ATOM 0 HE2 MET A 675 -6.496 16.393 -3.368 1.00 25.30 H new ATOM 0 HE3 MET A 675 -5.386 16.836 -4.687 1.00 25.30 H new ATOM 1434 N ILE A 676 -2.438 12.670 -1.000 1.00 2.11 N ATOM 1435 CA ILE A 676 -2.009 11.337 -0.870 1.00 34.42 C ATOM 1436 C ILE A 676 -3.161 10.381 -1.100 1.00 42.14 C ATOM 1437 O ILE A 676 -4.241 10.537 -0.554 1.00 35.30 O ATOM 1438 CB ILE A 676 -1.318 11.063 0.502 1.00 41.22 C ATOM 1439 CG1 ILE A 676 -1.004 9.575 0.622 1.00 45.14 C ATOM 1440 CG2 ILE A 676 -2.191 11.527 1.638 1.00 43.11 C ATOM 1441 CD1 ILE A 676 -0.230 9.152 1.828 1.00 52.32 C ATOM 0 H ILE A 676 -3.055 12.986 -0.252 1.00 2.11 H new ATOM 0 HA ILE A 676 -1.255 11.166 -1.639 1.00 34.42 H new ATOM 0 HB ILE A 676 -0.385 11.625 0.555 1.00 41.22 H new ATOM 0 HG12 ILE A 676 -1.945 9.026 0.611 1.00 45.14 H new ATOM 0 HG13 ILE A 676 -0.447 9.271 -0.265 1.00 45.14 H new ATOM 0 HG21 ILE A 676 -1.691 11.327 2.586 1.00 43.11 H new ATOM 0 HG22 ILE A 676 -2.374 12.597 1.543 1.00 43.11 H new ATOM 0 HG23 ILE A 676 -3.141 10.993 1.609 1.00 43.11 H new ATOM 0 HD11 ILE A 676 -0.071 8.074 1.798 1.00 52.32 H new ATOM 0 HD12 ILE A 676 0.734 9.661 1.839 1.00 52.32 H new ATOM 0 HD13 ILE A 676 -0.788 9.412 2.728 1.00 52.32 H new ATOM 1453 N GLN A 677 -2.919 9.437 -1.931 1.00 21.11 N ATOM 1454 CA GLN A 677 -3.886 8.449 -2.283 1.00 12.24 C ATOM 1455 C GLN A 677 -3.654 7.214 -1.441 1.00 12.01 C ATOM 1456 O GLN A 677 -2.544 6.729 -1.343 1.00 55.41 O ATOM 1457 CB GLN A 677 -3.751 8.110 -3.767 1.00 61.30 C ATOM 1458 CG GLN A 677 -4.762 7.106 -4.274 1.00 4.33 C ATOM 1459 CD GLN A 677 -4.585 6.797 -5.745 1.00 24.12 C ATOM 1460 OE1 GLN A 677 -3.868 5.866 -6.109 1.00 13.03 O ATOM 1461 NE2 GLN A 677 -5.196 7.585 -6.600 1.00 4.12 N ATOM 0 H GLN A 677 -2.021 9.321 -2.401 1.00 21.11 H new ATOM 0 HA GLN A 677 -4.892 8.827 -2.100 1.00 12.24 H new ATOM 0 HB2 GLN A 677 -3.847 9.028 -4.347 1.00 61.30 H new ATOM 0 HB3 GLN A 677 -2.749 7.721 -3.949 1.00 61.30 H new ATOM 0 HG2 GLN A 677 -4.673 6.184 -3.699 1.00 4.33 H new ATOM 0 HG3 GLN A 677 -5.768 7.491 -4.105 1.00 4.33 H new ATOM 0 HE21 GLN A 677 -5.783 8.347 -6.261 1.00 4.12 H new ATOM 0 HE22 GLN A 677 -5.084 7.435 -7.603 1.00 4.12 H new ATOM 1470 N LEU A 678 -4.665 6.741 -0.821 1.00 31.32 N ATOM 1471 CA LEU A 678 -4.571 5.555 -0.035 1.00 44.44 C ATOM 1472 C LEU A 678 -5.658 4.588 -0.383 1.00 41.40 C ATOM 1473 O LEU A 678 -6.846 4.932 -0.407 1.00 54.10 O ATOM 1474 CB LEU A 678 -4.486 5.813 1.495 1.00 64.24 C ATOM 1475 CG LEU A 678 -5.527 6.736 2.151 1.00 63.24 C ATOM 1476 CD1 LEU A 678 -5.439 6.615 3.656 1.00 11.44 C ATOM 1477 CD2 LEU A 678 -5.263 8.178 1.772 1.00 62.20 C ATOM 0 H LEU A 678 -5.593 7.163 -0.839 1.00 31.32 H new ATOM 0 HA LEU A 678 -3.615 5.100 -0.295 1.00 44.44 H new ATOM 0 HB2 LEU A 678 -4.540 4.846 1.996 1.00 64.24 H new ATOM 0 HB3 LEU A 678 -3.500 6.226 1.705 1.00 64.24 H new ATOM 0 HG LEU A 678 -6.517 6.440 1.804 1.00 63.24 H new ATOM 0 HD11 LEU A 678 -6.178 7.270 4.118 1.00 11.44 H new ATOM 0 HD12 LEU A 678 -5.634 5.584 3.950 1.00 11.44 H new ATOM 0 HD13 LEU A 678 -4.441 6.904 3.987 1.00 11.44 H new ATOM 0 HD21 LEU A 678 -6.007 8.820 2.243 1.00 62.20 H new ATOM 0 HD22 LEU A 678 -4.268 8.467 2.110 1.00 62.20 H new ATOM 0 HD23 LEU A 678 -5.324 8.287 0.689 1.00 62.20 H new ATOM 1489 N ILE A 679 -5.245 3.405 -0.694 1.00 22.12 N ATOM 1490 CA ILE A 679 -6.129 2.348 -1.074 1.00 62.22 C ATOM 1491 C ILE A 679 -6.195 1.366 0.041 1.00 2.34 C ATOM 1492 O ILE A 679 -5.174 0.809 0.455 1.00 20.51 O ATOM 1493 CB ILE A 679 -5.628 1.673 -2.364 1.00 13.25 C ATOM 1494 CG1 ILE A 679 -5.651 2.713 -3.473 1.00 5.53 C ATOM 1495 CG2 ILE A 679 -6.509 0.464 -2.733 1.00 62.24 C ATOM 1496 CD1 ILE A 679 -4.898 2.339 -4.720 1.00 12.44 C ATOM 0 H ILE A 679 -4.261 3.137 -0.692 1.00 22.12 H new ATOM 0 HA ILE A 679 -7.125 2.746 -1.271 1.00 62.22 H new ATOM 0 HB ILE A 679 -4.615 1.298 -2.219 1.00 13.25 H new ATOM 0 HG12 ILE A 679 -6.689 2.912 -3.741 1.00 5.53 H new ATOM 0 HG13 ILE A 679 -5.238 3.644 -3.084 1.00 5.53 H new ATOM 0 HG21 ILE A 679 -6.133 0.006 -3.648 1.00 62.24 H new ATOM 0 HG22 ILE A 679 -6.482 -0.266 -1.924 1.00 62.24 H new ATOM 0 HG23 ILE A 679 -7.536 0.796 -2.889 1.00 62.24 H new ATOM 0 HD11 ILE A 679 -4.976 3.146 -5.448 1.00 12.44 H new ATOM 0 HD12 ILE A 679 -3.849 2.171 -4.475 1.00 12.44 H new ATOM 0 HD13 ILE A 679 -5.322 1.428 -5.142 1.00 12.44 H new ATOM 1508 N VAL A 680 -7.362 1.174 0.527 1.00 33.41 N ATOM 1509 CA VAL A 680 -7.604 0.297 1.638 1.00 73.42 C ATOM 1510 C VAL A 680 -8.621 -0.770 1.255 1.00 30.54 C ATOM 1511 O VAL A 680 -9.409 -0.585 0.320 1.00 31.42 O ATOM 1512 CB VAL A 680 -8.057 1.086 2.909 1.00 63.33 C ATOM 1513 CG1 VAL A 680 -6.939 1.980 3.419 1.00 54.25 C ATOM 1514 CG2 VAL A 680 -9.305 1.925 2.637 1.00 24.54 C ATOM 0 H VAL A 680 -8.202 1.625 0.166 1.00 33.41 H new ATOM 0 HA VAL A 680 -6.665 -0.197 1.890 1.00 73.42 H new ATOM 