USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 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 Set 1.1: A 626 ASN : amide:sc= 0 X(o=0.68,f=0.33) USER MOD Set 1.2: A 631 SER OG : rot -120:sc= 0.677 USER MOD Set 2.1: A 588 THR OG1 : rot 34:sc= 0.658 USER MOD Set 2.2: A 677 GLN : amide:sc= 0.0056 K(o=0.66,f=0.11) USER MOD Single : A 594 ASN : amide:sc= -1.75! C(o=-1.8!,f=-4.9!) USER MOD Single : A 596 SER OG : rot -162:sc= 0.833 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot -11:sc= -0.765 USER MOD Single : A 606 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.013) USER MOD Single : A 608 ASN :FLIP amide:sc= -1.38 F(o=-4.1!,f=-1.4) USER MOD Single : A 610 SER OG : rot -170:sc= 0 USER MOD Single : A 622 LYS NZ :NH3+ -120:sc= -0.547 (180deg=-0.938) USER MOD Single : A 623 SER OG : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.36) USER MOD Single : A 641 GLN :FLIP amide:sc= 0.433 F(o=-0.48,f=0.43) USER MOD Single : A 646 ASN : amide:sc= -2.11 K(o=-2.1,f=-14!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ -179:sc= 1.07 (180deg=1.02) USER MOD Single : A 655 ASN : amide:sc= -3.17! C(o=-3.2!,f=-4!) USER MOD Single : A 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 659 MET CE :methyl -153:sc= -0.0767 (180deg=-1.16) USER MOD Single : A 661 THR OG1 : rot 79:sc= 0.821 USER MOD Single : A 665 SER OG : rot 90:sc= 1.21 USER MOD Single : A 666 MET CE :methyl 162:sc= -3.89! (180deg=-5.04!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 80:sc= 0.0475 USER MOD Single : A 671 ASN : amide:sc= -0.0216 X(o=-0.022,f=-0.48) USER MOD Single : A 672 LYS NZ :NH3+ 151:sc= -0.0113 (180deg=-1.05!) USER MOD Single : A 675 MET CE :methyl -177:sc= -1.61! (180deg=-1.7) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.987 -5.188 -0.947 1.00 31.44 N ATOM 79 CA GLU A 585 -13.941 -4.090 -1.869 1.00 2.11 C ATOM 80 C GLU A 585 -12.954 -3.054 -1.430 1.00 61.13 C ATOM 81 O GLU A 585 -12.790 -2.798 -0.227 1.00 31.04 O ATOM 82 CB GLU A 585 -15.330 -3.503 -2.125 1.00 2.11 C ATOM 83 CG GLU A 585 -16.041 -3.001 -0.895 1.00 44.01 C ATOM 84 CD GLU A 585 -17.395 -2.440 -1.217 1.00 73.12 C ATOM 85 OE1 GLU A 585 -17.477 -1.263 -1.619 1.00 60.11 O ATOM 86 OE2 GLU A 585 -18.396 -3.149 -1.059 1.00 71.04 O ATOM 0 HA GLU A 585 -13.591 -4.477 -2.826 1.00 2.11 H new ATOM 0 HB2 GLU A 585 -15.236 -2.681 -2.834 1.00 2.11 H new ATOM 0 HB3 GLU A 585 -15.949 -4.264 -2.600 1.00 2.11 H new ATOM 0 HG2 GLU A 585 -16.147 -3.817 -0.180 1.00 44.01 H new ATOM 0 HG3 GLU A 585 -15.435 -2.233 -0.415 1.00 44.01 H new ATOM 93 N PHE A 586 -12.289 -2.473 -2.383 1.00 31.32 N ATOM 94 CA PHE A 586 -11.285 -1.490 -2.104 1.00 41.22 C ATOM 95 C PHE A 586 -11.887 -0.124 -2.088 1.00 22.41 C ATOM 96 O PHE A 586 -12.813 0.168 -2.842 1.00 31.21 O ATOM 97 CB PHE A 586 -10.132 -1.533 -3.132 1.00 11.24 C ATOM 98 CG PHE A 586 -9.220 -2.741 -3.049 1.00 24.25 C ATOM 99 CD1 PHE A 586 -9.540 -3.833 -2.261 1.00 32.32 C ATOM 100 CD2 PHE A 586 -8.036 -2.772 -3.768 1.00 74.21 C ATOM 101 CE1 PHE A 586 -8.710 -4.925 -2.191 1.00 12.22 C ATOM 102 CE2 PHE A 586 -7.199 -3.869 -3.699 1.00 2.53 C ATOM 103 CZ PHE A 586 -7.538 -4.946 -2.910 1.00 12.23 C ATOM 0 H PHE A 586 -12.427 -2.667 -3.375 1.00 31.32 H new ATOM 0 HA PHE A 586 -10.871 -1.722 -1.123 1.00 41.22 H new ATOM 0 HB2 PHE A 586 -10.561 -1.493 -4.133 1.00 11.24 H new ATOM 0 HB3 PHE A 586 -9.527 -0.635 -3.009 1.00 11.24 H new ATOM 0 HD1 PHE A 586 -10.458 -3.826 -1.692 1.00 32.32 H new ATOM 0 HD2 PHE A 586 -7.765 -1.931 -4.388 1.00 74.21 H new ATOM 0 HE1 PHE A 586 -8.978 -5.768 -1.571 1.00 12.22 H new ATOM 0 HE2 PHE A 586 -6.279 -3.882 -4.264 1.00 2.53 H new ATOM 0 HZ PHE A 586 -6.885 -5.805 -2.856 1.00 12.23 H new ATOM 113 N LEU A 587 -11.406 0.680 -1.223 1.00 54.41 N ATOM 114 CA LEU A 587 -11.821 2.032 -1.138 1.00 0.15 C ATOM 115 C LEU A 587 -10.610 2.862 -1.186 1.00 55.42 C ATOM 116 O LEU A 587 -9.658 2.615 -0.461 1.00 60.11 O ATOM 117 CB LEU A 587 -12.546 2.275 0.176 1.00 61.32 C ATOM 118 CG LEU A 587 -13.830 1.506 0.365 1.00 42.54 C ATOM 119 CD1 LEU A 587 -14.323 1.639 1.791 1.00 1.25 C ATOM 120 CD2 LEU A 587 -14.893 2.002 -0.598 1.00 44.24 C ATOM 0 H LEU A 587 -10.698 0.417 -0.538 1.00 54.41 H new ATOM 0 HA LEU A 587 -12.500 2.275 -1.956 1.00 0.15 H new ATOM 0 HB2 LEU A 587 -11.871 2.026 0.994 1.00 61.32 H new ATOM 0 HB3 LEU A 587 -12.766 3.339 0.257 1.00 61.32 H new ATOM 0 HG LEU A 587 -13.631 0.454 0.158 1.00 42.54 H new ATOM 0 HD11 LEU A 587 -15.250 1.078 1.909 1.00 1.25 H new ATOM 0 HD12 LEU A 587 -13.571 1.245 2.474 1.00 1.25 H new ATOM 0 HD13 LEU A 587 -14.503 2.690 2.017 1.00 1.25 H new ATOM 0 HD21 LEU A 587 -15.813 1.436 -0.448 1.00 44.24 H new ATOM 0 HD22 LEU A 587 -15.084 3.060 -0.416 1.00 44.24 H new ATOM 0 HD23 LEU A 587 -14.547 1.867 -1.623 1.00 44.24 H new ATOM 132 N THR A 588 -10.603 3.809 -2.013 1.00 75.42 N ATOM 133 CA THR A 588 -9.489 4.663 -2.052 1.00 3.12 C ATOM 134 C THR A 588 -9.859 6.060 -1.672 1.00 24.25 C ATOM 135 O THR A 588 -10.790 6.660 -2.223 1.00 11.52 O ATOM 136 CB THR A 588 -8.636 4.565 -3.348 1.00 0.13 C ATOM 137 OG1 THR A 588 -7.479 5.399 -3.247 1.00 54.34 O ATOM 138 CG2 THR A 588 -9.394 4.953 -4.569 1.00 3.45 C ATOM 0 H THR A 588 -11.349 4.022 -2.676 1.00 75.42 H new ATOM 0 HA THR A 588 -8.805 4.297 -1.286 1.00 3.12 H new ATOM 0 HB THR A 588 -8.349 3.518 -3.445 1.00 0.13 H new ATOM 0 HG1 THR A 588 -7.169 5.417 -2.317 1.00 54.34 H new ATOM 0 HG21 THR A 588 -8.747 4.865 -5.442 1.00 3.45 H new ATOM 0 HG22 THR A 588 -10.255 4.295 -4.687 1.00 3.45 H new ATOM 0 HG23 THR A 588 -9.736 5.984 -4.473 1.00 3.45 H new ATOM 146 N PHE A 589 -9.176 6.553 -0.703 1.00 4.10 N ATOM 147 CA PHE A 589 -9.412 7.848 -0.200 1.00 3.33 C ATOM 148 C PHE A 589 -8.258 8.723 -0.550 1.00 32.04 C ATOM 149 O PHE A 589 -7.108 8.315 -0.423 1.00 50.51 O ATOM 150 CB PHE A 589 -9.628 7.791 1.304 1.00 63.13 C ATOM 151 CG PHE A 589 -10.793 6.927 1.636 1.00 55.41 C ATOM 152 CD1 PHE A 589 -12.024 7.216 1.097 1.00 42.41 C ATOM 153 CD2 PHE A 589 -10.662 5.826 2.458 1.00 64.12 C ATOM 154 CE1 PHE A 589 -13.105 6.438 1.359 1.00 64.24 C ATOM 155 CE2 PHE A 589 -11.754 5.031 2.736 1.00 23.05 C ATOM 156 CZ PHE A 589 -12.980 5.337 2.182 1.00 64.13 C ATOM 0 H PHE A 589 -8.423 6.053 -0.231 1.00 4.10 H new ATOM 0 HA PHE A 589 -10.314 8.264 -0.648 1.00 3.33 H new ATOM 0 HB2 PHE A 589 -8.732 7.405 1.791 1.00 63.13 H new ATOM 0 HB3 PHE A 589 -9.793 8.797 1.691 1.00 63.13 H new ATOM 0 HD1 PHE A 589 -12.133 8.077 0.454 1.00 42.41 H new ATOM 0 HD2 PHE A 589 -9.700 5.586 2.886 1.00 64.12 H new ATOM 0 HE1 PHE A 589 -14.063 6.681 0.923 1.00 64.24 H new ATOM 0 HE2 PHE A 589 -11.650 4.173 3.384 1.00 23.05 H new ATOM 0 HZ PHE A 589 -13.839 4.717 2.392 1.00 64.13 H new ATOM 166 N GLU A 590 -8.544 9.880 -1.034 1.00 34.20 N ATOM 167 CA GLU A 590 -7.525 10.804 -1.401 1.00 22.41 C ATOM 168 C GLU A 590 -7.512 11.946 -0.421 1.00 13.02 C ATOM 169 O GLU A 590 -8.544 12.567 -0.151 1.00 42.43 O ATOM 170 CB GLU A 590 -7.718 11.270 -2.828 1.00 40.14 C ATOM 171 CG GLU A 590 -7.664 10.130 -3.835 1.00 3.13 C ATOM 172 CD GLU A 590 -7.872 10.579 -5.247 1.00 31.43 C ATOM 173 OE1 GLU A 590 -9.043 10.685 -5.686 1.00 24.31 O ATOM 174 OE2 GLU A 590 -6.879 10.819 -5.957 1.00 43.10 O ATOM 0 H GLU A 590 -9.495 10.216 -1.188 1.00 34.20 H new ATOM 0 HA GLU A 590 -6.551 10.316 -1.361 1.00 22.41 H new ATOM 0 HB2 GLU A 590 -8.679 11.778 -2.912 1.00 40.14 H new ATOM 0 HB3 GLU A 590 -6.948 12.002 -3.073 1.00 40.14 H new ATOM 0 HG2 GLU A 590 -6.698 9.632 -3.758 1.00 3.13 H new ATOM 0 HG3 GLU A 590 -8.425 9.392 -3.580 1.00 3.13 H new ATOM 181 N VAL A 591 -6.361 12.212 0.100 1.00 72.54 N ATOM 182 CA VAL A 591 -6.195 13.171 1.168 1.00 34.14 C ATOM 183 C VAL A 591 -5.234 14.241 0.711 1.00 74.44 C ATOM 184 O VAL A 591 -4.128 13.942 0.329 1.00 31.31 O ATOM 185 CB VAL A 591 -5.599 12.473 2.436 1.00 42.33 C ATOM 186 CG1 VAL A 591 -5.515 13.422 3.629 1.00 3.25 C ATOM 187 CG2 VAL A 591 -6.403 11.253 2.805 1.00 14.21 C ATOM 0 H VAL A 591 -5.492 11.770 -0.200 1.00 72.54 H new ATOM 0 HA VAL A 591 -7.165 13.601 1.417 1.00 34.14 H new ATOM 0 HB VAL A 591 -4.584 12.168 2.181 1.00 42.33 H new ATOM 0 HG11 VAL A 591 -5.096 12.894 4.485 1.00 3.25 H new ATOM 0 HG12 VAL A 591 -4.876 14.268 3.376 1.00 3.25 H new ATOM 0 HG13 VAL A 591 -6.513 13.782 3.878 1.00 3.25 H new ATOM 0 HG21 VAL A 591 -5.969 10.785 3.689 1.00 14.21 H new ATOM 0 HG22 VAL A 591 -7.431 11.545 3.017 1.00 14.21 H new ATOM 0 HG23 VAL A 591 -6.390 10.545 1.977 1.00 14.21 H new ATOM 197 N PRO A 592 -5.632 15.481 0.696 1.00 50.15 N ATOM 198 CA PRO A 592 -4.738 16.540 0.316 1.00 11.12 C ATOM 199 C PRO A 592 -3.808 16.916 1.469 1.00 3.14 C ATOM 200 O PRO A 592 -4.242 17.038 2.633 1.00 1.02 O ATOM 201 CB PRO A 592 -5.676 17.676 -0.030 1.00 43.24 C ATOM 202 CG PRO A 592 -6.843 17.463 0.848 1.00 1.11 C ATOM 203 CD PRO A 592 -6.971 15.977 1.041 1.00 52.23 C ATOM 0 HA PRO A 592 -4.078 16.269 -0.508 1.00 11.12 H new ATOM 0 HB2 PRO A 592 -5.212 18.645 0.153 1.00 43.24 H new ATOM 0 HB3 PRO A 592 -5.960 17.652 -1.082 1.00 43.24 H new ATOM 0 HG2 PRO A 592 -6.705 17.967 1.804 1.00 1.11 H new ATOM 0 HG3 PRO A 592 -7.747 17.874 0.398 1.00 1.11 H new ATOM 0 HD2 PRO A 592 -7.243 15.725 2.066 1.00 52.23 H new ATOM 0 HD3 PRO A 592 -7.738 15.551 0.394 1.00 52.23 H new ATOM 211 N LEU A 593 -2.541 17.092 1.164 1.00 63.22 N ATOM 212 CA LEU A 593 -1.563 17.468 2.176 1.00 1.10 C ATOM 213 C LEU A 593 -1.667 18.935 2.445 1.00 0.22 C ATOM 214 O LEU A 593 -0.889 19.747 1.941 1.00 3.04 O ATOM 215 CB LEU A 593 -0.095 17.083 1.834 1.00 21.43 C ATOM 216 CG LEU A 593 0.269 15.585 1.767 1.00 52.11 C ATOM 217 CD1 LEU A 593 -0.067 14.868 3.066 1.00 4.52 C ATOM 218 CD2 LEU A 593 -0.373 14.904 0.585 1.00 65.15 C ATOM 0 H LEU A 593 -2.158 16.982 0.225 1.00 63.22 H new ATOM 0 HA LEU A 593 -1.809 16.891 3.067 1.00 1.10 H new ATOM 0 HB2 LEU A 593 0.150 17.529 0.870 1.00 21.43 H new ATOM 0 HB3 LEU A 593 0.553 17.550 2.575 1.00 21.43 H new ATOM 0 HG LEU A 593 1.349 15.527 1.628 1.00 52.11 H new ATOM 0 HD11 LEU A 593 0.203 13.815 2.981 1.00 4.52 H new ATOM 0 HD12 LEU A 593 0.490 15.321 3.886 1.00 4.52 H new ATOM 0 HD13 LEU A 593 -1.136 14.953 3.263 1.00 4.52 H new ATOM 0 HD21 LEU A 593 -0.091 13.851 0.575 1.00 65.15 H new ATOM 0 HD22 LEU A 593 -1.457 14.989 0.661 1.00 65.15 H new ATOM 0 HD23 LEU A 593 -0.035 15.379 -0.336 1.00 65.15 H new ATOM 230 N ASN A 594 -2.685 19.273 3.151 1.00 73.42 N ATOM 231 CA ASN A 594 -2.948 20.661 3.492 1.00 4.33 C ATOM 232 C ASN A 594 -3.168 20.832 4.958 1.00 72.33 C ATOM 233 O ASN A 594 -2.421 21.547 5.621 1.00 24.03 O ATOM 234 CB ASN A 594 -4.130 21.245 2.700 1.00 34.25 C ATOM 235 CG ASN A 594 -3.854 21.357 1.214 1.00 5.45 C ATOM 236 OD1 ASN A 594 -4.128 20.438 0.446 1.00 3.13 O ATOM 237 ND2 ASN A 594 -3.308 22.466 0.799 1.00 20.33 N ATOM 0 H ASN A 594 -3.370 18.612 3.517 