USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=18 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 653 LYS NZ :NH3+ -148:sc= 1.32 (180deg=0) USER MOD Set 1.2: A 661 THR OG1 : rot 73:sc= 1.81 USER MOD Set 2.1: A 604 SER OG : rot 180:sc= -1.04 USER MOD Set 2.2: A 623 SER OG : rot 90:sc= -1.21 USER MOD Set 3.1: A 606 LYS NZ :NH3+ 146:sc= 0.768 (180deg=-0.172) USER MOD Set 3.2: A 608 ASN : amide:sc= 0.702 K(o=1.5,f=-9.2!) USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 594 ASN : amide:sc= -0.342 K(o=-0.34,f=-3.2!) USER MOD Single : A 596 SER OG : rot -80:sc= -0.0941 USER MOD Single : A 598 SER OG : rot -104:sc= 1.34 USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 622 LYS NZ :NH3+ 156:sc= -0.415 (180deg=-0.872) USER MOD Single : A 626 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 631 SER OG : rot -90:sc= -0.101 USER MOD Single : A 632 LYS NZ :NH3+ -169:sc= -0.0304 (180deg=-0.178) USER MOD Single : A 639 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.8!) USER MOD Single : A 641 GLN : amide:sc= 0.699 K(o=0.7,f=-1.4) USER MOD Single : A 646 ASN : amide:sc= -3.94! C(o=-3.9!,f=-5.7!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 655 ASN : amide:sc= -1.97! C(o=-2!,f=-7.4!) USER MOD Single : A 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 659 MET CE :methyl -141:sc= -0.0113 (180deg=-2.55!) USER MOD Single : A 665 SER OG : rot 73:sc= 0.401 USER MOD Single : A 666 MET CE :methyl 143:sc= -3.61! (180deg=-5.92!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 79:sc= 0.0877 USER MOD Single : A 671 ASN : amide:sc= 0 X(o=0,f=0.019) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 677 GLN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.590 -5.497 -0.799 1.00 11.11 N ATOM 79 CA GLU A 585 -13.415 -4.627 -1.913 1.00 24.14 C ATOM 80 C GLU A 585 -12.413 -3.551 -1.608 1.00 42.52 C ATOM 81 O GLU A 585 -12.137 -3.246 -0.439 1.00 21.23 O ATOM 82 CB GLU A 585 -14.741 -4.048 -2.389 1.00 53.14 C ATOM 83 CG GLU A 585 -15.526 -3.305 -1.338 1.00 42.40 C ATOM 84 CD GLU A 585 -16.801 -2.752 -1.895 1.00 24.14 C ATOM 85 OE1 GLU A 585 -17.814 -3.483 -1.925 1.00 2.42 O ATOM 86 OE2 GLU A 585 -16.814 -1.579 -2.327 1.00 20.23 O ATOM 0 HA GLU A 585 -13.016 -5.221 -2.735 1.00 24.14 H new ATOM 0 HB2 GLU A 585 -14.547 -3.372 -3.222 1.00 53.14 H new ATOM 0 HB3 GLU A 585 -15.357 -4.860 -2.775 1.00 53.14 H new ATOM 0 HG2 GLU A 585 -15.751 -3.975 -0.508 1.00 42.40 H new ATOM 0 HG3 GLU A 585 -14.920 -2.493 -0.936 1.00 42.40 H new ATOM 93 N PHE A 586 -11.852 -3.008 -2.644 1.00 75.43 N ATOM 94 CA PHE A 586 -10.857 -1.987 -2.534 1.00 55.02 C ATOM 95 C PHE A 586 -11.481 -0.621 -2.627 1.00 30.12 C ATOM 96 O PHE A 586 -12.158 -0.301 -3.614 1.00 61.04 O ATOM 97 CB PHE A 586 -9.828 -2.161 -3.639 1.00 43.34 C ATOM 98 CG PHE A 586 -9.065 -3.425 -3.497 1.00 0.22 C ATOM 99 CD1 PHE A 586 -7.951 -3.457 -2.712 1.00 12.32 C ATOM 100 CD2 PHE A 586 -9.472 -4.586 -4.131 1.00 31.22 C ATOM 101 CE1 PHE A 586 -7.239 -4.609 -2.550 1.00 42.11 C ATOM 102 CE2 PHE A 586 -8.765 -5.755 -3.969 1.00 73.14 C ATOM 103 CZ PHE A 586 -7.641 -5.767 -3.176 1.00 22.24 C ATOM 0 H PHE A 586 -12.076 -3.266 -3.605 1.00 75.43 H new ATOM 0 HA PHE A 586 -10.371 -2.076 -1.563 1.00 55.02 H new ATOM 0 HB2 PHE A 586 -10.330 -2.148 -4.606 1.00 43.34 H new ATOM 0 HB3 PHE A 586 -9.137 -1.318 -3.627 1.00 43.34 H new ATOM 0 HD1 PHE A 586 -7.627 -2.557 -2.211 1.00 12.32 H new ATOM 0 HD2 PHE A 586 -10.351 -4.574 -4.758 1.00 31.22 H new ATOM 0 HE1 PHE A 586 -6.356 -4.613 -1.928 1.00 42.11 H new ATOM 0 HE2 PHE A 586 -9.091 -6.659 -4.462 1.00 73.14 H new ATOM 0 HZ PHE A 586 -7.078 -6.679 -3.045 1.00 22.24 H new ATOM 113 N LEU A 587 -11.272 0.171 -1.619 1.00 5.34 N ATOM 114 CA LEU A 587 -11.763 1.529 -1.606 1.00 42.13 C ATOM 115 C LEU A 587 -10.618 2.475 -1.728 1.00 30.21 C ATOM 116 O LEU A 587 -9.521 2.212 -1.214 1.00 4.21 O ATOM 117 CB LEU A 587 -12.603 1.875 -0.351 1.00 71.15 C ATOM 118 CG LEU A 587 -14.027 1.287 -0.255 1.00 13.13 C ATOM 119 CD1 LEU A 587 -14.021 -0.217 -0.200 1.00 60.00 C ATOM 120 CD2 LEU A 587 -14.757 1.863 0.943 1.00 73.10 C ATOM 0 H LEU A 587 -10.758 -0.099 -0.780 1.00 5.34 H new ATOM 0 HA LEU A 587 -12.435 1.627 -2.459 1.00 42.13 H new ATOM 0 HB2 LEU A 587 -12.045 1.547 0.526 1.00 71.15 H new ATOM 0 HB3 LEU A 587 -12.684 2.960 -0.290 1.00 71.15 H new ATOM 0 HG LEU A 587 -14.557 1.571 -1.164 1.00 13.13 H new ATOM 0 HD11 LEU A 587 -15.046 -0.583 -0.133 1.00 60.00 H new ATOM 0 HD12 LEU A 587 -13.553 -0.612 -1.102 1.00 60.00 H new ATOM 0 HD13 LEU A 587 -13.460 -0.547 0.674 1.00 60.00 H new ATOM 0 HD21 LEU A 587 -15.760 1.439 0.997 1.00 73.10 H new ATOM 0 HD22 LEU A 587 -14.210 1.619 1.854 1.00 73.10 H new ATOM 0 HD23 LEU A 587 -14.827 2.946 0.841 1.00 73.10 H new ATOM 132 N THR A 588 -10.837 3.546 -2.418 1.00 42.33 N ATOM 133 CA THR A 588 -9.822 4.519 -2.593 1.00 10.03 C ATOM 134 C THR A 588 -10.191 5.782 -1.831 1.00 10.30 C ATOM 135 O THR A 588 -11.238 6.389 -2.062 1.00 1.03 O ATOM 136 CB THR A 588 -9.642 4.832 -4.089 1.00 62.15 C ATOM 137 OG1 THR A 588 -9.416 3.596 -4.792 1.00 21.24 O ATOM 138 CG2 THR A 588 -8.456 5.755 -4.316 1.00 61.42 C ATOM 0 H THR A 588 -11.723 3.766 -2.873 1.00 42.33 H new ATOM 0 HA THR A 588 -8.881 4.131 -2.205 1.00 10.03 H new ATOM 0 HB THR A 588 -10.540 5.330 -4.455 1.00 62.15 H new ATOM 0 HG1 THR A 588 -9.301 3.780 -5.748 1.00 21.24 H new ATOM 0 HG21 THR A 588 -8.353 5.959 -5.382 1.00 61.42 H new ATOM 0 HG22 THR A 588 -8.616 6.691 -3.781 1.00 61.42 H new ATOM 0 HG23 THR A 588 -7.548 5.278 -3.948 1.00 61.42 H new ATOM 146 N PHE A 589 -9.342 6.158 -0.936 1.00 4.42 N ATOM 147 CA PHE A 589 -9.522 7.347 -0.157 1.00 21.14 C ATOM 148 C PHE A 589 -8.395 8.294 -0.462 1.00 20.33 C ATOM 149 O PHE A 589 -7.245 7.949 -0.283 1.00 42.35 O ATOM 150 CB PHE A 589 -9.548 7.008 1.338 1.00 13.55 C ATOM 151 CG PHE A 589 -10.739 6.186 1.714 1.00 13.01 C ATOM 152 CD1 PHE A 589 -11.995 6.689 1.497 1.00 13.41 C ATOM 153 CD2 PHE A 589 -10.609 4.924 2.285 1.00 23.43 C ATOM 154 CE1 PHE A 589 -13.107 5.981 1.826 1.00 51.12 C ATOM 155 CE2 PHE A 589 -11.738 4.188 2.629 1.00 1.11 C ATOM 156 CZ PHE A 589 -12.991 4.723 2.397 1.00 44.33 C ATOM 0 H PHE A 589 -8.489 5.644 -0.718 1.00 4.42 H new ATOM 0 HA PHE A 589 -10.474 7.814 -0.410 1.00 21.14 H new ATOM 0 HB2 PHE A 589 -8.639 6.468 1.601 1.00 13.55 H new ATOM 0 HB3 PHE A 589 -9.549 7.931 1.917 1.00 13.55 H new ATOM 0 HD1 PHE A 589 -12.103 7.669 1.055 1.00 13.41 H new ATOM 0 HD2 PHE A 589 -9.626 4.513 2.462 1.00 23.43 H new ATOM 0 HE1 PHE A 589 -14.085 6.400 1.642 1.00 51.12 H new ATOM 0 HE2 PHE A 589 -11.637 3.209 3.073 1.00 1.11 H new ATOM 0 HZ PHE A 589 -13.876 4.163 2.660 1.00 44.33 H new ATOM 166 N GLU A 590 -8.699 9.453 -0.953 1.00 33.43 N ATOM 167 CA GLU A 590 -7.662 10.394 -1.305 1.00 64.04 C ATOM 168 C GLU A 590 -7.674 11.559 -0.359 1.00 64.42 C ATOM 169 O GLU A 590 -8.666 12.257 -0.224 1.00 14.41 O ATOM 170 CB GLU A 590 -7.786 10.815 -2.753 1.00 3.24 C ATOM 171 CG GLU A 590 -7.706 9.621 -3.687 1.00 71.15 C ATOM 172 CD GLU A 590 -7.848 9.965 -5.128 1.00 74.30 C ATOM 173 OE1 GLU A 590 -8.988 10.132 -5.594 1.00 63.14 O ATOM 174 OE2 GLU A 590 -6.821 10.044 -5.826 1.00 64.25 O ATOM 0 H GLU A 590 -9.651 9.778 -1.122 1.00 33.43 H new ATOM 0 HA GLU A 590 -6.691 9.910 -1.205 1.00 64.04 H new ATOM 0 HB2 GLU A 590 -8.733 11.333 -2.903 1.00 3.24 H new ATOM 0 HB3 GLU A 590 -6.994 11.523 -2.997 1.00 3.24 H new ATOM 0 HG2 GLU A 590 -6.750 9.120 -3.537 1.00 71.15 H new ATOM 0 HG3 GLU A 590 -8.485 8.909 -3.416 1.00 71.15 H new ATOM 181 N VAL A 591 -6.571 11.752 0.272 1.00 3.13 N ATOM 182 CA VAL A 591 -6.415 12.700 1.330 1.00 64.03 C ATOM 183 C VAL A 591 -5.456 13.792 0.906 1.00 55.33 C ATOM 184 O VAL A 591 -4.312 13.525 0.601 1.00 24.35 O ATOM 185 CB VAL A 591 -5.854 11.964 2.575 1.00 75.34 C ATOM 186 CG1 VAL A 591 -5.604 12.914 3.728 1.00 62.45 C ATOM 187 CG2 VAL A 591 -6.823 10.877 2.996 1.00 21.20 C ATOM 0 H