0 HB VAL A 680 -8.301 0.348 3.674 1.00 63.33 H new ATOM 0 HG11 VAL A 680 -7.279 2.518 4.304 1.00 54.25 H new ATOM 0 HG12 VAL A 680 -6.073 1.369 3.676 1.00 54.25 H new ATOM 0 HG13 VAL A 680 -6.662 2.694 2.644 1.00 54.25 H new ATOM 0 HG21 VAL A 680 -9.589 2.459 3.544 1.00 24.54 H new ATOM 0 HG22 VAL A 680 -9.095 2.643 1.844 1.00 24.54 H new ATOM 0 HG23 VAL A 680 -10.122 1.273 2.329 1.00 24.54 H new ATOM 1524 N ALA A 681 -8.579 -1.878 1.935 1.00 71.25 N ATOM 1525 CA ALA A 681 -9.430 -2.992 1.630 1.00 41.51 C ATOM 1526 C ALA A 681 -10.440 -3.228 2.712 1.00 61.04 C ATOM 1527 O ALA A 681 -10.101 -3.427 3.890 1.00 45.21 O ATOM 1528 CB ALA A 681 -8.614 -4.244 1.418 1.00 71.31 C ATOM 0 H ALA A 681 -7.950 -2.036 2.722 1.00 71.25 H new ATOM 0 HA ALA A 681 -9.963 -2.748 0.711 1.00 41.51 H new ATOM 0 HB1 ALA A 681 -9.279 -5.077 1.188 1.00 71.31 H new ATOM 0 HB2 ALA A 681 -7.923 -4.092 0.589 1.00 71.31 H new ATOM 0 HB3 ALA A 681 -8.051 -4.469 2.324 1.00 71.31 H new ATOM 1534 N ARG A 682 -11.666 -3.256 2.309 1.00 5.42 N ATOM 1535 CA ARG A 682 -12.744 -3.482 3.190 1.00 53.23 C ATOM 1536 C ARG A 682 -13.351 -4.827 2.920 1.00 70.25 C ATOM 1537 O ARG A 682 -13.808 -5.104 1.824 1.00 44.51 O ATOM 1538 CB ARG A 682 -13.755 -2.319 3.094 1.00 34.34 C ATOM 1539 CG ARG A 682 -15.091 -2.491 3.833 1.00 0.54 C ATOM 1540 CD ARG A 682 -14.942 -3.113 5.223 1.00 73.24 C ATOM 1541 NE ARG A 682 -13.765 -2.631 5.948 1.00 22.15 N ATOM 1542 CZ ARG A 682 -13.276 -3.203 7.039 1.00 2.20 C ATOM 1543 NH1 ARG A 682 -13.984 -4.109 7.698 1.00 23.13 N ATOM 1544 NH2 ARG A 682 -12.107 -2.816 7.497 1.00 42.31 N ATOM 0 H ARG A 682 -11.944 -3.119 1.337 1.00 5.42 H new ATOM 0 HA ARG A 682 -12.393 -3.502 4.222 1.00 53.23 H new ATOM 0 HB2 ARG A 682 -13.272 -1.419 3.473 1.00 34.34 H new ATOM 0 HB3 ARG A 682 -13.971 -2.145 2.040 1.00 34.34 H new ATOM 0 HG2 ARG A 682 -15.573 -1.518 3.928 1.00 0.54 H new ATOM 0 HG3 ARG A 682 -15.752 -3.116 3.232 1.00 0.54 H new ATOM 0 HD2 ARG A 682 -15.835 -2.896 5.809 1.00 73.24 H new ATOM 0 HD3 ARG A 682 -14.881 -4.197 5.124 1.00 73.24 H new ATOM 0 HE ARG A 682 -13.291 -1.802 5.591 1.00 22.15 H new ATOM 0 HH11 ARG A 682 -14.912 -4.371 7.366 1.00 23.13 H new ATOM 0 HH12 ARG A 682 -13.600 -4.545 8.537 1.00 23.13 H new ATOM 0 HH21 ARG A 682 -11.587 -2.083 7.014 1.00 42.31 H new ATOM 0 HH22 ARG A 682 -11.719 -3.248 8.336 1.00 42.31 H new ATOM 1839 N GLU B 780 4.106 -3.764 14.843 1.00 33.23 N