1.00 73.42 H new ATOM 0 HA ASN A 594 -2.056 21.220 3.209 1.00 4.33 H new ATOM 0 HB2 ASN A 594 -5.008 20.618 2.854 1.00 34.25 H new ATOM 0 HB3 ASN A 594 -4.371 22.232 3.094 1.00 34.25 H new ATOM 0 HD21 ASN A 594 -3.095 22.591 -0.191 1.00 20.33 H new ATOM 0 HD22 ASN A 594 -3.094 23.209 1.464 1.00 20.33 H new ATOM 244 N ASP A 595 -4.173 20.182 5.478 1.00 30.42 N ATOM 245 CA ASP A 595 -4.452 20.293 6.882 1.00 50.01 C ATOM 246 C ASP A 595 -4.403 18.937 7.541 1.00 33.21 C ATOM 247 O ASP A 595 -5.421 18.285 7.767 1.00 73.31 O ATOM 248 CB ASP A 595 -5.765 21.034 7.167 1.00 75.31 C ATOM 249 CG ASP A 595 -6.023 21.227 8.648 1.00 61.41 C ATOM 250 OD1 ASP A 595 -5.379 22.095 9.265 1.00 25.21 O ATOM 251 OD2 ASP A 595 -6.879 20.526 9.207 1.00 35.43 O ATOM 0 H ASP A 595 -4.806 19.576 4.956 1.00 30.42 H new ATOM 0 HA ASP A 595 -3.668 20.908 7.325 1.00 50.01 H new ATOM 0 HB2 ASP A 595 -5.741 22.008 6.678 1.00 75.31 H new ATOM 0 HB3 ASP A 595 -6.593 20.477 6.728 1.00 75.31 H new ATOM 256 N SER A 596 -3.196 18.463 7.687 1.00 11.40 N ATOM 257 CA SER A 596 -2.866 17.213 8.355 1.00 1.22 C ATOM 258 C SER A 596 -1.455 17.314 8.870 1.00 72.35 C ATOM 259 O SER A 596 -0.843 16.339 9.230 1.00 43.14 O ATOM 260 CB SER A 596 -2.989 16.060 7.375 1.00 75.22 C ATOM 261 OG SER A 596 -4.308 15.973 6.860 1.00 14.14 O ATOM 0 H SER A 596 -2.374 18.951 7.332 1.00 11.40 H new ATOM 0 HA SER A 596 -3.550 17.032 9.184 1.00 1.22 H new ATOM 0 HB2 SER A 596 -2.283 16.196 6.556 1.00 75.22 H new ATOM 0 HB3 SER A 596 -2.725 15.126 7.871 1.00 75.22 H new ATOM 0 HG SER A 596 -4.449 15.086 6.469 1.00 14.14 H new ATOM 267 N GLY A 597 -0.999 18.532 8.978 1.00 14.24 N ATOM 268 CA GLY A 597 0.341 18.817 9.429 1.00 22.22 C ATOM 269 C GLY A 597 0.464 18.548 10.895 1.00 43.21 C ATOM 270 O GLY A 597 1.559 18.395 11.427 1.00 24.22 O ATOM 0 H GLY A 597 -1.548 19.362 8.755 1.00 14.24 H new ATOM 0 HA2 GLY A 597 1.055 18.204 8.879 1.00 22.22 H new ATOM 0 HA3 GLY A 597 0.588 19.858 9.221 1.00 22.22 H new ATOM 274 N SER A 598 -0.688 18.479 11.548 1.00 2.42 N ATOM 275 CA SER A 598 -0.759 18.149 12.935 1.00 43.33 C ATOM 276 C SER A 598 -0.414 16.669 13.147 1.00 44.21 C ATOM 277 O SER A 598 -0.117 16.236 14.267 1.00 54.43 O ATOM 278 CB SER A 598 -2.138 18.500 13.476 1.00 21.14 C ATOM 279 OG SER A 598 -2.427 19.875 13.222 1.00 25.23 O ATOM 0 H SER A 598 -1.594 18.654 11.114 1.00 2.42 H new ATOM 0 HA SER A 598 -0.025 18.733 13.491 1.00 43.33 H new ATOM 0 HB2 SER A 598 -2.893 17.869 13.007 1.00 21.14 H new ATOM 0 HB3 SER A 598 -2.178 18.303 14.547 1.00 21.14 H new ATOM 0 HG SER A 598 -3.316 20.092 13.571 1.00 25.23 H new ATOM 285 N ALA A 599 -0.461 15.905 12.070 1.00 72.13 N ATOM 286 CA ALA A 599 -0.035 14.506 12.131 1.00 3.54 C ATOM 287 C ALA A 599 0.761 14.112 10.885 1.00 31.41 C ATOM 288 O ALA A 599 1.998 14.124 10.879 1.00 51.41 O ATOM 289 CB ALA A 599 -1.224 13.570 12.356 1.00 2.34 C ATOM 0 H ALA A 599 -0.783 16.217 11.154 1.00 72.13 H new ATOM 0 HA ALA A 599 0.629 14.401 12.989 1.00 3.54 H new ATOM 0 HB1 ALA A 599 -0.873 12.539 12.396 1.00 2.34 H new ATOM 0 HB2 ALA A 599 -1.714 13.824 13.296 1.00 2.34 H new ATOM 0 HB3 ALA A 599 -1.934 13.680 11.536 1.00 2.34 H new ATOM 295 N GLY A 600 0.044 13.825 9.857 1.00 14.44 N ATOM 296 CA GLY A 600 0.578 13.444 8.573 1.00 14.11 C ATOM 297 C GLY A 600 -0.582 13.270 7.671 1.00 52.43 C ATOM 298 O GLY A 600 -0.724 13.974 6.675 1.00 61.54 O ATOM 0 H GLY A 600 -0.976 13.847 9.876 1.00 14.44 H new ATOM 0 HA2 GLY A 600 1.255 14.209 8.192 1.00 14.11 H new ATOM 0 HA3 GLY A 600 1.152 12.520 8.650 1.00 14.11 H new ATOM 302 N LEU A 601 -1.413 12.326 8.035 1.00 21.31 N ATOM 303 CA LEU A 601 -2.729 12.148 7.455 1.00 21.24 C ATOM 304 C LEU A 601 -3.708 12.233 8.596 1.00 0.31 C ATOM 305 O LEU A 601 -4.794 12.808 8.485 1.00 71.12 O ATOM 306 CB LEU A 601 -2.910 10.779 6.777 1.00 63.54 C ATOM 307 CG LEU A 601 -1.958 10.406 5.653 1.00 42.14 C ATOM 308 CD1 LEU A 601 -2.483 9.208 4.898 1.00 64.32 C ATOM 309 CD2 LEU A 601 -1.708 11.552 4.714 1.00 5.13 C ATOM 0 H LEU A 601 -1.192 11.642 8.759 1.00 21.31 H new ATOM 0 HA LEU A 601 -2.879 12.908 6.688 1.00 21.24 H new ATOM 0 HB2 LEU A 601 -2.833 10.012 7.548 1.00 63.54 H new ATOM 0 HB3 LEU A 601 -3.925 10.734 6.383 1.00 63.54 H new ATOM 0 HG LEU A 601 -1.001 10.151 6.109 1.00 42.14 H new ATOM 0 HD11 LEU A 601 -1.791 8.952 4.096 1.00 64.32 H new ATOM 0 HD12 LEU A 601 -2.578 8.362 5.579 1.00 64.32 H new ATOM 0 HD13 LEU A 601 -3.459 9.444 4.474 1.00 64.32 H new ATOM 0 HD21 LEU A 601 -1.022 11.236 3.928 1.00 5.13 H new ATOM 0 HD22 LEU A 601 -2.650 11.868 4.267 1.00 5.13 H new ATOM 0 HD23 LEU A 601 -1.270 12.385 5.265 1.00 5.13 H new ATOM 321 N GLY A 602 -3.292 11.641 9.697 1.00 23.43 N ATOM 322 CA GLY A 602 -4.034 11.617 10.887 1.00 14.42 C ATOM 323 C GLY A 602 -4.710 10.299 11.060 1.00 65.54 C ATOM 324 O GLY A 602 -5.905 10.228 11.334 1.00 42.51 O ATOM 0 H GLY A 602 -2.397 11.156 9.764 1.00 23.43 H new ATOM 0 HA2 GLY A 602 -3.377 11.808 11.735 1.00 14.42 H new ATOM 0 HA3 GLY A 602 -4.778 12.414 10.874 1.00 14.42 H new ATOM 328 N VAL A 603 -3.967 9.238 10.853 1.00 51.31 N ATOM 329 CA VAL A 603 -4.474 7.918 11.091 1.00 4.22 C ATOM 330 C VAL A 603 -3.372 7.136 11.784 1.00 24.03 C ATOM 331 O VAL A 603 -2.194 7.439 11.620 1.00 52.43 O ATOM 332 CB VAL A 603 -4.838 7.168 9.755 1.00 55.05 C ATOM 333 CG1 VAL A 603 -5.588 5.882 10.028 1.00 4.41 C ATOM 334 CG2 VAL A 603 -5.598 8.047 8.776 1.00 43.12 C ATOM 0 H VAL A 603 -3.004 9.269 10.518 1.00 51.31 H new ATOM 0 HA VAL A 603 -5.382 7.994 11.689 1.00 4.22 H new ATOM 0 HB VAL A 603 -3.891 6.914 9.279 1.00 55.05 H new ATOM 0 HG11 VAL A 603 -5.823 5.391 9.084 1.00 4.41 H new ATOM 0 HG12 VAL A 603 -4.969 5.222 10.636 1.00 4.41 H new ATOM 0 HG13 VAL A 603 -6.512 6.106 10.561 1.00 4.41 H new ATOM 0 HG21 VAL A 603 -5.822 7.478 7.874 1.00 43.12 H new ATOM 0 HG22 VAL A 603 -6.529 8.382 9.234 1.00 43.12 H new ATOM 0 HG23 VAL A 603 -4.989 8.913 8.516 1.00 43.12 H new ATOM 344 N SER A 604 -3.730 6.172 12.556 1.00 25.14 N ATOM 345 CA SER A 604 -2.774 5.309 13.135 1.00 62.41 C ATOM 346 C SER A 604 -2.965 3.959 12.524 1.00 61.00 C ATOM 347 O SER A 604 -4.105 3.478 12.401 1.00 34.12 O ATOM 348 CB SER A 604 -2.951 5.231 14.649 1.00 21.43 C ATOM 349 OG SER A 604 -2.875 6.517 15.232 1.00 64.33 O ATOM 0 H SER A 604 -4.697 5.962 12.802 1.00 25.14 H new ATOM 0 HA SER A 604 -1.768 5.684 12.946 1.00 62.41 H new ATOM 0 HB2 SER A 604 -3.914 4.777 14.884 1.00 21.43 H new ATOM 0 HB3 SER A 604 -2.182 4.587 15.077 1.00 21.43 H new ATOM 0 HG SER A 604 -2.550 7.159 14.567 1.00 64.33 H new ATOM 355 N VAL A 605 -1.903 3.358 12.141 1.00 63.14 N ATOM 356 CA VAL A 605 -1.932 2.062 11.564 1.00 24.42 C ATOM 357 C VAL A 605 -0.989 1.126 12.264 1.00 33.54 C ATOM 358 O VAL A 605 -0.069 1.549 12.949 1.00 2.42 O ATOM 359 CB VAL A 605 -1.615 2.060 10.065 1.00 32.32 C ATOM 360 CG1 VAL A 605 -2.783 2.571 9.259 1.00 32.20 C ATOM 361 CG2 VAL A 605 -0.375 2.894 9.753 1.00 20.11 C ATOM 0 H VAL A 605 -0.968 3.758 12.220 1.00 63.14 H new ATOM 0 HA VAL A 605 -2.958 1.716 11.691 1.00 24.42 H new ATOM 0 HB VAL A 605 -1.418 1.025 9.785 1.00 32.32 H new ATOM 0 HG11 VAL A 605 -2.528 2.558 8.199 1.00 32.20 H new ATOM 0 HG12 VAL A 605 -3.650 1.934 9.431 1.00 32.20 H new ATOM 0 HG13 VAL A 605 -3.016 3.591 9.563 1.00 32.20 H new ATOM 0 HG21 VAL A 605 -0.180 2.870 8.681 1.00 20.11 H new ATOM 0 HG22 VAL A 605 -0.541 3.924 10.068 1.00 20.11 H new ATOM 0 HG23 VAL A 605 0.483 2.485 10.287 1.00 20.11 H new ATOM 371 N LYS A 606 -1.239 -0.118 12.112 1.00 11.45 N ATOM 372 CA LYS A 606 -0.400 -1.142 12.654 1.00 63.21 C ATOM 373 C LYS A 606 -0.439 -2.345 11.771 1.00 63.41 C ATOM 374 O LYS A 606 -1.418 -2.580 11.095 1.00 45.03 O ATOM 375 CB LYS A 606 -0.731 -1.544 14.112 1.00 42.03 C ATOM 376 CG LYS A 606 -2.056 -2.244 14.362 1.00 24.02 C ATOM 377 CD LYS A 606 -2.074 -2.789 15.790 1.00 34.21 C ATOM 378 CE LYS A 606 -3.349 -3.554 16.141 1.00 64.23 C ATOM 379 NZ LYS A 606 -4.544 -2.690 16.234 1.00 52.50 N ATOM 0 H LYS A 606 -2.046 -0.472 11.599 1.00 11.45 H new ATOM 0 HA LYS A 606 0.603 -0.717 12.689 1.00 63.21 H new ATOM 0 HB2 LYS A 606 0.066 -2.195 14.471 1.00 42.03 H new ATOM 0 HB3 LYS A 606 -0.706 -0.642 14.724 1.00 42.03 H new ATOM 0 HG2 LYS A 606 -2.882 -1.548 14.215 1.00 24.02 H new ATOM 0 HG3 LYS A 606 -2.192 -3.056 13.648 1.00 24.02 H new ATOM 0 HD2 LYS A 606 -1.216 -3.447 15.929 1.00 34.21 H new ATOM 0 HD3 LYS A 606 -1.955 -1.960 16.487 1.00 34.21 H new ATOM 0 HE2 LYS A 606 -3.523 -4.322 15.387 1.00 64.23 H new ATOM 0 HE3 LYS A 606 -3.206 -4.067 17.092 1.00 64.23 H new ATOM 0 HZ1 LYS A 606 -5.363 -3.261 16.524 1.00 52.50 H new ATOM 0 HZ2 LYS A 606 -4.377 -1.941 16.936 1.00 52.50 H new ATOM 0 HZ3 LYS A 606 -4.734 -2.259 15.307 1.00 52.50 H new ATOM 393 N GLY A 607 0.606 -3.087 11.767 1.00 43.21 N ATOM 394 CA GLY A 607 0.637 -4.256 10.969 1.00 12.01 C ATOM 395 C GLY A 607 0.495 -5.473 11.805 1.00 53.04 C ATOM 396 O GLY A 607 0.978 -5.515 12.946 1.00 21.50 O ATOM 0 H GLY A 607 1.452 -2.906 12.307 1.00 43.21 H new ATOM 0 HA2 GLY A 607 -0.166 -4.220 10.233 1.00 12.01 H new ATOM 0 HA3 GLY A 607 1.575 -4.298 10.415 1.00 12.01 H new ATOM 400 N ASN A 608 -0.159 -6.452 11.269 1.00 73.13 N ATOM 401 CA ASN A 608 -0.388 -7.694 11.968 1.00 1.04 C ATOM 402 C ASN A 608 0.343 -8.785 11.183 1.00 33.14 C ATOM 403 O ASN A 608 0.273 -8.826 9.952 1.00 53.13 O ATOM 404 CB ASN A 608 -1.922 -7.958 12.027 1.00 12.32 C ATOM 405 CG ASN A 608 -2.405 -9.084 12.980 1.00 65.31 C ATOM 406 OD1 ASN A 608 -1.620 -10.107 13.206 1.00 54.40 O flip ATOM 407 ND2 ASN A 608 -3.516 -9.005 13.509 1.00 54.21 N flip ATOM 0 H ASN A 608 -0.555 -6.422 10.330 1.00 73.13 H new ATOM 0 HA ASN A 608 -0.016 -7.670 12.992 1.00 1.04 H new ATOM 0 HB2 ASN A 608 -2.415 -7.031 12.320 1.00 12.32 H new ATOM 0 HB3 ASN A 608 -2.264 -8.196 11.020 1.00 12.32 H new ATOM 0 HD21 ASN A 608 -4.114 -8.200 13.321 1.00 54.21 H new ATOM 0 HD22 ASN A 608 -3.837 -9.744 14.134 1.00 54.21 H new ATOM 414 N ARG A 609 1.086 -9.607 11.860 1.00 60.12 N ATOM 415 CA ARG A 609 1.800 -10.696 11.221 1.00 73.15 C ATOM 416 C ARG A 609 1.343 -12.036 11.687 1.00 5.12 C ATOM 417 O ARG A 609 0.851 -12.186 12.804 1.00 61.41 O ATOM 418 CB ARG A 609 3.340 -10.565 11.317 1.00 34.15 C ATOM 419 CG ARG A 609 3.944 -9.738 10.198 1.00 21.33 C ATOM 420 CD ARG A 609 5.467 -9.630 10.278 1.00 45.04 C ATOM 421 NE ARG A 609 5.965 -8.757 11.352 1.00 43.41 N ATOM 422 CZ ARG A 609 7.214 -8.819 11.865 1.00 1.04 C ATOM 423 NH1 ARG A 609 8.042 -9.801 11.513 1.00 40.33 N ATOM 424 NH2 ARG A 609 7.633 -7.887 12.712 1.00 51.24 N ATOM 0 H ARG A 609 1.221 -9.551 12.869 1.00 60.12 H new ATOM 0 HA ARG A 609 1.546 -10.613 10.164 1.00 73.15 H new ATOM 0 HB2 ARG A 609 3.600 -10.113 12.274 1.00 34.15 H new ATOM 0 HB3 ARG A 609 3.784 -11.561 11.304 1.00 34.15 H new ATOM 0 HG2 ARG A 609 3.668 -10.179 