VAL A 591 -5.716 11.237 0.061 1.00 3.13 H new ATOM 0 HA VAL A 591 -7.378 13.153 1.567 1.00 64.03 H new ATOM 0 HB VAL A 591 -4.895 11.523 2.304 1.00 75.34 H new ATOM 0 HG11 VAL A 591 -5.212 12.358 4.579 1.00 62.45 H new ATOM 0 HG12 VAL A 591 -4.881 13.671 3.425 1.00 62.45 H new ATOM 0 HG13 VAL A 591 -6.539 13.397 4.010 1.00 62.45 H new ATOM 0 HG21 VAL A 591 -6.431 10.359 3.871 1.00 21.20 H new ATOM 0 HG22 VAL A 591 -7.787 11.324 3.241 1.00 21.20 H new ATOM 0 HG23 VAL A 591 -6.950 10.166 2.179 1.00 21.20 H new ATOM 197 N PRO A 592 -5.905 15.025 0.840 1.00 14.13 N ATOM 198 CA PRO A 592 -5.045 16.123 0.474 1.00 43.22 C ATOM 199 C PRO A 592 -4.162 16.542 1.632 1.00 53.13 C ATOM 200 O PRO A 592 -4.552 16.414 2.807 1.00 42.14 O ATOM 201 CB PRO A 592 -6.022 17.238 0.127 1.00 41.44 C ATOM 202 CG PRO A 592 -7.213 16.959 0.961 1.00 32.04 C ATOM 203 CD PRO A 592 -7.287 15.463 1.112 1.00 41.23 C ATOM 0 HA PRO A 592 -4.368 15.868 -0.342 1.00 43.22 H new ATOM 0 HB2 PRO A 592 -5.601 18.218 0.351 1.00 41.44 H new ATOM 0 HB3 PRO A 592 -6.270 17.232 -0.934 1.00 41.44 H new ATOM 0 HG2 PRO A 592 -7.128 17.443 1.934 1.00 32.04 H new ATOM 0 HG3 PRO A 592 -8.116 17.347 0.490 1.00 32.04 H new ATOM 0 HD2 PRO A 592 -7.610 15.175 2.112 1.00 41.23 H new ATOM 0 HD3 PRO A 592 -7.994 15.022 0.409 1.00 41.23 H new ATOM 211 N LEU A 593 -2.980 17.017 1.322 1.00 20.05 N ATOM 212 CA LEU A 593 -2.095 17.555 2.332 1.00 12.13 C ATOM 213 C LEU A 593 -2.642 18.905 2.773 1.00 74.14 C ATOM 214 O LEU A 593 -2.318 19.953 2.200 1.00 14.34 O ATOM 215 CB LEU A 593 -0.613 17.658 1.847 1.00 22.52 C ATOM 216 CG LEU A 593 0.224 16.339 1.715 1.00 74.42 C ATOM 217 CD1 LEU A 593 0.427 15.681 3.067 1.00 51.43 C ATOM 218 CD2 LEU A 593 -0.400 15.346 0.736 1.00 2.22 C ATOM 0 H LEU A 593 -2.605 17.043 0.374 1.00 20.05 H new ATOM 0 HA LEU A 593 -2.068 16.870 3.179 1.00 12.13 H new ATOM 0 HB2 LEU A 593 -0.616 18.148 0.873 1.00 22.52 H new ATOM 0 HB3 LEU A 593 -0.084 18.319 2.534 1.00 22.52 H new ATOM 0 HG LEU A 593 1.195 16.630 1.313 1.00 74.42 H new ATOM 0 HD11 LEU A 593 1.011 14.769 2.944 1.00 51.43 H new ATOM 0 HD12 LEU A 593 0.958 16.365 3.729 1.00 51.43 H new ATOM 0 HD13 LEU A 593 -0.542 15.436 3.501 1.00 51.43 H new ATOM 0 HD21 LEU A 593 0.219 14.450 0.682 1.00 2.22 H new ATOM 0 HD22 LEU A 593 -1.399 15.076 1.078 1.00 2.22 H new ATOM 0 HD23 LEU A 593 -0.466 15.802 -0.252 1.00 2.22 H new ATOM 230 N ASN A 594 -3.572 18.841 3.699 1.00 65.14 N ATOM 231 CA ASN A 594 -4.265 20.034 4.211 1.00 23.21 C ATOM 232 C ASN A 594 -3.770 20.402 5.615 1.00 32.32 C ATOM 233 O ASN A 594 -2.974 21.321 5.778 1.00 62.32 O ATOM 234 CB ASN A 594 -5.812 19.816 