ATOM 1840 CA GLU B 780 4.597 -2.598 14.145 1.00 50.34 C ATOM 1841 C GLU B 780 3.490 -1.557 14.102 1.00 51.34 C ATOM 1842 O GLU B 780 2.349 -1.903 13.830 1.00 42.55 O ATOM 1843 CB GLU B 780 5.072 -2.947 12.714 1.00 23.25 C ATOM 1844 CG GLU B 780 6.360 -3.787 12.615 1.00 32.21 C ATOM 1845 CD GLU B 780 6.279 -5.156 13.257 1.00 22.12 C ATOM 1846 OE1 GLU B 780 5.789 -6.101 12.598 1.00 63.11 O ATOM 1847 OE2 GLU B 780 6.737 -5.309 14.413 1.00 54.32 O ATOM 0 HA GLU B 780 5.461 -2.203 14.679 1.00 50.34 H new ATOM 0 HB2 GLU B 780 4.271 -3.486 12.208 1.00 23.25 H new ATOM 0 HB3 GLU B 780 5.226 -2.017 12.167 1.00 23.25 H new ATOM 0 HG2 GLU B 780 6.616 -3.910 11.563 1.00 32.21 H new ATOM 0 HG3 GLU B 780 7.175 -3.232 13.079 1.00 32.21 H new ATOM 1854 N GLU B 781 3.826 -0.308 14.390 1.00 34.00 N ATOM 1855 CA GLU B 781 2.868 0.807 14.435 1.00 21.22 C ATOM 1856 C GLU B 781 3.472 2.072 13.855 1.00 2.44 C ATOM 1857 O GLU B 781 4.601 2.453 14.188 1.00 62.30 O ATOM 1858 CB GLU B 781 2.408 1.073 15.867 1.00 51.12 C ATOM 1859 CG GLU B 781 1.436 0.063 16.424 1.00 40.51 C ATOM 1860 CD GLU B 781 1.332 0.117 17.924 1.00 11.23 C ATOM 1861 OE1 GLU B 781 2.298 -0.256 18.618 1.00 0.32 O ATOM 1862 OE2 GLU B 781 0.284 0.520 18.436 1.00 41.32 O ATOM 0 H GLU B 781 4.783 -0.028 14.603 1.00 34.00 H new ATOM 0 HA GLU B 781 2.007 0.520 13.831 1.00 21.22 H new ATOM 0 HB2 GLU B 781 3.285 1.106 16.514 1.00 51.12 H new ATOM 0 HB3 GLU B 781 1.946 2.059 15.907 1.00 51.12 H new ATOM 0 HG2 GLU B 781 0.451 0.236 15.990 1.00 40.51 H new ATOM 0 HG3 GLU B 781 1.746 -0.937 16.122 1.00 40.51 H new ATOM 1869 N LEU B 782 2.730 2.704 12.989 1.00 21.14 N ATOM 1870 CA LEU B 782 3.132 3.900 12.356 1.00 71.20 C ATOM 1871 C LEU B 782 1.987 4.916 12.367 1.00 61.20 C ATOM 1872 O LEU B 782 0.855 4.576 12.084 1.00 30.35 O ATOM 1873 CB LEU B 782 3.498 3.582 10.915 1.00 41.45 C ATOM 1874 CG LEU B 782 3.816 4.759 10.063 1.00 61.13 C ATOM 1875 CD1 LEU B 782 5.098 5.389 10.495 1.00 54.05 C ATOM 1876 CD2 LEU B 782 3.833 4.413 8.611 1.00 14.32 C ATOM 0 H LEU B 782 1.805 2.381 12.705 1.00 21.14 H new ATOM 0 HA LEU B 782 3.985 4.323 12.886 1.00 71.20 H new ATOM 0 HB2 LEU B 782 4.358 2.912 10.916 1.00 41.45 H new ATOM 0 HB3 LEU B 782 2.671 3.038 10.459 1.00 41.45 H new ATOM 0 HG LEU B 782 3.018 5.489 10.197 1.00 61.13 H new ATOM 0 HD11 LEU B 782 5.313 6.248 9.860 1.00 54.05 H new ATOM 0 HD12 LEU B 782 5.012 5.716 11.531 1.00 54.05 H new ATOM 0 