9.240 1.00 21.33 H new ATOM 0 HG3 ARG A 609 3.514 -8.737 10.223 1.00 21.33 H new ATOM 0 HD2 ARG A 609 5.882 -10.628 10.418 1.00 45.04 H new ATOM 0 HD3 ARG A 609 5.842 -9.260 9.324 1.00 45.04 H new ATOM 0 HE ARG A 609 5.326 -8.060 11.734 1.00 43.41 H new ATOM 0 HH11 ARG A 609 7.735 -10.514 10.851 1.00 40.33 H new ATOM 0 HH12 ARG A 609 8.983 -9.840 11.905 1.00 40.33 H new ATOM 0 HH21 ARG A 609 7.012 -7.122 12.977 1.00 51.24 H new ATOM 0 HH22 ARG A 609 8.576 -7.935 13.098 1.00 51.24 H new ATOM 438 N SER A 610 1.470 -12.997 10.808 1.00 72.15 N ATOM 439 CA SER A 610 1.151 -14.368 11.113 1.00 72.55 C ATOM 440 C SER A 610 2.262 -14.988 11.925 1.00 75.11 C ATOM 441 O SER A 610 3.310 -14.363 12.139 1.00 22.43 O ATOM 442 CB SER A 610 0.873 -15.154 9.834 1.00 53.40 C ATOM 443 OG SER A 610 -0.175 -14.551 9.082 1.00 74.22 O ATOM 0 H SER A 610 1.800 -12.849 9.854 1.00 72.15 H new ATOM 0 HA SER A 610 0.241 -14.399 11.713 1.00 72.55 H new ATOM 0 HB2 SER A 610 1.778 -15.203 9.229 1.00 53.40 H new ATOM 0 HB3 SER A 610 0.602 -16.180 10.085 1.00 53.40 H new ATOM 0 HG SER A 610 -0.443 -15.151 8.355 1.00 74.22 H new ATOM 518 N ALA A 615 3.832 -15.356 7.251 1.00 34.25 N ATOM 519 CA ALA A 615 3.081 -14.505 6.391 1.00 73.10 C ATOM 520 C ALA A 615 2.800 -13.249 7.154 1.00 32.23 C ATOM 521 O ALA A 615 2.994 -13.209 8.378 1.00 12.30 O ATOM 522 CB ALA A 615 1.763 -15.164 6.008 1.00 3.34 C ATOM 0 HA ALA A 615 3.639 -14.302 5.477 1.00 73.10 H new ATOM 0 HB1 ALA A 615 1.202 -14.500 5.351 1.00 3.34 H new ATOM 0 HB2 ALA A 615 1.962 -16.103 5.491 1.00 3.34 H new ATOM 0 HB3 ALA A 615 1.180 -15.362 6.908 1.00 3.34 H new ATOM 528 N ASP A 616 2.368 -12.248 6.483 1.00 32.45 N ATOM 529 CA ASP A 616 1.957 -11.038 7.129 1.00 21.14 C ATOM 530 C ASP A 616 0.526 -10.814 6.765 1.00 71.14 C ATOM 531 O ASP A 616 0.065 -11.296 5.724 1.00 10.42 O ATOM 532 CB ASP A 616 2.819 -9.821 6.719 1.00 42.34 C ATOM 533 CG ASP A 616 2.683 -9.445 5.262 1.00 2.15 C ATOM 534 OD1 ASP A 616 3.431 -9.990 4.428 1.00 65.20 O ATOM 535 OD2 ASP A 616 1.835 -8.615 4.937 1.00 21.23 O ATOM 0 H ASP A 616 2.285 -12.234 5.466 1.00 32.45 H new ATOM 0 HA ASP A 616 2.085 -11.141 8.207 1.00 21.14 H new ATOM 0 HB2 ASP A 616 2.540 -8.965 7.334 1.00 42.34 H new ATOM 0 HB3 ASP A 616 3.865 -10.039 6.933 1.00 42.34 H new ATOM 540 N LEU A 617 -0.194 -10.150 7.605 1.00 30.32 N ATOM 541 CA LEU A 617 -1.576 -9.891 7.335 1.00 22.24 C ATOM 542 C LEU A 617 -1.722 -8.509 6.745 1.00 24.54 C ATOM 543 O LEU A 617 -2.778 -8.151 6.225 1.00 63.31 O ATOM 544 CB LEU A 617 -2.424 -10.057 8.602 1.00 64.13 C ATOM 545 CG LEU A 617 -2.360 -11.441 9.274 1.00 33.13 C ATOM 546 CD1 LEU A 617 -3.266 -11.499 10.486 1.00 40.32 C ATOM 547 CD2 LEU A 617 -2.719 -12.546 8.286 1.00 53.32 C ATOM 0 H LEU A 617 0.149 -9.774 8.489 1.00 30.32 H new ATOM 0 HA LEU A 617 -1.942 -10.618 6.610 1.00 22.24 H new ATOM 0 HB2 LEU A 617 -2.110 -9.307 9.328 1.00 64.13 H new ATOM 0 HB3 LEU A 617 -3.463 -9.843 8.352 1.00 64.13 H new ATOM 0 HG LEU A 617 -1.334 -11.600 9.607 1.00 33.13 H new ATOM 0 HD11 LEU A 617 -3.202 -12.487 10.941 1.00 40.32 H new ATOM 0 HD12 LEU A 617 -2.955 -10.745 11.209 1.00 40.32 H new ATOM 0 HD13 LEU A 617 -4.295 -11.306 10.181 1.00 40.32 H new ATOM 0 HD21 LEU A 617 -2.666 -13.513 8.786 1.00 53.32 H new ATOM 0 HD22 LEU A 617 -3.730 -12.386 7.913 1.00 53.32 H new ATOM 0 HD23 LEU A 617 -2.018 -12.530 7.452 1.00 53.32 H new ATOM 559 N GLY A 618 -0.652 -7.758 6.821 1.00 23.13 N ATOM 560 CA GLY A 618 -0.620 -6.431 6.255 1.00 75.43 C ATOM 561 C GLY A 618 -0.842 -5.352 7.282 1.00 10.14 C ATOM 562 O GLY A 618 -0.932 -5.629 8.494 1.00 13.42 O ATOM 0 H GLY A 618 0.216 -8.045 7.273 1.00 23.13 H new ATOM 0 HA2 GLY A 618 0.343 -6.271 5.770 1.00 75.43 H new ATOM 0 HA3 GLY A 618 -1.384 -6.353 5.481 1.00 75.43 H new ATOM 566 N ILE A 619 -0.923 -4.131 6.804 1.00 34.32 N ATOM 567 CA ILE A 619 -1.108 -2.970 7.642 1.00 11.21 C ATOM 568 C ILE A 619 -2.596 -2.673 7.788 1.00 42.41 C ATOM 569 O ILE A 619 -3.309 -2.548 6.798 1.00 5.22 O ATOM 570 CB ILE A 619 -0.393 -1.729 7.015 1.00 14.44 C ATOM 571 CG1 ILE A 619 1.124 -1.965 6.886 1.00 33.14 C ATOM 572 CG2 ILE A 619 -0.663 -0.467 7.823 1.00 43.33 C ATOM 573 CD1 ILE A 619 1.842 -2.146 8.208 1.00 23.24 C ATOM 0 H ILE A 619 -0.861 -3.914 5.809 1.00 34.32 H new ATOM 0 HA ILE A 619 -0.676 -3.174 8.622 1.00 11.21 H new ATOM 0 HB ILE A 619 -0.805 -1.590 6.016 1.00 14.44 H new ATOM 0 HG12 ILE A 619 1.291 -2.849 6.271 1.00 33.14 H new ATOM 0 HG13 ILE A 619 1.567 -1.121 6.358 1.00 33.14 H new ATOM 0 HG21 ILE A 619 -0.152 0.377 7.361 1.00 43.33 H new ATOM 0 HG22 ILE A 619 -1.735 -0.273 7.847 1.00 43.33 H new ATOM 0 HG23 ILE A 619 -0.295 -0.601 8.840 1.00 43.33 H new ATOM 0 HD11 ILE A 619 2.905 -2.307 8.026 1.00 23.24 H new ATOM 0 HD12 ILE A 619 1.710 -1.253 8.819 1.00 23.24 H new ATOM 0 HD13 ILE A 619 1.429 -3.008 8.731 1.00 23.24 H new ATOM 585 N PHE A 620 -3.043 -2.562 9.010 1.00 2.54 N ATOM 586 CA PHE A 620 -4.418 -2.266 9.310 1.00 22.33 C ATOM 587 C PHE A 620 -4.511 -0.977 10.105 1.00 64.41 C ATOM 588 O PHE A 620 -3.580 -0.607 10.819 1.00 15.01 O ATOM 589 CB PHE A 620 -5.058 -3.383 10.139 1.00 21.15 C ATOM 590 CG PHE A 620 -5.115 -4.733 9.492 1.00 12.32 C ATOM 591 CD1 PHE A 620 -6.203 -5.097 8.708 1.00 54.22 C ATOM 592 CD2 PHE A 620 -4.095 -5.653 9.690 1.00 4.33 C ATOM 593 CE1 PHE A 620 -6.268 -6.347 8.133 1.00 64.21 C ATOM 594 CE2 PHE A 620 -4.162 -6.906 9.120 1.00 50.53 C ATOM 595 CZ PHE A 620 -5.248 -7.253 8.342 1.00 33.33 C ATOM 0 H PHE A 620 -2.455 -2.676 9.836 1.00 2.54 H new ATOM 0 HA PHE A 620 -4.946 -2.171 8.361 1.00 22.33 H new ATOM 0 HB2 PHE A 620 -4.507 -3.474 11.075 1.00 21.15 H new ATOM 0 HB3 PHE A 620 -6.074 -3.082 10.395 1.00 21.15 H new ATOM 0 HD1 PHE A 620 -7.006 -4.393 8.548 1.00 54.22 H new ATOM 0 HD2 PHE A 620 -3.242 -5.385 10.296 1.00 4.33 H new ATOM 0 HE1 PHE A 620 -7.115 -6.617 7.520 1.00 64.21 H new ATOM 0 HE2 PHE A 620 -3.365 -7.616 9.282 1.00 50.53 H new ATOM 0 HZ PHE A 620 -5.300 -8.235 7.896 1.00 33.33 H new ATOM 605 N VAL A 621 -5.609 -0.289 9.961 1.00 40.12 N ATOM 606 CA VAL A 621 -5.878 0.896 10.756 1.00 43.23 C ATOM 607 C VAL A 621 -6.177 0.494 12.208 1.00 24.44 C ATOM 608 O VAL A 621 -6.891 -0.468 12.454 1.00 73.33 O ATOM 609 CB VAL A 621 -7.077 1.697 10.192 1.00 53.02 C ATOM 610 CG1 VAL A 621 -7.343 2.939 11.017 1.00 21.44 C ATOM 611 CG2 VAL A 621 -6.841 2.072 8.746 1.00 64.42 C ATOM 0 H VAL A 621 -6.345 -0.525 9.295 1.00 40.12 H new ATOM 0 HA VAL A 621 -4.992 1.530 10.718 1.00 43.23 H new ATOM 0 HB VAL A 621 -7.956 1.055 10.247 1.00 53.02 H new ATOM 0 HG11 VAL A 621 -8.190 3.481 10.596 1.00 21.44 H new ATOM 0 HG12 VAL A 621 -7.569 2.652 12.044 1.00 21.44 H new ATOM 0 HG13 VAL A 621 -6.461 3.579 11.005 1.00 21.44 H new ATOM 0 HG21 VAL A 621 -7.697 2.634 8.372 1.00 64.42 H new ATOM 0 HG22 VAL A 621 -5.943 2.685 8.671 1.00 64.42 H new ATOM 0 HG23 VAL A 621 -6.713 1.167 8.152 1.00 64.42 H new ATOM 621 N LYS A 622 -5.615 1.208 13.140 1.00 30.14 N ATOM 622 CA LYS A 622 -5.828 0.953 14.568 1.00 74.33 C ATOM 623 C LYS A 622 -6.641 2.075 15.206 1.00 61.04 C ATOM 624 O LYS A 622 -7.463 1.842 16.075 1.00 71.14 O ATOM 625 CB LYS A 622 -4.471 0.769 15.277 1.00 1.40 C ATOM 626 CG LYS A 622 -3.489 1.838 14.888 1.00 1.03 C ATOM 627 CD LYS A 622 -2.109 1.741 15.512 1.00 5.12 C ATOM 628 CE LYS A 622 -2.022 2.362 16.915 1.00 21.43 C ATOM 629 NZ LYS A 622 -2.797 1.647 17.940 1.00 71.32 N ATOM 0 H LYS A 622 -4.990 1.991 12.948 1.00 30.14 H new ATOM 0 HA LYS A 622 -6.401 0.033 14.680 1.00 74.33 H new ATOM 0 HB2 LYS A 622 -4.620 0.787 16.357 1.00 1.40 H new ATOM 0 HB3 LYS A 622 -4.061 -0.210 15.028 1.00 1.40 H new ATOM 0 HG2 LYS A 622 -3.376 1.821 13.804 1.00 1.03 H new ATOM 0 HG3 LYS A 622 -3.916 2.806 15.149 1.00 1.03 H new ATOM 0 HD2 LYS A 622 -1.819 0.692 15.570 1.00 5.12 H new ATOM 0 HD3 LYS A 622 -1.389 2.236 14.860 1.00 5.12 H new ATOM 0 HE2 LYS A 622 -0.977 2.393 17.222 1.00 21.43 H new ATOM 0 HE3 LYS A 622 -2.371 3.394 16.866 1.00 21.43 H new ATOM 0 HZ1 LYS A 622 -3.509 2.287 18.346 1.00 71.32 H new ATOM 0 HZ2 LYS A 622 -3.273 0.829 17.508 1.00 71.32 H new ATOM 0 HZ3 LYS A 622 -2.158 1.318 18.692 1.00 71.32 H new ATOM 643 N SER A 623 -6.390 3.289 14.784 1.00 41.15 N ATOM 644 CA SER A 623 -7.105 4.422 15.297 1.00 11.13 C ATOM 645 C SER A 623 -7.181 5.495 14.230 1.00 23.03 C ATOM 646 O SER A 623 -6.247 5.650 13.434 1.00 71.24 O ATOM 647 CB SER A 623 -6.429 4.963 16.568 1.00 63.23 C ATOM 648 OG SER A 623 -7.168 6.028 17.143 1.00 51.23 O ATOM 0 H SER A 623 -5.688 3.515 14.079 1.00 41.15 H new ATOM 0 HA SER A 623 -8.116 4.114 15.565 1.00 11.13 H new ATOM 0 HB2 SER A 623 -6.325 4.158 17.295 1.00 63.23 H new ATOM 0 HB3 SER A 623 -5.423 5.307 16.327 1.00 63.23 H new ATOM 0 HG SER A 623 -6.710 6.346 17.949 1.00 51.23 H new ATOM 654 N ILE A 624 -8.274 6.194 14.185 1.00 51.45 N ATOM 655 CA ILE A 624 -8.438 7.293 13.292 1.00 42.40 C ATOM 656 C ILE A 624 -8.261 8.569 14.079 1.00 35.52 C ATOM 657 O ILE A 624 -8.870 8.747 15.133 1.00 61.32 O ATOM 658 CB ILE A 624 -9.837 7.295 12.581 1.00 43.45 C ATOM 659 CG1 ILE A 624 -10.000 6.100 11.632 1.00 55.31 C ATOM 660 CG2 ILE A 624 -10.043 8.582 11.803 1.00 72.32 C ATOM 661 CD1 ILE A 624 -10.036 4.740 12.271 1.00 11.35 C ATOM 0 H ILE A 624 -9.085 6.013 14.776 1.00 51.45 H new ATOM 0 HA ILE A 624 -7.690 7.207 12.504 1.00 42.40 H new ATOM 0 HB ILE A 624 -10.589 7.216 13.366 1.00 43.45 H new ATOM 0 HG12 ILE A 624 -10.922 6.236 11.066 1.00 55.31 H new ATOM 0 HG13 ILE A 624 -9.180 6.119 10.915 1.00 55.31 H new ATOM 0 HG21 ILE A 624 -11.019 8.562 11.318 1.00 72.32 H new ATOM 0 HG22 ILE A 624 -9.994 9.431 12.485 1.00 72.32 H new ATOM 0 HG23 ILE A 624 -9.264 8.679 11.047 1.00 72.32 H new ATOM 0 HD11 ILE A 624 -10.154 3.979 11.500 1.00 11.35 H new ATOM 0 HD12 ILE A 624 -9.105 4.567 12.812 1.00 11.35 H new ATOM 0 HD13 ILE A 624 -10.874 4.686 12.965 1.00 11.35 H new ATOM 673 N ILE A 625 -7.428 9.438 13.595 1.00 40.04 N ATOM 674 CA ILE A 625 -7.178 10.685 14.287 1.00 62.40 C ATOM 675 C ILE A 625 -8.094 11.760 13.745 1.00 14.21 C ATOM 676 O ILE A 625 -7.978 12.180 12.584 1.00 62.30 O ATOM 677 CB ILE A 625 -5.689 11.139 14.191 1.00 40.43 C ATOM 678 CG1 ILE A 625 -4.774 10.081 14.836 1.00 1.20 C ATOM 679 CG2 ILE A 625 -5.493 12.499 14.865 1.00 1.12 C ATOM 680 CD1 ILE A 625 -3.301 10.416 14.763 1.00 62.22 C ATOM 0 H ILE A 625 -6.906 9.317 12.727 1.00 40.04 H new ATOM 0 HA ILE A 625 -7.386 10.520 15.344 1.00 62.40 H new ATOM 0 HB ILE A 625 -5.423 11.241 13.139 1.00 40.43 H new ATOM 0 HG12 ILE A 625 -5.057 9.959 15.882 1.00 1.20 H new ATOM 0 HG13 ILE A 625 -4.943 9.122 14.346 1.00 1.20 H new ATOM 0 HG21 ILE A 625 -4.447 12.797 14.786 1.00 1.12 H new ATOM 0 HG22 ILE A 625 -6.120 13.243 14.373 1.00 1.12 H new ATOM 0 HG23 ILE A 625 -5.772 12.428 15.916 1.00 1.12 H new ATOM 0 HD11 ILE A 625 -2.724 9.623 15.238 1.00 62.22 H new ATOM 0 HD12 ILE A 625 -3.000 10.508 13.719 1.00 62.22 H new ATOM 0 HD13 ILE A 625 -3.116 11.358 15.279 1.00 62.22 H new ATOM 692 N ASN A 626 -8.999 12.208 14.573 1.00 12.52 N ATOM 693 CA ASN A 626 -9.961 13.206 14.175 1.00 62.34 C ATOM 694 C ASN A 626 -9.350 14.574 14.226 1.00 52.43 C ATOM 695 O ASN A 626 -9.410 15.269 15.236 1.00 31.12 O ATOM 696 CB ASN A 626 -11.250 13.136 15.004 1.00 4.15 C ATOM 697 CG ASN A 626 -12.000 11.829 14.818 1.00 73.13 C ATOM 698 OD1 ASN A 626 -11.953 11.214 13.743 1.00 31.13 O ATOM 699 ND2 ASN A 626 -12.686 11.393 15.851 1.00 63.51 N ATOM 0 H ASN A 626 -9.092 11.894 15.539 1.00 12.52 H new ATOM 0 HA ASN A 626 -10.245 12.994 13.144 1.00 62.34 H new ATOM 0 HB2 ASN A 626 -11.005 13.262 16.059 1.00 4.15 H new ATOM 0 HB3 ASN A 626 -11.900 13.965 14.726 1.00 4.15 H new ATOM 0 HD21 ASN A 626 -13.206 10.518 15.785 1.00 63.51 H new ATOM 0 HD22 ASN A 626 -12.698 11.930 16.718 1.00 63.51 H new ATOM 706 N GLY A 627 -8.726 14.933 13.150 1.00 20.54 N ATOM 707 CA GLY A 627 -8.057 16.194 13.043 1.00 44.13 C ATOM 708 C GLY A 627 -7.390 16.311 11.712 1.00 63.43 C ATOM 709 O GLY A 627 -7.283 17.394 11.158 1.00 0.22 O ATOM 0 H GLY A 627 -8.665 14.355 12.312 1.00 20.54 H new ATOM 0 HA2 GLY A 627 -8.773 17.006 13.172 1.00 44.13 H new ATOM 0 HA3 GLY A 627 -7.318 16.291 13.838 1.00 44.13 H new ATOM 713 N GLY A 628 -6.946 15.181 11.190 1.00 21.20 N ATOM 714 CA GLY A 628 -6.327 15.168 9.889 1.00 52.21 C ATOM 715 C GLY A 628 -7.357 15.092 8.782 1.00 13.51 C ATOM 716 O GLY A 628 -8.524 14.729 9.031 1.00 13.53 O ATOM 0 H GLY A 628 -7.004 14.271 11.647 1.00 21.20 H new ATOM 0 HA2 GLY A 628 -5.723 16.067 9.764 1.00 52.21 H new ATOM 0 HA3 GLY A 628 -5.650 14.317 9.816 1.00 52.21 H new ATOM 720 N ALA A 629 -6.935 15.394 7.567 1.00 12.53 N ATOM 721 CA ALA A 629 -7.822 15.420 6.413 1.00 50.54 C ATOM 722 C ALA A 629 -8.262 14.023 6.034 1.00 54.22 C ATOM 723 O ALA A 629 -9.358 13.825 5.536 1.00 2.03 O ATOM 724 CB ALA A 629 -7.167 16.142 5.234 1.00 2.34 C ATOM 0 H ALA A 629 -5.966 15.629 7.350 1.00 12.53 H new ATOM 0 HA ALA A 629 -8.715 15.982 6.686 1.00 50.54 H new ATOM 0 HB1 ALA A 629 -7.851 16.147 4.385 1.00 2.34 H new ATOM 0 HB2 ALA A 629 -6.935 17.168 5.519 1.00 2.34 H new ATOM 0 HB3 ALA A 629 -6.248 15.626 4.956 1.00 2.34 H new ATOM 730 N ALA A 630 -7.416 13.042 6.316 1.00 73.53 N ATOM 731 CA ALA A 630 -7.727 11.646 6.008 1.00 4.34 C ATOM 732 C ALA A 630 -8.916 11.178 6.803 1.00 75.13 C ATOM 733 O ALA A 630 -9.657 10.291 6.385 1.00 61.23 O ATOM 734 CB ALA A 630 -6.533 10.755 6.271 1.00 55.34 C ATOM 0 H ALA A 630 -6.508 13.183 6.758 1.00 73.53 H new ATOM 0 HA ALA A 630 -7.973 11.583 4.948 1.00 4.34 H new ATOM 0 HB1 ALA A 630 -6.790 9.723 6.034 1.00 55.34 H new ATOM 0 HB2 ALA A 630 -5.697 11.073 5.647 1.00 55.34 H new ATOM 0 HB3 ALA A 630 -6.250 10.827 7.321 1.00 55.34 H new ATOM 740 N SER A 631 -9.105 11.787 7.920 1.00 51.20 N ATOM 741 CA SER A 631 -10.206 11.434 8.762 1.00 22.13 C ATOM 742 C SER A 631 -11.484 12.039 8.219 1.00 32.34 C ATOM 743 O SER A 631 -12.485 11.353 8.072 1.00 34.30 O ATOM 744 CB SER A 631 -9.977 11.885 10.204 1.00 70.41 C ATOM 745 OG SER A 631 -11.077 11.507 11.032 1.00 61.11 O ATOM 0 H SER A 631 -8.512 12.536 8.278 1.00 51.20 H new ATOM 0 HA SER A 631 -10.294 10.348 8.766 1.00 22.13 H new ATOM 0 HB2 SER A 631 -9.058 11.442 10.587 1.00 70.41 H new ATOM 0 HB3 SER A 631 -9.847 12.967 10.236 1.00 70.41 H new ATOM 0 HG SER A 631 -11.480 12.308 11.427 1.00 61.11 H new ATOM 751 N LYS A 632 -11.426 13.302 7.884 1.00 74.41 N ATOM 752 CA LYS A 632 -12.595 14.032 7.440 1.00 70.21 C ATOM 753 C LYS A 632 -12.996 13.640 6.017 1.00 43.52 C ATOM 754 O LYS A 632 -14.161 13.318 5.758 1.00 40.42 O ATOM 755 CB LYS A 632 -12.321 15.532 7.534 1.00 61.40 C ATOM 756 CG LYS A 632 -11.939 15.985 8.937 1.00 20.42 C ATOM 757 CD LYS A 632 -11.586 17.455 8.974 1.00 61.40 C ATOM 758 CE LYS A 632 -11.122 17.873 10.362 1.00 21.21 C ATOM 759 NZ LYS A 632 -10.675 19.279 10.395 1.00 14.20 N ATOM 0 H LYS A 632 -10.570 13.857 7.910 1.00 74.41 H new ATOM 0 HA LYS A 632 -13.432 13.776 8.090 1.00 70.21 H new ATOM 0 HB2 LYS A 632 -11.518 15.792 6.844 1.00 61.40 H new ATOM 0 HB3 LYS A 632 -13.208 16.078 7.212 1.00 61.40 H new ATOM 0 HG2 LYS A 632 -12.767 15.792 9.619 1.00 20.42 H new ATOM 0 HG3 LYS A 632 -11.091 15.398 9.291 1.00 20.42 H new ATOM 0 HD2 LYS A 632 -10.801 17.662 8.247 1.00 61.40 H new ATOM 0 HD3 LYS A 632 -12.453 18.048 8.683 1.00 61.40 H new ATOM 0 HE2 LYS A 632 -11.936 17.735 11.073 1.00 21.21 H new ATOM 0 HE3 LYS A 632 -10.306 17.225 10.682 1.00 21.21 H new ATOM 0 HZ1 LYS A 632 -10.367 19.523 11.358 1.00 14.20 H new ATOM 0 HZ2 LYS A 632 -9.881 19.406 9.735 1.00 14.20 H new ATOM 0 HZ3 LYS A 632 -11.461 19.900 10.115 1.00 14.20 H new ATOM 773 N ASP A 633 -12.040 13.650 5.109 1.00 21.52 N ATOM 774 CA ASP A 633 -12.317 13.355 3.714 1.00 42.23 C ATOM 775 C ASP A 633 -12.465 11.877 3.470 1.00 20.14 C ATOM 776 O ASP A 633 -13.380 11.444 2.767 1.00 4.44 O ATOM 777 CB ASP A 633 -11.239 13.933 2.787 1.00 74.45 C ATOM 778 CG ASP A 633 -11.164 15.436 2.843 1.00 44.23 C ATOM 779 OD1 ASP A 633 -12.070 16.107 2.305 1.00 70.01 O ATOM 780 OD2 ASP A 633 -10.212 15.980 3.422 1.00 22.10 O ATOM 0 H ASP A 633 -11.062 13.859 5.311 1.00 21.52 H new ATOM 0 HA ASP A 633 -13.267 13.836 3.482 1.00 42.23 H new ATOM 0 HB2 ASP A 633 -10.270 13.515 3.060 1.00 74.45 H new ATOM 0 HB3 ASP A 633 -11.443 13.622 1.762 1.00 74.45 H new ATOM 785 N GLY A 634 -11.590 11.101 4.067 1.00 10.15 N ATOM 786 CA GLY A 634 -11.584 9.691 3.796 1.00 63.24 C ATOM 787 C GLY A 634 -12.564 8.896 4.619 1.00 1.04 C ATOM 788 O GLY A 634 -13.266 8.052 4.077 1.00 73.33 O ATOM 0 H GLY A 634 -10.886 11.420 4.732 1.00 10.15 H new ATOM 0 HA2 GLY A 634 -11.804 9.535 2.740 1.00 63.24 H new ATOM 0 HA3 GLY A 634 -10.581 9.303 3.973 1.00 63.24 H new ATOM 792 N ARG A 635 -12.647 9.189 5.920 1.00 4.04 N ATOM 793 CA ARG A 635 -13.514 8.427 6.835 1.00 35.15 C ATOM 794 C ARG A 635 -13.218 6.929 6.781 1.00 15.05 C ATOM 795 O ARG A 635 -13.953 6.152 6.159 1.00 21.41 O ATOM 796 CB ARG A 635 -15.011 8.689 6.585 1.00 4.15 C ATOM 797 CG ARG A 635 -15.539 10.048 7.026 1.00 63.32 C ATOM 798 CD ARG A 635 -15.706 10.138 8.550 1.00 10.32 C ATOM 799 NE ARG A 635 -14.448 10.060 9.309 1.00 12.42 N ATOM 800 CZ ARG A 635 -14.284 9.368 10.446 1.00 14.11 C ATOM 801 NH1 ARG A 635 -15.192 8.482 10.828 1.00 12.45 N ATOM 802 NH2 ARG A 635 -13.184 9.537 11.179 1.00 64.33 N ATOM 0 H ARG A 635 -12.128 9.945 6.366 1.00 4.04 H new ATOM 0 HA ARG A 635 -13.282 8.786 7.838 1.00 35.15 H new ATOM 0 HB2 ARG A 635 -15.205 8.576 5.518 1.00 4.15 H new ATOM 0 HB3 ARG A 635 -15.584 7.916 7.097 1.00 4.15 H new ATOM 0 HG2 ARG A 635 -14.856 10.828 6.690 1.00 63.32 H new ATOM 0 HG3 ARG A 635 -16.499 10.237 6.545 1.00 63.32 H new ATOM 0 HD2 ARG A 635 -16.204 11.077 8.793 1.00 10.32 H new ATOM 0 HD3 ARG A 635 -16.364 9.333 8.879 1.00 10.32 H new ATOM 0 HE ARG A 635 -13.643 10.569 8.944 1.00 12.42 H new ATOM 0 HH11 ARG A 635 -16.022 8.323 10.256 1.00 12.45 H new ATOM 0 HH12 ARG A 635 -15.061 7.959 11.694 1.00 12.45 H new ATOM 0 HH21 ARG A 635 -12.465 10.194 10.876 1.00 64.33 H new ATOM 0 HH22 ARG A 635 -13.061 9.010 12.043 1.00 64.33 H new ATOM 816 N LEU A 636 -12.121 6.535 7.380 1.00 71.03 N ATOM 817 CA LEU A 636 -11.739 5.136 7.391 1.00 24.31 C ATOM 818 C LEU A 636 -12.271 4.473 8.624 1.00 70.41 C ATOM 819 O LEU A 636 -12.957 5.107 9.438 1.00 2.50 O ATOM 820 CB LEU A 636 -10.206 4.914 7.293 1.00 43.03 C ATOM 821 CG LEU A 636 -9.498 5.373 6.007 1.00 61.10 C ATOM 822 CD1 LEU A 636 -9.459 6.877 5.900 1.00 13.01 C ATOM 823 CD2 LEU A 636 -8.102 4.782 5.918 1.00 63.04 C ATOM 0 H LEU A 636 -11.476 7.158 7.866 1.00 71.03 H new ATOM 0 HA LEU A 636 -12.176 4.687 6.499 1.00 24.31 H new ATOM 0 HB2 LEU A 636 -9.739 5.426 8.134 1.00 43.03 H new ATOM 0 HB3 LEU A 636 -10.013 3.849 7.421 1.00 43.03 H new ATOM 0 HG LEU A 636 -10.078 5.003 5.162 1.00 61.10 H new ATOM 0 HD11 LEU A 636 -8.951 7.163 4.979 1.00 13.01 H new ATOM 0 HD12 LEU A 636 -10.477 7.268 5.890 1.00 13.01 H new ATOM 0 HD13 LEU A 636 -8.921 7.289 6.754 1.00 13.01 H new ATOM 0 HD21 LEU A 636 -7.621 5.121 5.000 1.00 63.04 H new ATOM 0 HD22 LEU A 636 -7.514 5.106 6.777 1.00 63.04 H new ATOM 0 HD23 LEU A 636 -8.167 3.694 5.913 1.00 63.04 H new ATOM 835 N ARG A 637 -11.952 3.228 8.781 1.00 23.23 N ATOM 836 CA ARG A 637 -12.432 2.468 9.904 1.00 44.51 C ATOM 837 C ARG A 637 -11.267 1.772 10.567 1.00 61.13 C ATOM 838 O ARG A 637 -10.192 1.658 9.981 1.00 61.01 O ATOM 839 CB ARG A 637 -13.455 1.425 9.451 1.00 35.45 C ATOM 840 CG ARG A 637 -12.862 0.276 8.683 1.00 53.54 C ATOM 841 CD ARG A 637 -13.916 -0.649 8.163 1.00 40.03 C ATOM 842 NE ARG A 637 -14.654 -0.050 7.042 1.00 1.34 N ATOM 843 CZ ARG A 637 -15.984 0.015 6.945 1.00 32.24 C ATOM 844 NH1 ARG A 637 -16.744 -0.407 7.930 1.00 72.14 N ATOM 845 NH2 ARG A 637 -16.548 0.539 5.872 1.00 60.33 N ATOM 0 H ARG A 637 -11.354 2.706 8.140 1.00 23.23 H new ATOM 0 HA ARG A 637 -12.914 3.146 10.608 1.00 44.51 H new ATOM 0 HB2 ARG A 637 -13.972 1.034 10.328 1.00 35.45 H new ATOM 0 HB3 ARG A 637 -14.206 1.914 8.830 1.00 35.45 H new ATOM 0 HG2 ARG A 637 -12.274 0.661 7.850 1.00 53.54 H new ATOM 0 HG3 ARG A 637 -12.179 -0.277 9.327 1.00 53.54 H new ATOM 0 HD2 ARG A 637 -13.455 -1.582 7.839 1.00 40.03 H new ATOM 0 HD3 ARG A 637 -14.611 -0.898 8.965 1.00 40.03 H new ATOM 0 HE ARG A 637 -14.107 0.347 6.278 1.00 1.34 H new ATOM 0 HH11 ARG A 637 -16.319 -0.787 8.776 1.00 72.14 H new ATOM 0 HH12 ARG A 637 -17.759 -0.354 7.849 1.00 72.14 H new ATOM 0 HH21 ARG A 637 -15.967 0.896 5.113 1.00 60.33 H new ATOM 0 HH22 ARG A 637 -17.564 0.587 5.802 1.00 60.33 H new ATOM 859 N VAL A 638 -11.482 1.316 11.762 1.00 11.03 N ATOM 860 CA VAL A 638 -10.473 0.583 12.501 1.00 70.44 C ATOM 861 C VAL A 638 -10.476 -0.871 12.008 1.00 22.32 C ATOM 862 O VAL A 638 -11.532 -1.389 11.639 1.00 64.41 O ATOM 863 CB VAL A 638 -10.762 0.622 14.030 1.00 23.45 C ATOM 864 CG1 VAL A 638 -9.701 -0.127 14.819 1.00 71.14 C ATOM 865 CG2 VAL A 638 -10.874 2.053 14.530 1.00 61.14 C ATOM 0 H VAL A 638 -12.362 1.436 12.264 1.00 11.03 H new ATOM 0 HA VAL A 638 -9.499 1.042 12.334 1.00 70.44 H new ATOM 0 HB VAL A 638 -11.718 0.122 14.188 1.00 23.45 H new ATOM 0 HG11 VAL A 638 -9.936 -0.078 15.882 1.00 71.14 H new ATOM 0 HG12 VAL A 638 -9.678 -1.169 14.500 1.00 71.14 H new ATOM 0 HG13 VAL A 638 -8.727 0.328 14.642 1.00 71.14 H new ATOM 0 HG21 VAL A 638 -11.076 2.049 15.601 1.00 61.14 H new ATOM 0 HG22 VAL A 638 -9.939 2.579 14.339 1.00 61.14 H new ATOM 0 HG23 VAL A 638 -11.688 2.558 14.009 1.00 61.14 H new ATOM 875 N ASN A 639 -9.289 -1.501 11.981 1.00 42.00 N ATOM 876 CA ASN A 639 -9.098 -2.904 11.528 1.00 3.52 C ATOM 877 C ASN A 639 -9.272 -2.999 9.997 1.00 44.11 C ATOM 878 O ASN A 639 -9.498 -4.076 9.436 1.00 60.43 O