HD13 LEU B 782 5.907 4.663 10.410 1.00 54.05 H new ATOM 0 HD21 LEU B 782 4.069 5.303 8.028 1.00 14.32 H new ATOM 0 HD22 LEU B 782 4.588 3.648 8.428 1.00 14.32 H new ATOM 0 HD23 LEU B 782 2.854 4.035 8.316 1.00 14.32 H new ATOM 1888 N ILE B 783 2.278 6.133 12.727 1.00 24.12 N ATOM 1889 CA ILE B 783 1.297 7.202 12.618 1.00 65.03 C ATOM 1890 C ILE B 783 1.587 7.991 11.355 1.00 63.03 C ATOM 1891 O ILE B 783 2.740 8.415 11.128 1.00 20.35 O ATOM 1892 CB ILE B 783 1.268 8.191 13.850 1.00 12.12 C ATOM 1893 CG1 ILE B 783 0.834 7.497 15.166 1.00 33.24 C ATOM 1894 CG2 ILE B 783 0.348 9.394 13.568 1.00 10.20 C ATOM 1895 CD1 ILE B 783 1.806 6.479 15.727 1.00 33.12 C ATOM 0 H ILE B 783 3.183 6.421 13.100 1.00 24.12 H new ATOM 0 HA ILE B 783 0.317 6.726 12.592 1.00 65.03 H new ATOM 0 HB ILE B 783 2.292 8.540 13.985 1.00 12.12 H new ATOM 0 HG12 ILE B 783 0.666 8.265 15.921 1.00 33.24 H new ATOM 0 HG13 ILE B 783 -0.122 7.003 14.995 1.00 33.24 H new ATOM 0 HG21 ILE B 783 0.345 10.060 14.431 1.00 10.20 H new ATOM 0 HG22 ILE B 783 0.713 9.934 12.694 1.00 10.20 H new ATOM 0 HG23 ILE B 783 -0.666 9.040 13.379 1.00 10.20 H new ATOM 0 HD11 ILE B 783 1.401 6.057 16.647 1.00 33.12 H new ATOM 0 HD12 ILE B 783 1.959 5.682 14.999 1.00 33.12 H new ATOM 0 HD13 ILE B 783 2.759 6.964 15.939 1.00 33.12 H new ATOM 1907 N ILE B 784 0.590 8.182 10.538 1.00 23.23 N ATOM 1908 CA ILE B 784 0.743 8.913 9.333 1.00 5.10 C ATOM 1909 C ILE B 784 0.010 10.247 9.408 1.00 30.44 C ATOM 1910 O ILE B 784 -1.192 10.306 9.136 1.00 37.98 O ATOM 1911 CB ILE B 784 0.367 8.096 8.057 1.00 14.15 C ATOM 1912 CG1 ILE B 784 -0.998 7.401 8.177 1.00 63.31 C ATOM 1913 CG2 ILE B 784 1.471 7.098 7.697 1.00 30.22 C ATOM 1914 CD1 ILE B 784 -1.427 6.727 6.897 1.00 23.14 C ATOM 1915 OXT ILE B 784 0.650 11.240 9.776 1.00 37.98 O ATOM 0 H ILE B 784 -0.353 7.829 10.699 1.00 23.23 H new ATOM 0 HA ILE B 784 1.807 9.123 9.228 1.00 5.10 H new ATOM 0 HB ILE B 784 0.276 8.813 7.241 1.00 14.15 H new ATOM 0 HG12 ILE B 784 -0.954 6.660 8.975 1.00 63.31 H new ATOM 0 HG13 ILE B 784 -1.750 8.135 8.465 1.00 63.31 H new ATOM 0 HG21 ILE B 784 1.183 6.543 6.805 1.00 30.22 H new ATOM 0 HG22 ILE B 784 2.399 7.636 7.505 1.00 30.22 H new ATOM 0 HG23 ILE B 784 1.618 6.404 8.524 1.00 30.22 H new ATOM 0 HD11 ILE B 784 -2.398 6.254 7.043 1.00 23.14 H new ATOM 0 HD12 ILE B 784 -1.501 7.469 6.102 1.00 23.14 H new ATOM 0 HD13 ILE B 784 -0.692 5.971 6.620 1.00 23.14 H new