ATOM 879 CB ASN A 639 -10.071 -3.871 12.282 1.00 43.12 C ATOM 880 CG ASN A 639 -9.885 -5.374 11.978 1.00 11.15 C ATOM 881 OD1 ASN A 639 -10.854 -6.138 11.979 1.00 14.34 O ATOM 882 ND2 ASN A 639 -8.659 -5.818 11.768 1.00 72.41 N ATOM 0 H ASN A 639 -8.421 -1.052 12.275 1.00 42.00 H new ATOM 0 HA ASN A 639 -8.082 -3.215 11.770 1.00 3.52 H new ATOM 0 HB2 ASN A 639 -9.949 -3.717 13.354 1.00 43.12 H new ATOM 0 HB3 ASN A 639 -11.095 -3.593 12.035 1.00 43.12 H new ATOM 0 HD21 ASN A 639 -8.498 -6.811 11.602 1.00 72.41 H new ATOM 0 HD22 ASN A 639 -7.873 -5.167 11.772 1.00 72.41 H new ATOM 889 N ASP A 640 -9.125 -1.874 9.317 1.00 53.23 N ATOM 890 CA ASP A 640 -9.254 -1.874 7.866 1.00 2.24 C ATOM 891 C ASP A 640 -7.876 -2.079 7.255 1.00 61.04 C ATOM 892 O ASP A 640 -6.883 -1.661 7.842 1.00 25.42 O ATOM 893 CB ASP A 640 -9.864 -0.582 7.369 1.00 24.52 C ATOM 894 CG ASP A 640 -10.444 -0.743 5.981 1.00 35.35 C ATOM 895 OD1 ASP A 640 -11.627 -1.181 5.887 1.00 52.23 O ATOM 896 OD2 ASP A 640 -9.754 -0.471 5.013 1.00 32.52 O ATOM 0 H ASP A 640 -8.920 -0.966 9.734 1.00 53.23 H new ATOM 0 HA ASP A 640 -9.919 -2.684 7.567 1.00 2.24 H new ATOM 0 HB2 ASP A 640 -10.646 -0.259 8.056 1.00 24.52 H new ATOM 0 HB3 ASP A 640 -9.105 0.200 7.359 1.00 24.52 H new ATOM 901 N GLN A 641 -7.820 -2.693 6.101 1.00 3.33 N ATOM 902 CA GLN A 641 -6.561 -3.092 5.487 1.00 14.54 C ATOM 903 C GLN A 641 -6.027 -2.053 4.512 1.00 0.23 C ATOM 904 O GLN A 641 -6.703 -1.671 3.576 1.00 13.04 O ATOM 905 CB GLN A 641 -6.741 -4.441 4.764 1.00 41.10 C ATOM 906 CG GLN A 641 -5.554 -4.856 3.896 1.00 22.24 C ATOM 907 CD GLN A 641 -4.274 -5.066 4.673 1.00 73.31 C ATOM 908 OE1 GLN A 641 -3.170 -4.762 4.059 1.00 55.22 O flip ATOM 909 NE2 GLN A 641 -4.292 -5.468 5.817 1.00 3.15 N flip ATOM 0 H GLN A 641 -8.645 -2.935 5.552 1.00 3.33 H new ATOM 0 HA GLN A 641 -5.828 -3.187 6.288 1.00 14.54 H new ATOM 0 HB2 GLN A 641 -6.920 -5.217 5.508 1.00 41.10 H new ATOM 0 HB3 GLN A 641 -7.632 -4.388 4.138 1.00 41.10 H new ATOM 0 HG2 GLN A 641 -5.805 -5.778 3.371 1.00 22.24 H new ATOM 0 HG3 GLN A 641 -5.386 -4.092 3.137 1.00 22.24 H new ATOM 0 HE21 GLN A 641 -5.180 -5.696 6.264 1.00 3.15 H new ATOM 0 HE22 GLN A 641 -3.419 -5.578 6.333 1.00 3.15 H new ATOM 918 N LEU A 642 -4.798 -1.632 4.725 1.00 43.52 N ATOM 919 CA LEU A 642 -4.144 -0.710 3.826 1.00 43.45 C ATOM 920 C LEU A 642 -3.490 -1.465 2.683 1.00 3.41 C ATOM 921 O LEU A 642 -2.517 -2.198 2.867 1.00 22.53 O ATOM 922 CB LEU A 642 -3.147 0.249 4.540 1.00 61.04 C ATOM 923 CG LEU A 642 -3.729 1.324 5.453 1.00 1.23 C ATOM 924 CD1 LEU A 642 -4.402 0.721 6.669 1.00 43.31 C ATOM 925 CD2 LEU A 642 -2.650 2.301 5.859 1.00 63.51 C ATOM 0 H LEU A 642 -4.229 -1.918 5.522 1.00 43.52 H new ATOM 0 HA LEU A 642 -4.917 -0.060 3.416 1.00 43.45 H new ATOM 0 HB2 LEU A 642 -2.462 -0.359 5.131 1.00 61.04 H new ATOM 0 HB3 LEU A 642 -2.552 0.746 3.774 1.00 61.04 H new ATOM 0 HG LEU A 642 -4.496 1.861 4.896 1.00 1.23 H new ATOM 0 HD11 LEU A 642 -4.804 1.518 7.295 1.00 43.31 H new ATOM 0 HD12 LEU A 642 -5.213 0.067 6.349 1.00 43.31 H new ATOM 0 HD13 LEU A 642 -3.674 0.144 7.239 1.00 43.31 H new ATOM 0 HD21 LEU A 642 -3.076 3.064 6.510 1.00 63.51 H new ATOM 0 HD22 LEU A 642 -1.860 1.770 6.390 1.00 63.51 H new ATOM 0 HD23 LEU A 642 -2.234 2.774 4.969 1.00 63.51 H new ATOM 937 N ILE A 643 -4.045 -1.291 1.513 1.00 51.23 N ATOM 938 CA ILE A 643 -3.606 -1.996 0.331 1.00 31.11 C ATOM 939 C ILE A 643 -2.458 -1.265 -0.326 1.00 65.15 C ATOM 940 O ILE A 643 -1.377 -1.822 -0.521 1.00 11.42 O ATOM 941 CB ILE A 643 -4.755 -2.101 -0.706 1.00 1.31 C ATOM 942 CG1 ILE A 643 -5.989 -2.771 -0.095 1.00 11.43 C ATOM 943 CG2 ILE A 643 -4.299 -2.853 -1.960 1.00 3.23 C ATOM 944 CD1 ILE A 643 -5.779 -4.206 0.334 1.00 15.41 C ATOM 0 H ILE A 643 -4.822 -0.651 1.349 1.00 51.23 H new ATOM 0 HA ILE A 643 -3.292 -2.992 0.645 1.00 31.11 H new ATOM 0 HB ILE A 643 -5.029 -1.087 -0.999 1.00 1.31 H new ATOM 0 HG12 ILE A 643 -6.311 -2.190 0.770 1.00 11.43 H new ATOM 0 HG13 ILE A 643 -6.801 -2.738 -0.821 1.00 11.43 H new ATOM 0 HG21 ILE A 643 -5.124 -2.912 -2.669 1.00 3.23 H new ATOM 0 HG22 ILE A 643 -3.464 -2.324 -2.418 1.00 3.23 H new ATOM 0 HG23 ILE A 643 -3.984 -3.860 -1.686 1.00 3.23 H new ATOM 0 HD11 ILE A 643 -6.705 -4.599 0.755 1.00 15.41 H new ATOM 0 HD12 ILE A 643 -5.489 -4.805 -0.529 1.00 15.41 H new ATOM 0 HD13 ILE A 643 -4.991 -4.249 1.086 1.00 15.41 H new ATOM 956 N ALA A 644 -2.693 -0.026 -0.663 1.00 20.02 N ATOM 957 CA ALA A 644 -1.723 0.746 -1.393 1.00 71.41 C ATOM 958 C ALA A 644 -1.730 2.199 -0.957 1.00 64.12 C ATOM 959 O ALA A 644 -2.731 2.696 -0.440 1.00 62.31 O ATOM 960 CB ALA A 644 -2.004 0.632 -2.891 1.00 52.41 C ATOM 0 H ALA A 644 -3.554 0.474 -0.442 1.00 20.02 H new ATOM 0 HA ALA A 644 -0.731 0.347 -1.180 1.00 71.41 H new ATOM 0 HB1 ALA A 644 -1.269 1.217 -3.445 1.00 52.41 H new ATOM 0 HB2 ALA A 644 -1.940 -0.413 -3.195 1.00 52.41 H new ATOM 0 HB3 ALA A 644 -3.004 1.011 -3.103 1.00 52.41 H new ATOM 966 N VAL A 645 -0.618 2.865 -1.166 1.00 12.35 N ATOM 967 CA VAL A 645 -0.472 4.263 -0.840 1.00 64.11 C ATOM 968 C VAL A 645 0.181 4.987 -2.019 1.00 74.32 C ATOM 969 O VAL A 645 1.192 4.535 -2.529 1.00 64.44 O ATOM 970 CB VAL A 645 0.362 4.474 0.460 1.00 54.11 C ATOM 971 CG1 VAL A 645 1.789 3.959 0.327 1.00 15.23 C ATOM 972 CG2 VAL A 645 0.335 5.925 0.877 1.00 2.45 C ATOM 0 H VAL A 645 0.219 2.446 -1.571 1.00 12.35 H new ATOM 0 HA VAL A 645 -1.463 4.678 -0.653 1.00 64.11 H new ATOM 0 HB VAL A 645 -0.106 3.880 1.246 1.00 54.11 H new ATOM 0 HG11 VAL A 645 2.326 4.130 1.260 1.00 15.23 H new ATOM 0 HG12 VAL A 645 1.772 2.891 0.109 1.00 15.23 H new ATOM 0 HG13 VAL A 645 2.292 4.486 -0.483 1.00 15.23 H new ATOM 0 HG21 VAL A 645 0.922 6.053 1.786 1.00 2.45 H new ATOM 0 HG22 VAL A 645 0.757 6.540 0.082 1.00 2.45 H new ATOM 0 HG23 VAL A 645 -0.694 6.231 1.064 1.00 2.45 H new ATOM 982 N ASN A 646 -0.415 6.097 -2.456 1.00 63.22 N ATOM 983 CA ASN A 646 0.061 6.849 -3.651 1.00 23.45 C ATOM 984 C ASN A 646 0.323 5.938 -4.848 1.00 71.12 C ATOM 985 O ASN A 646 1.223 6.176 -5.652 1.00 54.31 O ATOM 986 CB ASN A 646 1.273 7.732 -3.313 1.00 52.31 C ATOM 987 CG ASN A 646 0.853 8.915 -2.477 1.00 34.33 C ATOM 988 OD1 ASN A 646 -0.253 9.397 -2.615 1.00 43.25 O ATOM 989 ND2 ASN A 646 1.708 9.388 -1.611 1.00 42.21 N ATOM 0 H ASN A 646 -1.233 6.509 -2.008 1.00 63.22 H new ATOM 0 HA ASN A 646 -0.748 7.515 -3.952 1.00 23.45 H new ATOM 0 HB2 ASN A 646 2.018 7.146 -2.775 1.00 52.31 H new ATOM 0 HB3 ASN A 646 1.744 8.079 -4.233 1.00 52.31 H new ATOM 0 HD21 ASN A 646 1.454 10.185 -1.027 1.00 42.21 H new ATOM 0 HD22 ASN A 646 2.630 8.961 -1.519 1.00 42.21 H new ATOM 996 N GLY A 647 -0.515 4.927 -4.979 1.00 30.31 N ATOM 997 CA GLY A 647 -0.378 3.967 -6.059 1.00 22.14 C ATOM 998 C GLY A 647 0.683 2.870 -5.829 1.00 2.34 C ATOM 999 O GLY A 647 0.868 2.001 -6.691 1.00 53.25 O ATOM 0 H GLY A 647 -1.298 4.749 -4.351 1.00 30.31 H new ATOM 0 HA2 GLY A 647 -1.343 3.488 -6.223 1.00 22.14 H new ATOM 0 HA3 GLY A 647 -0.129 4.505 -6.974 1.00 22.14 H new ATOM 1003 N GLU A 648 1.379 2.908 -4.701 1.00 4.12 N ATOM 1004 CA GLU A 648 2.394 1.914 -4.387 1.00 43.52 C ATOM 1005 C GLU A 648 1.722 0.828 -3.530 1.00 1.10 C ATOM 1006 O GLU A 648 1.064 1.145 -2.539 1.00 50.04 O ATOM 1007 CB GLU A 648 3.527 2.582 -3.589 1.00 3.10 C ATOM 1008 CG GLU A 648 4.877 1.868 -3.627 1.00 34.44 C ATOM 1009 CD GLU A 648 4.838 0.411 -3.230 1.00 31.24 C ATOM 1010 OE1 GLU A 648 4.758 0.104 -2.036 1.00 44.30 O ATOM 1011 OE2 GLU A 648 4.877 -0.455 -4.134 1.00 15.12 O ATOM 0 H GLU A 648 1.257 3.623 -3.984 1.00 4.12 H new ATOM 0 HA GLU A 648 2.814 1.480 -5.294 1.00 43.52 H new ATOM 0 HB2 GLU A 648 3.663 3.596 -3.966 1.00 3.10 H new ATOM 0 HB3 GLU A 648 3.212 2.668 -2.549 1.00 3.10 H new ATOM 0 HG2 GLU A 648 5.283 1.944 -4.636 1.00 34.44 H new ATOM 0 HG3 GLU A 648 5.567 2.391 -2.965 1.00 34.44 H new ATOM 1018 N SER A 649 1.897 -0.413 -3.904 1.00 13.01 N ATOM 1019 CA SER A 649 1.243 -1.516 -3.244 1.00 54.00 C ATOM 1020 C SER A 649 1.973 -1.957 -1.963 1.00 13.50 C ATOM 1021 O SER A 649 3.036 -2.600 -2.009 1.00 32.23 O ATOM 1022 CB SER A 649 1.137 -2.674 -4.210 1.00 3.32 C ATOM 1023 OG SER A 649 0.486 -2.265 -5.399 1.00 62.21 O ATOM 0 H SER A 649 2.500 -0.690 -4.679 1.00 13.01 H new ATOM 0 HA SER A 649 0.251 -1.183 -2.938 1.00 54.00 H new ATOM 0 HB2 SER A 649 2.132 -3.053 -4.444 1.00 3.32 H new ATOM 0 HB3 SER A 649 0.585 -3.492 -3.748 1.00 3.32 H new ATOM 0 HG SER A 649 0.425 -3.024 -6.016 1.00 62.21 H new ATOM 1029 N LEU A 650 1.393 -1.624 -0.831 1.00 14.42 N ATOM 1030 CA LEU A 650 1.939 -2.007 0.457 1.00 4.42 C ATOM 1031 C LEU A 650 1.594 -3.448 0.750 1.00 14.32 C ATOM 1032 O LEU A 650 2.330 -4.146 1.423 1.00 21.33 O ATOM 1033 CB LEU A 650 1.381 -1.119 1.568 1.00 63.53 C ATOM 1034 CG LEU A 650 1.680 0.372 1.464 1.00 2.30 C ATOM 1035 CD1 LEU A 650 1.068 1.111 2.639 1.00 30.53 C ATOM 1036 CD2 LEU A 650 3.182 0.617 1.398 1.00 24.01 C ATOM 0 H LEU A 650 0.531 -1.081 -0.775 1.00 14.42 H new ATOM 0 HA LEU A 650 3.022 -1.886 0.420 1.00 4.42 H new ATOM 0 HB2 LEU A 650 0.299 -1.248 1.597 1.00 63.53 H new ATOM 0 HB3 LEU A 650 1.771 -1.479 2.520 1.00 63.53 H new ATOM 0 HG LEU A 650 1.235 0.752 0.544 1.00 2.30 H new ATOM 0 HD11 LEU A 650 1.288 2.175 2.554 1.00 30.53 H new ATOM 0 HD12 LEU A 650 -0.012 0.963 2.640 1.00 30.53 H new ATOM 0 HD13 LEU A 650 1.487 0.727 3.569 1.00 30.53 H new ATOM 0 HD21 LEU A 650 3.373 1.688 1.324 1.00 24.01 H new ATOM 0 HD22 LEU A 650 3.654 0.225 2.299 1.00 24.01 H new ATOM 0 HD23 LEU A 650 3.595 0.114 0.524 1.00 24.01 H new ATOM 1048 N LEU A 651 0.476 -3.894 0.202 1.00 23.34 N ATOM 1049 CA LEU A 651 -0.015 -5.258 0.402 1.00 34.55 C ATOM 1050 C LEU A 651 0.929 -6.307 -0.227 1.00 24.20 C ATOM 1051 O LEU A 651 0.825 -7.501 0.047 1.00 25.44 O ATOM 1052 CB LEU A 651 -1.433 -5.394 -0.179 1.00 3.14 C ATOM 1053 CG LEU A 651 -2.129 -6.745 0.026 1.00 52.35 C ATOM 1054 CD1 LEU A 651 -2.317 -7.033 1.507 1.00 12.31 C ATOM 1055 CD2 LEU A 651 -3.461 -6.771 -0.689 1.00 22.24 C ATOM 0 H LEU A 651 -0.122 -3.324 -0.396 1.00 23.34 H new ATOM 0 HA LEU A 651 -0.044 -5.450 1.475 1.00 34.55 H new ATOM 0 HB2 LEU A 651 -2.058 -4.618 0.262 1.00 3.14 H new ATOM 0 HB3 LEU A 651 -1.384 -5.194 -1.249 1.00 3.14 H new ATOM 0 HG LEU A 651 -1.494 -7.523 -0.398 1.00 52.35 H new ATOM 0 HD11 LEU A 651 -2.813 -7.996 1.630 1.00 12.31 H new ATOM 0 HD12 LEU A 651 -1.345 -7.060 1.999 1.00 12.31 H new ATOM 0 HD13 LEU A 651 -2.929 -6.250 1.955 1.00 12.31 H new ATOM 0 HD21 LEU A 651 -3.940 -7.738 -0.532 1.00 22.24 H new ATOM 0 HD22 LEU A 651 -4.101 -5.981 -0.295 1.00 22.24 H new ATOM 0 HD23 LEU A 651 -3.304 -6.613 -1.756 1.00 22.24 H new ATOM 1067 N GLY A 652 1.843 -5.852 -1.060 1.00 11.50 N ATOM 1068 CA GLY A 652 2.773 -6.753 -1.694 1.00 24.31 C ATOM 1069 C GLY A 652 4.052 -6.917 -0.895 1.00 65.24 C ATOM 1070 O GLY A 652 4.902 -7.733 -1.243 1.00 73.23 O ATOM 0 H GLY A 652 1.958 -4.870 -1.310 1.00 11.50 H new ATOM 0 HA2 GLY A 652 2.301 -7.727 -1.824 1.00 24.31 H new ATOM 0 HA3 GLY A 652 3.014 -6.381 -2.690 1.00 24.31 H new ATOM 1074 N LYS A 653 4.179 -6.164 0.181 1.00 53.41 N ATOM 1075 CA LYS A 653 5.373 -6.188 1.008 1.00 35.44 C ATOM 1076 C LYS A 653 4.996 -6.358 2.480 1.00 44.42 C ATOM 1077 O LYS A 653 3.839 -6.168 2.841 1.00 20.33 O ATOM 1078 CB LYS A 653 6.218 -4.920 0.765 1.00 32.40 C ATOM 1079 CG LYS A 653 5.459 -3.604 0.945 1.00 74.21 C ATOM 1080 CD LYS A 653 6.343 -2.380 0.680 1.00 30.13 C ATOM 1081 CE LYS A 653 6.897 -2.336 -0.749 1.00 34.25 C ATOM 1082 NZ LYS A 653 5.834 -2.245 -1.783 1.00 54.33 N ATOM 0 H LYS A 653 3.459 -5.519 0.507 1.00 53.41 H new ATOM 0 HA LYS A 653 5.987 -7.045 0.730 1.00 35.44 H new ATOM 0 HB2 LYS A 653 7.068 -4.930 1.447 1.00 32.40 H new ATOM 0 HB3 LYS A 653 6.621 -4.956 -0.247 1.00 32.40 H new ATOM 0 HG2 LYS A 653 4.604 -3.585 0.269 1.00 74.21 H new ATOM 0 HG3 LYS A 653 5.064 -3.551 1.960 1.00 74.21 H new ATOM 0 HD2 LYS A 653 5.765 -1.475 0.867 1.00 30.13 H new ATOM 0 HD3 LYS A 653 7.174 -2.380 1.386 1.00 30.13 H new ATOM 0 HE2 LYS A 653 7.565 -1.481 -0.847 1.00 34.25 H new ATOM 0 HE3 LYS A 653 7.495 -3.230 -0.928 1.00 34.25 H new ATOM 0 HZ1 LYS A 653 6.269 -2.236 -2.728 1.00 54.33 H new ATOM 0 HZ2 LYS A 653 5.199 -3.065 -1.702 1.00 54.33 H new ATOM 0 HZ3 LYS A 653 5.289 -1.370 -1.644 1.00 54.33 H new ATOM 1096 N ALA A 654 5.960 -6.739 3.311 1.00 30.32 N ATOM 1097 CA ALA A 654 5.706 -6.983 4.735 1.00 73.13 C ATOM 1098 C ALA A 654 5.401 -5.684 5.464 1.00 1.53 C ATOM 1099 O ALA A 654 5.737 -4.621 4.977 1.00 73.41 O ATOM 1100 CB ALA A 654 6.887 -7.693 5.375 1.00 62.41 C ATOM 0 H ALA A 654 6.928 -6.887 3.027 1.00 30.32 H new ATOM 0 HA ALA A 654 4.831 -7.628 4.817 1.00 73.13 H new ATOM 0 HB1 ALA A 654 6.679 -7.865 6.431 1.00 62.41 H new ATOM 0 HB2 ALA A 654 7.050 -8.649 4.877 1.00 62.41 H new ATOM 0 HB3 ALA A 654 7.780 -7.075 5.277 1.00 62.41 H new ATOM 1106 N ASN A 655 4.794 -5.792 6.645 1.00 60.41 N ATOM 1107 CA ASN A 655 4.335 -4.620 7.439 1.00 10.13 C ATOM 1108 C ASN A 655 5.422 -3.582 7.624 1.00 52.11 C ATOM 1109 O ASN A 655 5.213 -2.393 7.391 1.00 31.20 O ATOM 1110 CB ASN A 655 3.883 -5.046 8.837 1.00 32.43 C ATOM 1111 CG ASN A 655 2.818 -6.100 8.844 1.00 21.41 C ATOM 1112 OD1 ASN A 655 2.044 -6.225 7.926 1.00 1.10 O ATOM 1113 ND2 ASN A 655 2.764 -6.845 9.897 1.00 1.24 N ATOM 0 H ASN A 655 4.600 -6.689 7.091 1.00 60.41 H new ATOM 0 HA ASN A 655 3.510 -4.190 6.871 1.00 10.13 H new ATOM 0 HB2 ASN A 655 4.747 -5.415 9.389 1.00 32.43 H new ATOM 0 HB3 ASN A 655 3.515 -4.170 9.370 1.00 32.43 H new ATOM 0 HD21 ASN A 655 2.050 -7.569 9.973 1.00 1.24 H new ATOM 0 HD22 ASN A 655 3.436 -6.710 10.653 1.00 1.24 H new ATOM 1120 N GLN A 656 6.575 -4.038 8.018 1.00 3.12 N ATOM 1121 CA GLN A 656 7.704 -3.174 8.265 1.00 71.21 C ATOM 1122 C GLN A 656 8.246 -2.550 6.984 1.00 21.30 C ATOM 1123 O GLN A 656 8.627 -1.383 6.978 1.00 14.34 O ATOM 1124 CB GLN A 656 8.769 -3.917 9.050 1.00 32.34 C ATOM 1125 CG GLN A 656 9.147 -5.257 8.463 1.00 32.33 C ATOM 1126 CD GLN A 656 10.150 -5.977 9.310 1.00 43.43 C ATOM 1127 OE1 GLN A 656 11.356 -5.852 9.114 1.00 51.02 O ATOM 1128 NE2 GLN A 656 9.663 -6.700 10.290 1.00 1.24 N ATOM 0 H GLN A 656 6.765 -5.027 8.180 1.00 3.12 H new ATOM 0 HA GLN A 656 7.365 -2.336 8.874 1.00 71.21 H new ATOM 0 HB2 GLN A 656 9.661 -3.294 9.110 1.00 32.34 H new ATOM 0 HB3 GLN A 656 8.415 -4.066 10.070 1.00 32.34 H new ATOM 0 HG2 GLN A 656 8.253 -5.872 8.358 1.00 32.33 H new ATOM 0 HG3 GLN A 656 9.554 -5.113 7.462 1.00 32.33 H new ATOM 0 HE21 GLN A 656 8.654 -6.776 10.415 1.00 1.24 H new ATOM 0 HE22 GLN A 656 10.294 -7.187 10.927 1.00 1.24 H new ATOM 1137 N GLU A 657 8.231 -3.311 5.898 1.00 54.13 N ATOM 1138 CA GLU A 657 8.684 -2.805 4.602 1.00 33.54 C ATOM 1139 C GLU A 657 7.668 -1.779 4.116 1.00 73.14 C ATOM 1140 O GLU A 657 8.012 -0.739 3.528 1.00 15.23 O ATOM 1141 CB GLU A 657 8.749 -3.945 3.573 1.00 61.32 C ATOM 1142 CG GLU A 657 9.586 -5.148 3.989 1.00 45.51 C ATOM 1143 CD GLU A 657 11.004 -4.797 4.330 1.00 10.24 C ATOM 1144 OE1 GLU A 657 11.811 -4.551 3.418 1.00 75.23 O ATOM 1145 OE2 GLU A 657 11.346 -4.790 5.518 1.00 4.32 O ATOM 0 H GLU A 657 7.911 -4.280 5.885 1.00 54.13 H new ATOM 0 HA GLU A 657 9.676 -2.366 4.711 1.00 33.54 H new ATOM 0 HB2 GLU A 657 7.734 -4.283 3.365 1.00 61.32 H new ATOM 0 HB3 GLU A 657 9.150 -3.549 2.640 1.00 61.32 H new ATOM 0 HG2 GLU A 657 9.120 -5.625 4.851 1.00 45.51 H new ATOM 0 HG3 GLU A 657 9.585 -5.879 3.181 1.00 45.51 H new ATOM 1152 N ALA A 658 6.410 -2.097 4.378 1.00 52.15 N ATOM 1153 CA ALA A 658 5.290 -1.277 4.021 1.00 42.32 C ATOM 1154 C ALA A 658 5.363 0.060 4.702 1.00 42.23 C ATOM 1155 O ALA A 658 5.159 1.056 4.077 1.00 2.52 O ATOM 1156 CB ALA A 658 3.977 -1.973 4.348 1.00 60.54 C ATOM 0 H ALA A 658 6.145 -2.957 4.858 1.00 52.15 H new ATOM 0 HA ALA A 658 5.329 -1.113 2.944 1.00 42.32 H new ATOM 0 HB1 ALA A 658 3.144 -1.329 4.067 1.00 60.54 H new ATOM 0 HB2 ALA A 658 3.914 -2.910 3.794 1.00 60.54 H new ATOM 0 HB3 ALA A 658 3.931 -2.180 5.417 1.00 60.54 H new ATOM 1162 N MET A 659 5.685 0.072 5.988 1.00 12.13 N ATOM 1163 CA MET A 659 5.785 1.334 6.734 1.00 34.44 C ATOM 1164 C MET A 659 6.859 2.241 6.191 1.00 4.32 C ATOM 1165 O MET A 659 6.646 3.453 6.068 1.00 64.44 O ATOM 1166 CB MET A 659 6.004 1.114 8.210 1.00 44.41 C ATOM 1167 CG MET A 659 4.830 0.475 8.910 1.00 71.30 C ATOM 1168 SD MET A 659 5.100 0.256 10.670 1.00 31.43 S ATOM 1169 CE MET A 659 3.461 -0.253 11.157 1.00 14.12 C ATOM 0 H MET A 659 5.881 -0.764 6.538 1.00 12.13 H new ATOM 0 HA MET A 659 4.821 1.825 6.599 1.00 34.44 H new ATOM 0 HB2 MET A 659 6.884 0.485 8.348 1.00 44.41 H new ATOM 0 HB3 MET A 659 6.220 2.072 8.683 1.00 44.41 H new ATOM 0 HG2 MET A 659 3.944 1.091 8.758 1.00 71.30 H new ATOM 0 HG3 MET A 659 4.626 -0.495 8.456 1.00 71.30 H new ATOM 0 HE1 MET A 659 3.290 0.019 12.199 1.00 14.12 H new ATOM 0 HE2 MET A 659 2.723 0.243 10.526 1.00 14.12 H new ATOM 0 HE3 MET A 659 3.367 -1.333 11.044 1.00 14.12 H new ATOM 1179 N GLU A 660 8.002 1.667 5.852 1.00 70.04 N ATOM 1180 CA GLU A 660 9.098 2.440 5.290 1.00 14.32 C ATOM 1181 C GLU A 660 8.668 3.047 3.972 1.00 22.43 C ATOM 1182 O GLU A 660 8.936 4.214 3.688 1.00 44.01 O ATOM 1183 CB GLU A 660 10.325 1.564 5.091 1.00 4.45 C ATOM 1184 CG GLU A 660 10.831 0.932 6.367 1.00 3.11 C ATOM 1185 CD GLU A 660 12.053 0.100 6.139 1.00 51.25 C ATOM 1186 OE1 GLU A 660 11.930 -1.046 5.715 1.00 0.22 O ATOM 1187 OE2 GLU A 660 13.174 0.593 6.389 1.00 44.53 O ATOM 0 H GLU A 660 8.195 0.671 5.956 1.00 70.04 H new ATOM 0 HA GLU A 660 9.359 3.238 5.985 1.00 14.32 H new ATOM 0 HB2 GLU A 660 10.087 0.777 4.375 1.00 4.45 H new ATOM 0 HB3 GLU A 660 11.122 2.164 4.652 1.00 4.45 H new ATOM 0 HG2 GLU A 660 11.056 1.713 7.093 1.00 3.11 H new ATOM 0 HG3 GLU A 660 10.046 0.311 6.799 1.00 3.11 H new ATOM 1194 N THR A 661 7.962 2.258 3.195 1.00 71.32 N ATOM 1195 CA THR A 661 7.464 2.691 1.923 1.00 25.11 C ATOM 1196 C THR A 661 6.327 3.709 2.109 1.00 71.35 C ATOM 1197 O THR A 661 6.233 4.698 1.385 1.00 31.14 O ATOM 1198 CB THR A 661 6.957 1.482 1.129 1.00 64.20 C ATOM 1199 OG1 THR A 661 8.032 0.538 0.966 1.00 5.12 O ATOM 1200 CG2 THR A 661 6.439 1.908 -0.225 1.00 42.54 C ATOM 0 H THR A 661 7.720 1.296 3.434 1.00 71.32 H new ATOM 0 HA THR A 661 8.274 3.171 1.374 1.00 25.11 H new ATOM 0 HB THR A 661 6.137 1.019 1.677 1.00 64.20 H new ATOM 0 HG1 THR A 661 8.140 0.020 1.791 1.00 5.12 H new ATOM 0 HG21 THR A 661 6.085 1.033 -0.771 1.00 42.54 H new ATOM 0 HG22 THR A 661 5.617 2.612 -0.095 1.00 42.54 H new ATOM 0 HG23 THR A 661 7.241 2.386 -0.787 1.00 42.54 H new ATOM 1208 N LEU A 662 5.496 3.460 3.090 1.00 3.42 N ATOM 1209 CA LEU A 662 4.362 4.295 3.412 1.00 61.01 C ATOM 1210 C LEU A 662 4.784 5.700 3.751 1.00 2.52 C ATOM 1211 O LEU A 662 4.360 6.641 3.080 1.00 10.01 O ATOM 1212 CB LEU A 662 3.550 3.644 4.555 1.00 34.24 C ATOM 1213 CG LEU A 662 2.392 4.436 5.176 1.00 20.04 C ATOM 1214 CD1 LEU A 662 1.391 4.867 4.128 1.00 3.23 C ATOM 1215 CD2 LEU A 662 1.702 3.584 6.226 1.00 23.41 C ATOM 0 H LEU A 662 5.590 2.651 3.703 1.00 3.42 H new ATOM 0 HA LEU A 662 3.722 4.373 2.533 1.00 61.01 H new ATOM 0 HB2 LEU A 662 3.145 2.704 4.180 1.00 34.24 H new ATOM 0 HB3 LEU A 662 4.247 3.394 5.355 1.00 34.24 H new ATOM 0 HG LEU A 662 2.802 5.335 5.637 1.00 20.04 H new ATOM 0 HD11 LEU A 662 0.584 5.425 4.603 1.00 3.23 H new ATOM 0 HD12 LEU A 662 1.885 5.500 3.391 1.00 3.23 H new ATOM 0 HD13 LEU A 662 0.980 3.987 3.633 1.00 3.23 H new ATOM 0 HD21 LEU A 662 0.879 4.146 6.668 1.00 23.41 H new ATOM 0 HD22 LEU A 662 1.314 2.677 5.761 1.00 23.41 H new ATOM 0 HD23 LEU A 662 2.417 3.316 7.004 1.00 23.41 H new ATOM 1227 N ARG A 663 5.664 5.849 4.729 1.00 25.34 N ATOM 1228 CA ARG A 663 6.092 7.189 5.144 1.00 4.32 C ATOM 1229 C ARG A 663 6.810 7.906 3.993 1.00 52.13 C ATOM 1230 O ARG A 663 6.656 9.122 3.797 1.00 34.02 O ATOM 1231 CB ARG A 663 6.992 7.123 6.362 1.00 60.53 C ATOM 1232 CG ARG A 663 6.383 6.397 7.546 1.00 23.11 C ATOM 1233 CD ARG A 663 7.280 6.505 8.755 1.00 1.42 C ATOM 1234 NE ARG A 663 7.363 7.889 9.237 1.00 1.32 N ATOM 1235 CZ ARG A 663 8.473 8.484 9.695 1.00 12.41 C ATOM 1236 NH1 ARG A 663 9.637 7.836 9.681 1.00 72.22 N ATOM 1237 NH2 ARG A 663 8.419 9.735 10.146 1.00 22.44 N ATOM 0 H ARG A 663 6.092 5.080 5.245 1.00 25.34 H new ATOM 0 HA ARG A 663 5.200 7.757 5.410 1.00 4.32 H new ATOM 0 HB2 ARG A 663 7.923 6.627 6.086 1.00 60.53 H new ATOM 0 HB3 ARG A 663 7.249 8.138 6.665 1.00 60.53 H new ATOM 0 HG2 ARG A 663 5.404 6.819 7.774 1.00 23.11 H new ATOM 0 HG3 ARG A 663 6.227 5.348 7.295 1.00 23.11 H new ATOM 0 HD2 ARG A 663 6.901 5.863 9.550 1.00 1.42 H new ATOM 0 HD3 ARG A 663 8.278 6.145 8.503 1.00 1.42 H new ATOM 0 HE ARG A 663 6.506 8.443 9.222 1.00 1.32 H new ATOM 0 HH11 ARG A 663 9.686 6.883 9.321 1.00 72.22 H new ATOM 0 HH12 ARG A 663 10.479 8.293 10.031 1.00 72.22 H new ATOM 0 HH21 ARG A 663 7.533 10.240 10.143 1.00 22.44 H new ATOM 0 HH22 ARG A 663 9.264 10.188 10.495 1.00 22.44 H new ATOM 1251 N ARG A 664 7.562 7.127 3.230 1.00 34.05 N ATOM 1252 CA ARG A 664 8.288 7.595 2.054 1.00 21.14 C ATOM 1253 C ARG A 664 7.333 8.140 1.030 1.00 23.33 C ATOM 1254 O ARG A 664 7.503 9.228 0.555 1.00 32.24 O ATOM 1255 CB ARG A 664 9.047 6.430 1.449 1.00 33.34 C ATOM 1256 CG ARG A 664 9.888 6.758 0.232 1.00 35.22 C ATOM 1257 CD ARG A 664 10.469 5.486 -0.345 1.00 50.35 C ATOM 1258 NE ARG A 664 11.206 4.722 0.667 1.00 14.00 N ATOM 1259 CZ ARG A 664 11.432 3.410 0.620 1.00 42.44 C ATOM 1260 NH1 ARG A 664 11.024 2.694 -0.428 1.00 61.32 N ATOM 1261 NH2 ARG A 664 12.057 2.817 1.623 1.00 72.12 N ATOM 0 H ARG A 664 7.689 6.132 3.413 1.00 34.05 H new ATOM 0 HA ARG A 664 8.976 8.385 2.353 1.00 21.14 H new ATOM 0 HB2 ARG A 664 9.697 6.006 2.214 1.00 33.34 H new ATOM 0 HB3 ARG A 664 8.330 5.656 1.175 1.00 33.34 H new ATOM 0 HG2 ARG A 664 9.279 7.263 -0.517 1.00 35.22 H new ATOM 0 HG3 ARG A 664 10.690 7.444 0.506 1.00 35.22 H new ATOM 0 HD2 ARG A 664 9.667 4.871 -0.753 1.00 50.35 H new ATOM 0 HD3 ARG A 664 11.135 5.732 -1.172 1.00 50.35 H new ATOM 0 HE ARG A 664 11.574 5.235 1.468 1.00 14.00 H new ATOM 0 HH11 ARG A 664 10.536 3.151 -1.199 1.00 61.32 H new ATOM 0 HH12 ARG A 664 11.200 1.690 -0.459 1.00 61.32 H new ATOM 0 HH21 ARG A 664 12.364 3.364 2.428 1.00 72.12 H new ATOM 0 HH22 ARG A 664 12.233 1.813 1.592 1.00 72.12 H new ATOM 1275 N SER A 665 6.321 7.384 0.722 1.00 45.34 N ATOM 1276 CA SER A 665 5.361 7.763 -0.283 1.00 1.21 C ATOM 1277 C SER A 665 4.608 9.016 0.139 1.00 60.21 C ATOM 1278 O SER A 665 4.283 9.849 -0.687 1.00 3.54 O ATOM 1279 CB SER A 665 4.404 6.608 -0.558 1.00 50.31 C ATOM 1280 OG SER A 665 5.124 5.453 -0.951 1.00 1.15 O ATOM 0 H SER A 665 6.134 6.482 1.160 1.00 45.34 H new ATOM 0 HA SER A 665 5.891 7.992 -1.207 1.00 1.21 H new ATOM 0 HB2 SER A 665 3.818 6.392 0.335 1.00 50.31 H new ATOM 0 HB3 SER A 665 3.700 6.889 -1.341 1.00 50.31 H new ATOM 0 HG SER A 665 5.356 4.927 -0.158 1.00 1.15 H new ATOM 1286 N MET A 666 4.367 9.153 1.428 1.00 0.52 N ATOM 1287 CA MET A 666 3.681 10.326 1.964 1.00 42.14 C ATOM 1288 C MET A 666 4.549 11.559 1.779 1.00 40.43 C ATOM 1289 O MET A 666 4.069 12.620 1.402 1.00 14.24 O ATOM 1290 CB MET A 666 3.411 10.143 3.451 1.00 22.45 C ATOM 1291 CG MET A 666 2.579 8.931 3.797 1.00 35.53 C ATOM 1292 SD MET A 666 2.407 8.704 5.559 1.00 54.54 S ATOM 1293 CE MET A 666 1.551 10.203 5.992 1.00 24.00 C ATOM 0 H MET A 666 4.635 8.466 2.132 1.00 0.52 H new ATOM 0 HA MET A 666 2.738 10.448 1.431 1.00 42.14 H new ATOM 0 HB2 MET A 666 4.365 10.073 3.974 1.00 22.45 H new ATOM 0 HB3 MET A 666 2.906 11.033 3.827 1.00 22.45 H new ATOM 0 HG2 MET A 666 1.591 9.032 3.348 1.00 35.53 H new ATOM 0 HG3 MET A 666 3.037 8.043 3.362 1.00 35.53 H new ATOM 0 HE1 MET A 666 1.088 10.087 6.972 1.00 24.00 H new ATOM 0 HE2 MET A 666 2.259 11.031 6.021 1.00 24.00 H new ATOM 0 HE3 MET A 666 0.781 10.410 5.249 1.00 24.00 H new ATOM 1303 N SER A 667 5.825 11.392 2.020 1.00 55.24 N ATOM 1304 CA SER A 667 6.769 12.466 1.926 1.00 3.30 C ATOM 1305 C SER A 667 7.141 12.742 0.461 1.00 20.11 C ATOM 1306 O SER A 667 6.964 13.858 -0.036 1.00 5.04 O ATOM 1307 CB SER A 667 8.017 12.113 2.758 1.00 35.20 C ATOM 1308 OG SER A 667 8.983 13.162 2.761 1.00 34.25 O ATOM 0 H SER A 667 6.237 10.498 2.289 1.00 55.24 H new ATOM 0 HA SER A 667 6.321 13.377 2.323 1.00 3.30 H new ATOM 0 HB2 SER A 667 7.717 11.896 3.783 1.00 35.20 H new ATOM 0 HB3 SER A 667 8.471 11.206 2.360 1.00 35.20 H new ATOM 0 HG SER A 667 9.755 12.894 3.302 1.00 34.25 H new ATOM 1314 N THR A 668 7.609 11.716 -0.223 1.00 21.42 N ATOM 1315 CA THR A 668 8.092 11.834 -1.572 1.00 11.44 C ATOM 1316 C THR A 668 6.959 12.106 -2.568 1.00 53.54 C ATOM 1317 O THR A 668 6.995 13.089 -3.313 1.00 54.31 O ATOM 1318 CB THR A 668 8.854 10.560 -1.970 1.00 32.34 C ATOM 1319 OG1 THR A 668 9.915 10.322 -1.016 1.00 3.34 O ATOM 1320 CG2 THR A 668 9.447 10.676 -3.367 1.00 41.12 C ATOM 0 H THR A 668 7.662 10.769 0.153 1.00 21.42 H new ATOM 0 HA THR A 668 8.767 12.689 -1.606 1.00 11.44 H new ATOM 0 HB THR A 668 8.150 9.728 -1.971 1.00 32.34 H new ATOM 0 HG1 THR A 668 9.543 9.908 -0.209 1.00 3.34 H new ATOM 0 HG21 THR A 668 9.978 9.757 -3.614 1.00 41.12 H new ATOM 0 HG22 THR A 668 8.647 10.838 -4.089 1.00 41.12 H new ATOM 0 HG23 THR A 668 10.141 11.516 -3.399 1.00 41.12 H new ATOM 1328 N GLU A 669 5.957 11.264 -2.562 1.00 74.25 N ATOM 1329 CA GLU A 669 4.873 11.402 -3.533 1.00 42.30 C ATOM 1330 C GLU A 669 3.777 12.333 -3.066 1.00 13.33 C ATOM 1331 O GLU A 669 3.215 13.078 -3.866 1.00 42.35 O ATOM 1332 CB GLU A 669 4.306 10.048 -3.941 1.00 55.41 C ATOM 1333 CG GLU A 669 5.303 9.182 -4.680 1.00 72.42 C ATOM 1334 CD GLU A 669 5.818 9.861 -5.928 1.00 1.43 C ATOM 1335 OE1 GLU A 669 5.180 9.725 -6.999 1.00 45.12 O ATOM 1336 OE2 GLU A 669 6.862 10.544 -5.854 1.00 32.23 O ATOM 0 H GLU A 669 5.858 10.484 -1.912 1.00 74.25 H new ATOM 0 HA GLU A 669 5.318 11.862 -4.416 1.00 42.30 H new ATOM 0 HB2 GLU A 669 3.966 9.520 -3.050 1.00 55.41 H new ATOM 0 HB3 GLU A 669 3.431 10.203 -4.572 1.00 55.41 H new ATOM 0 HG2 GLU A 669 6.140 8.948 -4.022 1.00 72.42 H new ATOM 0 HG3 GLU A 669 4.834 8.235 -4.948 1.00 72.42 H new ATOM 1343 N GLY A 670 3.491 12.307 -1.783 1.00 45.12 N ATOM 1344 CA GLY A 670 2.438 13.141 -1.229 1.00 25.32 C ATOM 1345 C GLY A 670 2.672 14.617 -1.476 1.00 74.14 C ATOM 1346 O GLY A 670 1.812 15.305 -2.024 1.00 70.10 O ATOM 0 H GLY A 670 3.970 11.719 -1.101 1.00 45.12 H new ATOM 0 HA2 GLY A 670 1.482 12.851 -1.665 1.00 25.32 H new ATOM 0 HA3 GLY A 670 2.366 12.963 -0.156 1.00 25.32 H new ATOM 1350 N ASN A 671 3.847 15.094 -1.119 1.00 64.52 N ATOM 1351 CA ASN A 671 4.184 16.512 -1.287 1.00 14.41 C ATOM 1352 C ASN A 671 4.470 16.832 -2.769 1.00 53.34 C ATOM 1353 O ASN A 671 4.537 17.983 -3.172 1.00 42.24 O ATOM 1354 CB ASN A 671 5.396 16.883 -0.410 1.00 5.24 C ATOM 1355 CG ASN A 671 5.738 18.375 -0.430 1.00 31.02 C ATOM 1356 OD1 ASN A 671 4.861 19.234 -0.575 1.00 4.35 O ATOM 1357 ND2 ASN A 671 7.004 18.691 -0.296 1.00 31.41 N ATOM 0 H ASN A 671 4.591 14.529 -0.710 1.00 64.52 H new ATOM 0 HA ASN A 671 3.330 17.109 -0.968 1.00 14.41 H new ATOM 0 HB2 ASN A 671 5.196 16.579 0.618 1.00 5.24 H new ATOM 0 HB3 ASN A 671 6.264 16.316 -0.747 1.00 5.24 H new ATOM 0 HD21 ASN A 671 7.289 19.670 -0.310 1.00 31.41 H new ATOM 0 HD22 ASN A 671 7.703 17.958 -0.178 1.00 31.41 H new ATOM 1364 N LYS A 672 4.634 15.795 -3.575 1.00 21.23 N ATOM 1365 CA LYS A 672 4.889 15.981 -4.992 1.00 13.40 C ATOM 1366 C LYS A 672 3.579 16.175 -5.756 1.00 14.23 C ATOM 1367 O LYS A 672 3.482 17.007 -6.657 1.00 73.12 O ATOM 1368 CB LYS A 672 5.663 14.785 -5.577 1.00 65.40 C ATOM 1369 CG LYS A 672 5.959 14.938 -7.056 1.00 34.43 C ATOM 1370 CD LYS A 672 6.658 13.725 -7.710 1.00 25.21 C ATOM 1371 CE LYS A 672 8.085 13.442 -7.203 1.00 50.53 C ATOM 1372 NZ LYS A 672 8.139 12.851 -5.848 1.00 61.02 N ATOM 0 H LYS A 672 4.595 14.821 -3.273 1.00 21.23 H new ATOM 0 HA LYS A 672 5.499 16.877 -5.103 1.00 13.40 H new ATOM 0 HB2 LYS A 672 6.601 14.666 -5.035 1.00 65.40 H new ATOM 0 HB3 LYS A 672 5.086 13.874 -5.420 1.00 65.40 H new ATOM 0 HG2 LYS A 672 5.023 15.126 -7.581 1.00 34.43 H new ATOM 0 HG3 LYS A 672 6.585 15.819 -7.197 1.00 34.43 H new ATOM 0 HD2 LYS A 672 6.047 12.839 -7.541 1.00 25.21 H new ATOM 0 HD3 LYS A 672 6.697 13.885 -8.787 1.00 25.21 H new ATOM 0 HE2 LYS A 672 8.580 12.768 -7.902 1.00 50.53 H new ATOM 0 HE3 LYS A 672 8.651 14.374 -7.204 1.00 50.53 H new ATOM 0 HZ1 LYS A 672 8.989 12.258 -5.762 1.00 61.02 H new ATOM 0 HZ2 LYS A 672 8.174 13.611 -5.139 1.00 61.02 H new ATOM 0 HZ3 LYS A 672 7.292 12.268 -5.689 1.00 61.02 H new ATOM 1386 N ARG A 673 2.576 15.406 -5.388 1.00 75.14 N ATOM 1387 CA ARG A 673 1.298 15.445 -6.081 1.00 55.21 C ATOM 1388 C ARG A 673 0.375 16.469 -5.436 1.00 73.34 C ATOM 1389 O ARG A 673 -0.561 16.966 -6.062 1.00 71.23 O ATOM 1390 CB ARG A 673 0.656 14.048 -6.063 1.00 22.34 C ATOM 1391 CG ARG A 673 1.579 12.974 -6.619 1.00 42.14 C ATOM 1392 CD ARG A 673 0.979 11.577 -6.547 1.00 14.34 C ATOM 1393 NE ARG A 673 1.984 10.575 -6.923 1.00 63.44 N ATOM 1394 CZ ARG A 673 1.776 9.270 -7.110 1.00 20.44 C ATOM 1395 NH1 ARG A 673 0.552 8.759 -7.067 1.00 33.22 N ATOM 1396 NH2 ARG A 673 2.809 8.478 -7.354 1.00 71.15 N ATOM 0 H ARG A 673 2.617 14.745 -4.613 1.00 75.14 H new ATOM 0 HA ARG A 673 1.463 15.743 -7.116 1.00 55.21 H new ATOM 0 HB2 ARG A 673 0.381 13.792 -5.040 1.00 22.34 H new ATOM 0 HB3 ARG A 673 -0.265 14.068 -6.645 1.00 22.34 H new ATOM 0 HG2 ARG A 673 1.816 13.208 -7.657 1.00 42.14 H new ATOM 0 HG3 ARG A 673 2.518 12.989 -6.066 1.00 42.14 H new ATOM 0 HD2 ARG A 673 0.618 11.380 -5.538 1.00 14.34 H new ATOM 0 HD3 ARG A 673 0.119 11.508 -7.213 1.00 14.34 H new ATOM 0 HE ARG A 673 2.938 10.910 -7.055 1.00 63.44 H new ATOM 0 HH11 ARG A 673 -0.248 9.366 -6.889 1.00 33.22 H new ATOM 0 HH12 ARG A 673 0.411 7.759 -7.212 1.00 33.22 H new ATOM 0 HH21 ARG A 673 3.751 8.867 -7.397 1.00 71.15 H new ATOM 0 HH22 ARG A 673 2.663 7.479 -7.499 1.00 71.15 H new ATOM 1410 N GLY A 674 0.645 16.777 -4.183 1.00 62.34 N ATOM 1411 CA GLY A 674 -0.164 17.729 -3.441 1.00 42.41 C ATOM 1412 C GLY A 674 -1.173 17.014 -2.573 1.00 41.41 C ATOM 1413 O GLY A 674 -1.555 17.494 -1.494 1.00 22.01 O ATOM 0 H GLY A 674 1.422 16.381 -3.654 1.00 62.34 H new ATOM 0 HA2 GLY A 674 0.479 18.353 -2.820 1.00 42.41 H new ATOM 0 HA3 GLY A 674 -0.680 18.393 -4.135 1.00 42.41 H new ATOM 1417 N MET A 675 -1.578 15.867 -3.028 1.00 73.43 N ATOM 1418 CA MET A 675 -2.526 15.038 -2.346 1.00 62.41 C ATOM 1419 C MET A 675 -2.039 13.612 -2.374 1.00 1.43 C ATOM 1420 O MET A 675 -1.316 13.212 -3.287 1.00 30.23 O ATOM 1421 CB MET A 675 -3.936 15.182 -2.970 1.00 71.41 C ATOM 1422 CG MET A 675 -3.987 14.878 -4.470 1.00 71.05 C ATOM 1423 SD MET A 675 -5.571 15.292 -5.242 1.00 23.32 S ATOM 1424 CE MET A 675 -6.693 14.216 -4.372 1.00 4.11 C ATOM 0 H MET A 675 -1.249 15.471 -3.908 1.00 73.43 H new ATOM 0 HA MET A 675 -2.612 15.356 -1.307 1.00 62.41 H new ATOM 0 HB2 MET A 675 -4.622 14.513 -2.451 1.00 71.41 H new ATOM 0 HB3 MET A 675 -4.294 16.198 -2.803 1.00 71.41 H new ATOM 0 HG2 MET A 675 -3.193 15.431 -4.971 1.00 71.05 H new ATOM 0 HG3 MET A 675 -3.783 13.818 -4.624 1.00 71.05 H new ATOM 0 HE1 MET A 675 -7.696 14.327 -4.783 1.00 4.11 H new ATOM 0 HE2 MET A 675 -6.367 13.182 -4.485 1.00 4.11 H new ATOM 0 HE3 MET A 675 -6.703 14.479 -3.314 1.00 4.11 H new ATOM 1434 N ILE A 676 -2.406 12.881 -1.376 1.00 11.25 N ATOM 1435 CA ILE A 676 -2.007 11.524 -1.212 1.00 11.41 C ATOM 1436 C ILE A 676 -3.195 10.599 -1.399 1.00 74.22 C ATOM 1437 O ILE A 676 -4.307 10.909 -0.995 1.00 24.02 O ATOM 1438 CB ILE A 676 -1.333 11.287 0.191 1.00 34.14 C ATOM 1439 CG1 ILE A 676 -1.078 9.795 0.416 1.00 13.23 C ATOM 1440 CG2 ILE A 676 -2.183 11.863 1.302 1.00 71.25 C ATOM 1441 CD1 ILE A 676 -0.323 9.445 1.651 1.00 61.44 C ATOM 0 H ILE A 676 -3.011 13.222 -0.629 1.00 11.25 H new ATOM 0 HA ILE A 676 -1.263 11.298 -1.976 1.00 11.41 H new ATOM 0 HB ILE A 676 -0.374 11.804 0.202 1.00 34.14 H new ATOM 0 HG12 ILE A 676 -2.039 9.282 0.443 1.00 13.23 H new ATOM 0 HG13 ILE A 676 -0.532 9.405 -0.443 1.00 13.23 H new ATOM 0 HG21 ILE A 676 -1.696 11.687 2.261 1.00 71.25 H new ATOM 0 HG22 ILE A 676 -2.305 12.935 1.148 1.00 71.25 H new ATOM 0 HG23 ILE A 676 -3.161 11.383 1.298 1.00 71.25 H new ATOM 0 HD11 ILE A 676 -0.200 8.363 1.708 1.00 61.44 H new ATOM 0 HD12 ILE A 676 0.657 9.920 1.625 1.00 61.44 H new ATOM 0 HD13 ILE A 676 -0.873 9.795 2.525 1.00 61.44 H new ATOM 1453 N GLN A 677 -2.956 9.504 -2.029 1.00 73.32 N ATOM 1454 CA GLN A 677 -3.965 8.531 -2.286 1.00 72.50 C ATOM 1455 C GLN A 677 -3.761 7.322 -1.392 1.00 43.23 C ATOM 1456 O GLN A 677 -2.643 6.853 -1.232 1.00 3.11 O ATOM 1457 CB GLN A 677 -3.911 8.119 -3.745 1.00 51.22 C ATOM 1458 CG GLN A 677 -4.908 7.064 -4.105 1.00 45.11 C ATOM 1459 CD GLN A 677 -4.978 6.802 -5.582 1.00 43.32 C ATOM 1460 OE1 GLN A 677 -4.004 6.987 -6.311 1.00 60.20 O ATOM 1461 NE2 GLN A 677 -6.116 6.347 -6.029 1.00 64.45 N ATOM 0 H GLN A 677 -2.036 9.251 -2.389 1.00 73.32 H new ATOM 0 HA GLN A 677 -4.944 8.961 -2.072 1.00 72.50 H new ATOM 0 HB2 GLN A 677 -4.082 8.997 -4.369 1.00 51.22 H new ATOM 0 HB3 GLN A 677 -2.910 7.755 -3.974 1.00 51.22 H new ATOM 0 HG2 GLN A 677 -4.652 6.139 -3.589 1.00 45.11 H new ATOM 0 HG3 GLN A 677 -5.893 7.366 -3.748 1.00 45.11 H new ATOM 0 HE21 GLN A 677 -6.897 6.209 -5.388 1.00 64.45 H new ATOM 0 HE22 GLN A 677 -6.224 6.129 -7.020 1.00 64.45 H new ATOM 1470 N LEU A 678 -4.820 6.831 -0.812 1.00 43.33 N ATOM 1471 CA LEU A 678 -4.742 5.672 0.047 1.00 30.51 C ATOM 1472 C LEU A 678 -5.751 4.680 -0.429 1.00 4.22 C ATOM 1473 O LEU A 678 -6.921 5.011 -0.547 1.00 1.01 O ATOM 1474 CB LEU A 678 -5.067 6.003 1.535 1.00 3.43 C ATOM 1475 CG LEU A 678 -4.241 7.077 2.263 1.00 43.11 C ATOM 1476 CD1 LEU A 678 -2.777 6.768 2.190 1.00 24.44 C ATOM 1477 CD2 LEU A 678 -4.549 8.483 1.762 1.00 55.41 C ATOM 0 H LEU A 678 -5.758 7.216 -0.917 1.00 43.33 H new ATOM 0 HA LEU A 678 -3.722 5.291 0.002 1.00 30.51 H new ATOM 0 HB2 LEU A 678 -6.113 6.305 1.583 1.00 3.43 H new ATOM 0 HB3 LEU A 678 -4.976 5.078 2.104 1.00 3.43 H new ATOM 0 HG LEU A 678 -4.535 7.055 3.312 1.00 43.11 H new ATOM 0 HD11 LEU A 678 -2.215 7.542 2.712 1.00 24.44 H new ATOM 0 HD12 LEU A 678 -2.585 5.802 2.658 1.00 24.44 H new ATOM 0 HD13 LEU A 678 -2.464 6.734 1.146 1.00 24.44 H new ATOM 0 HD21 LEU A 678 -3.941 9.205 2.307 1.00 55.41 H new ATOM 0 HD22 LEU A 678 -4.323 8.548 0.698 1.00 55.41 H new ATOM 0 HD23 LEU A 678 -5.604 8.703 1.922 1.00 55.41 H new ATOM 1489 N ILE A 679 -5.330 3.499 -0.736 1.00 21.12 N ATOM 1490 CA ILE A 679 -6.253 2.480 -1.141 1.00 12.04 C ATOM 1491 C ILE A 679 -6.336 1.475 -0.014 1.00 73.31 C ATOM 1492 O ILE A 679 -5.325 0.877 0.361 1.00 12.42 O ATOM 1493 CB ILE A 679 -5.867 1.723 -2.480 1.00 62.21 C ATOM 1494 CG1 ILE A 679 -5.653 2.661 -3.698 1.00 73.21 C ATOM 1495 CG2 ILE A 679 -6.923 0.691 -2.825 1.00 10.52 C ATOM 1496 CD1 ILE A 679 -4.400 3.503 -3.655 1.00 33.11 C ATOM 0 H ILE A 679 -4.352 3.210 -0.716 1.00 21.12 H new ATOM 0 HA ILE A 679 -7.203 2.972 -1.350 1.00 12.04 H new ATOM 0 HB ILE A 679 -4.909 1.244 -2.279 1.00 62.21 H new ATOM 0 HG12 ILE A 679 -5.632 2.054 -4.603 1.00 73.21 H new ATOM 0 HG13 ILE A 679 -6.514 3.325 -3.780 1.00 73.21 H new ATOM 0 HG21 ILE A 679 -6.645 0.179 -3.746 1.00 10.52 H new ATOM 0 HG22 ILE A 679 -7.000 -0.035 -2.016 1.00 10.52 H new ATOM 0 HG23 ILE A 679 -7.885 1.186 -2.961 1.00 10.52 H new ATOM 0 HD11 ILE A 679 -4.346 4.121 -4.551 1.00 33.11 H new ATOM 0 HD12 ILE A 679 -4.422 4.143 -2.773 1.00 33.11 H new ATOM 0 HD13 ILE A 679 -3.526 2.853 -3.610 1.00 33.11 H new ATOM 1508 N VAL A 680 -7.502 1.304 0.523 1.00 25.44 N ATOM 1509 CA VAL A 680 -7.734 0.393 1.617 1.00 25.34 C ATOM 1510 C VAL A 680 -8.791 -0.611 1.212 1.00 41.34 C ATOM 1511 O VAL A 680 -9.369 -0.489 0.132 1.00 62.22 O ATOM 1512 CB VAL A 680 -8.148 1.128 2.935 1.00 73.40 C ATOM 1513 CG1 VAL A 680 -7.019 2.000 3.449 1.00 63.13 C ATOM 1514 CG2 VAL A 680 -9.410 1.966 2.742 1.00 32.45 C ATOM 0 H VAL A 680 -8.339 1.798 0.214 1.00 25.44 H new ATOM 0 HA VAL A 680 -6.796 -0.119 1.832 1.00 25.34 H new ATOM 0 HB VAL A 680 -8.363 0.358 3.676 1.00 73.40 H new ATOM 0 HG11 VAL A 680 -7.333 2.499 4.366 1.00 63.13 H new ATOM 0 HG12 VAL A 680 -6.146 1.381 3.654 1.00 63.13 H new ATOM 0 HG13 VAL A 680 -6.765 2.748 2.697 1.00 63.13 H new ATOM 0 HG21 VAL A 680 -9.665 2.461 3.679 1.00 32.45 H new ATOM 0 HG22 VAL A 680 -9.234 2.717 1.972 1.00 32.45 H new ATOM 0 HG23 VAL A 680 -10.233 1.320 2.437 1.00 32.45 H new ATOM 1524 N ALA A 681 -9.030 -1.590 2.027 1.00 3.13 N ATOM 1525 CA ALA A 681 -9.952 -2.631 1.684 1.00 13.53 C ATOM 1526 C ALA A 681 -10.818 -2.992 2.831 1.00 23.20 C ATOM 1527 O ALA A 681 -10.327 -3.368 3.906 1.00 73.04 O ATOM 1528 CB ALA A 681 -9.214 -3.871 1.229 1.00 45.24 C ATOM 0 H ALA A 681 -8.595 -1.692 2.944 1.00 3.13 H new ATOM 0 HA ALA A 681 -10.574 -2.249 0.874 1.00 13.53 H new ATOM 0 HB1 ALA A 681 -9.933 -4.649 0.973 1.00 45.24 H new ATOM 0 HB2 ALA A 681 -8.609 -3.634 0.354 1.00 45.24 H new ATOM 0 HB3 ALA A 681 -8.567 -4.224 2.032 1.00 45.24 H new ATOM 1534 N ARG A 682 -12.091 -2.950 2.601 1.00 61.22 N ATOM 1535 CA ARG A 682 -13.022 -3.369 3.584 1.00 51.05 C ATOM 1536 C ARG A 682 -13.631 -4.646 3.118 1.00 13.52 C ATOM 1537 O ARG A 682 -13.811 -4.862 1.899 1.00 24.22 O ATOM 1538 CB ARG A 682 -14.164 -2.365 3.809 1.00 64.43 C ATOM 1539 CG ARG A 682 -14.974 -2.068 2.556 1.00 32.50 C ATOM 1540 CD ARG A 682 -16.365 -1.567 2.888 1.00 43.14 C ATOM 1541 NE ARG A 682 -17.090 -1.138 1.678 1.00 20.34 N ATOM 1542 CZ ARG A 682 -18.267 -0.475 1.643 1.00 11.14 C ATOM 1543 NH1 ARG A 682 -18.894 -0.144 2.760 1.00 64.03 N ATOM 1544 NH2 ARG A 682 -18.806 -0.165 0.473 1.00 44.23 N ATOM 0 H ARG A 682 -12.508 -2.625 1.729 1.00 61.22 H new ATOM 0 HA ARG A 682 -12.481 -3.469 4.525 1.00 51.05 H new ATOM 0 HB2 ARG A 682 -14.831 -2.754 4.578 1.00 64.43 H new ATOM 0 HB3 ARG A 682 -13.747 -1.433 4.190 1.00 64.43 H new ATOM 0 HG2 ARG A 682 -14.453 -1.322 1.955 1.00 32.50 H new ATOM 0 HG3 ARG A 682 -15.048 -2.971 1.949 1.00 32.50 H new ATOM 0 HD2 ARG A 682 -16.927 -2.356 3.389 1.00 43.14 H new ATOM 0 HD3 ARG A 682 -16.295 -0.733 3.586 1.00 43.14 H new ATOM 0 HE ARG A 682 -16.662 -1.364 0.780 1.00 20.34 H new ATOM 0 HH11 ARG A 682 -18.490 -0.389 3.664 1.00 64.03 H new ATOM 0 HH12 ARG A 682 -19.782 0.356 2.717 1.00 64.03 H new ATOM 0 HH21 ARG A 682 -18.333 -0.427 -0.392 1.00 44.23 H new ATOM 0 HH22 ARG A 682 -19.694 0.335 0.437 1.00 44.23 H new ATOM 1839 N GLU B 780 3.566 -3.773 15.669 1.00 75.12 N ATOM 1840 CA GLU B 780 4.093 -2.863 14.657 1.00 52.43 C ATOM 1841 C GLU B 780 3.134 -1.726 14.427 1.00 4.53 C ATOM 1842 O GLU B 780 2.192 -1.875 13.701 1.00 62.43 O ATOM 1843 CB GLU B 780 4.339 -3.606 13.353 1.00 43.04 C ATOM 1844 CG GLU B 780 5.253 -4.776 13.525 1.00 12.03 C ATOM 1845 CD GLU B 780 5.507 -5.531 12.242 1.00 11.42 C ATOM 1846 OE1 GLU B 780 4.670 -6.387 11.862 1.00 43.02 O ATOM 1847 OE2 GLU B 780 6.550 -5.310 11.619 1.00 73.42 O ATOM 0 HA GLU B 780 5.040 -2.459 15.016 1.00 52.43 H new ATOM 0 HB2 GLU B 780 3.387 -3.949 12.949 1.00 43.04 H new ATOM 0 HB3 GLU B 780 4.766 -2.919 12.622 1.00 43.04 H new ATOM 0 HG2 GLU B 780 6.204 -4.429 13.928 1.00 12.03 H new ATOM 0 HG3 GLU B 780 4.825 -5.457 14.260 1.00 12.03 H new ATOM 1854 N GLU B 781 3.380 -0.613 15.062 1.00 13.40 N ATOM 1855 CA GLU B 781 2.480 0.552 14.987 1.00 73.21 C ATOM 1856 C GLU B 781 3.138 1.763 14.376 1.00 51.40 C ATOM 1857 O GLU B 781 4.303 2.062 14.642 1.00 43.04 O ATOM 1858 CB GLU B 781 1.905 0.895 16.365 1.00 63.50 C ATOM 1859 CG GLU B 781 0.870 -0.096 16.859 1.00 35.14 C ATOM 1860 CD GLU B 781 0.498 0.074 18.304 1.00 74.33 C ATOM 1861 OE1 GLU B 781 1.404 0.173 19.152 1.00 30.01 O ATOM 1862 OE2 GLU B 781 -0.713 0.129 18.616 1.00 5.24 O ATOM 0 H GLU B 781 4.201 -0.468 15.649 1.00 13.40 H new ATOM 0 HA GLU B 781 1.664 0.264 14.325 1.00 73.21 H new ATOM 0 HB2 GLU B 781 2.720 0.945 17.087 1.00 63.50 H new ATOM 0 HB3 GLU B 781 1.455 1.887 16.324 1.00 63.50 H new ATOM 0 HG2 GLU B 781 -0.029 0.000 16.250 1.00 35.14 H new ATOM 0 HG3 GLU B 781 1.250 -1.107 16.709 1.00 35.14 H new ATOM 1869 N LEU B 782 2.392 2.445 13.536 1.00 14.25 N ATOM 1870 CA LEU B 782 2.831 3.635 12.901 1.00 73.44 C ATOM 1871 C LEU B 782 1.694 4.654 12.836 1.00 13.42 C ATOM 1872 O LEU B 782 0.568 4.308 12.521 1.00 1.12 O ATOM 1873 CB LEU B 782 3.269 3.289 11.493 1.00 35.13 C ATOM 1874 CG LEU B 782 3.640 4.446 10.618 1.00 71.33 C ATOM 1875 CD1 LEU B 782 4.817 5.182 11.193 1.00 43.32 C ATOM 1876 CD2 LEU B 782 3.913 3.976 9.229 1.00 73.34 C ATOM 0 H LEU B 782 1.444 2.169 13.280 1.00 14.25 H new ATOM 0 HA LEU B 782 3.656 4.067 13.467 1.00 73.44 H new ATOM 0 HB2 LEU B 782 4.125 2.617 11.555 1.00 35.13 H new ATOM 0 HB3 LEU B 782 2.464 2.736 11.009 1.00 35.13 H new ATOM 0 HG LEU B 782 2.803 5.143 10.576 1.00 71.33 H new ATOM 0 HD11 LEU B 782 5.074 6.020 10.545 1.00 43.32 H new ATOM 0 HD12 LEU B 782 4.563 5.555 12.185 1.00 43.32 H new ATOM 0 HD13 LEU B 782 5.669 4.506 11.266 1.00 43.32 H new ATOM 0 HD21 LEU B 782 4.182 4.827 8.603 1.00 73.34 H new ATOM 0 HD22 LEU B 782 4.736 3.261 9.242 1.00 73.34 H new ATOM 0 HD23 LEU B 782 3.021 3.496 8.826 1.00 73.34 H new ATOM 1888 N ILE B 783 1.977 5.883 13.159 1.00 4.51 N ATOM 1889 CA ILE B 783 0.995 6.938 12.991 1.00 2.45 C ATOM 1890 C ILE B 783 1.366 7.749 11.776 1.00 50.31 C ATOM 1891 O ILE B 783 2.503 8.238 11.666 1.00 42.34 O ATOM 1892 CB ILE B 783 0.838 7.905 14.232 1.00 23.54 C ATOM 1893 CG1 ILE B 783 0.320 7.175 15.498 1.00 40.14 C ATOM 1894 CG2 ILE B 783 -0.100 9.088 13.892 1.00 55.23 C ATOM 1895 CD1 ILE B 783 1.275 6.170 16.121 1.00 73.52 C ATOM 0 H ILE B 783 2.873 6.188 13.539 1.00 4.51 H new ATOM 0 HA ILE B 783 0.030 6.443 12.880 1.00 2.45 H new ATOM 0 HB ILE B 783 1.836 8.282 14.455 1.00 23.54 H new ATOM 0 HG12 ILE B 783 0.070 7.924 16.249 1.00 40.14 H new ATOM 0 HG13 ILE B 783 -0.605 6.658 15.243 1.00 40.14 H new ATOM 0 HG21 ILE B 783 -0.193 9.740 14.761 1.00 55.23 H new ATOM 0 HG22 ILE B 783 0.315 9.653 13.057 1.00 55.23 H new ATOM 0 HG23 ILE B 783 -1.083 8.706 13.618 1.00 55.23 H new ATOM 0 HD11 ILE B 783 0.809 5.721 16.998 1.00 73.52 H new ATOM 0 HD12 ILE B 783 1.508 5.391 15.395 1.00 73.52 H new ATOM 0 HD13 ILE B 783 2.194 6.676 16.417 1.00 73.52 H new ATOM 1907 N ILE B 784 0.445 7.886 10.874 1.00 51.31 N ATOM 1908 CA ILE B 784 0.653 8.641 9.700 1.00 30.02 C ATOM 1909 C ILE B 784 -0.127 9.924 9.790 1.00 72.41 C ATOM 1910 O ILE B 784 0.458 10.923 10.178 1.00 36.63 O ATOM 1911 CB ILE B 784 0.358 7.845 8.386 1.00 3.15 C ATOM 1912 CG1 ILE B 784 -1.031 7.178 8.407 1.00 5.34 C ATOM 1913 CG2 ILE B 784 1.446 6.809 8.142 1.00 62.44 C ATOM 1914 CD1 ILE B 784 -1.367 6.433 7.133 1.00 30.10 C ATOM 1915 OXT ILE B 784 -1.325 9.932 9.513 1.00 36.63 O ATOM 0 H ILE B 784 -0.482 7.467 10.943 1.00 51.31 H new ATOM 0 HA ILE B 784 1.715 8.878 9.636 1.00 30.02 H new ATOM 0 HB ILE B 784 0.356 8.561 7.565 1.00 3.15 H new ATOM 0 HG12 ILE B 784 -1.079 6.484 9.246 1.00 5.34 H new ATOM 0 HG13 ILE B 784 -1.789 7.942 8.581 1.00 5.34 H new ATOM 0 HG21 ILE B 784 1.229 6.262 7.225 1.00 62.44 H new ATOM 0 HG22 ILE B 784 2.410 7.309 8.047 1.00 62.44 H new ATOM 0 HG23 ILE B 784 1.480 6.113 8.980 1.00 62.44 H new ATOM 0 HD11 ILE B 784 -2.359 5.990 7.221 1.00 30.10 H new ATOM 0 HD12 ILE B 784 -1.353 7.126 6.292 1.00 30.10 H new ATOM 0 HD13 ILE B 784 -0.632 5.646 6.967 1.00 30.10 H new