4.175 1.00 71.42 C ATOM 235 CG ASN A 594 -6.658 21.045 4.573 1.00 10.25 C ATOM 236 OD1 ASN A 594 -6.259 21.877 5.385 1.00 61.20 O ATOM 237 ND2 ASN A 594 -7.840 21.158 3.994 1.00 22.21 N ATOM 0 H ASN A 594 -3.880 17.968 4.127 1.00 65.14 H new ATOM 0 HA ASN A 594 -4.032 20.879 3.563 1.00 23.21 H new ATOM 0 HB2 ASN A 594 -6.096 19.510 3.168 1.00 71.42 H new ATOM 0 HB3 ASN A 594 -6.062 18.991 4.842 1.00 71.42 H new ATOM 0 HD21 ASN A 594 -8.444 21.949 4.218 1.00 22.21 H new ATOM 0 HD22 ASN A 594 -8.149 20.454 3.323 1.00 22.21 H new ATOM 244 N ASP A 595 -4.204 19.656 6.618 1.00 14.35 N ATOM 245 CA ASP A 595 -3.800 19.923 8.015 1.00 22.33 C ATOM 246 C ASP A 595 -2.723 18.900 8.375 1.00 55.25 C ATOM 247 O ASP A 595 -2.534 18.519 9.513 1.00 44.21 O ATOM 248 CB ASP A 595 -5.025 19.784 8.960 1.00 1.12 C ATOM 249 CG ASP A 595 -4.784 20.361 10.372 1.00 42.44 C ATOM 250 OD1 ASP A 595 -4.225 19.671 11.245 1.00 62.33 O ATOM 251 OD2 ASP A 595 -5.173 21.517 10.619 1.00 45.22 O ATOM 0 H ASP A 595 -4.834 18.861 6.506 1.00 14.35 H new ATOM 0 HA ASP A 595 -3.415 20.937 8.124 1.00 22.33 H new ATOM 0 HB2 ASP A 595 -5.879 20.290 8.511 1.00 1.12 H new ATOM 0 HB3 ASP A 595 -5.288 18.730 9.047 1.00 1.12 H new ATOM 256 N SER A 596 -1.972 18.528 7.372 1.00 65.31 N ATOM 257 CA SER A 596 -0.962 17.499 7.448 1.00 41.22 C ATOM 258 C SER A 596 0.286 17.904 8.265 1.00 11.21 C ATOM 259 O SER A 596 1.297 17.185 8.281 1.00 61.21 O ATOM 260 CB SER A 596 -0.597 17.108 6.047 1.00 33.23 C ATOM 261 OG SER A 596 -1.768 16.675 5.355 1.00 51.12 O ATOM 0 H SER A 596 -2.048 18.947 6.445 1.00 65.31 H new ATOM 0 HA SER A 596 -1.379 16.651 7.992 1.00 41.22 H new ATOM 0 HB2 SER A 596 -0.146 17.954 5.528 1.00 33.23 H new ATOM 0 HB3 SER A 596 0.146 16.310 6.062 1.00 33.23 H new ATOM 0 HG SER A 596 -1.975 15.751 5.609 1.00 51.12 H new ATOM 267 N GLY A 597 0.207 19.019 8.942 1.00 33.53 N ATOM 268 CA GLY A 597 1.277 19.444 9.784 1.00 32.04 C ATOM 269 C GLY A 597 1.132 18.884 11.190 1.00 61.32 C ATOM 270 O GLY A 597 2.112 18.781 11.935 1.00 61.25 O ATOM 0 H GLY A 597 -0.596 19.648 8.922 1.00 33.53 H new ATOM 0 HA2 GLY A 597 2.227 19.121 9.358 1.00 32.04 H new ATOM 0 HA3 GLY A 597 1.299 20.533 9.825 1.00 32.04 H new ATOM 274 N SER A 598 -0.086 18.523 11.556 1.00 12.20 N ATOM 275 CA SER A 598 -0.353 17.938 12.860 1.00 61.44 C ATOM 276 C SER A 598 -0.046 16.449 12.828 1.00 24.31 C ATOM 277 O SER A 598 0.470 15.859 13.791 1.00 63.45 O ATOM 278 CB SER A 598 -1.811 18.198 13.251 1.00 20.21 C ATOM 279 OG SER A 598 -2.700 17.714 12.246 1.00 52.25 O ATOM 0 H SER A 598 -0.911 18.625 10.965 1.00 12.20 H new ATOM 0 HA SER A 598 0.289 18.399 13.611 1.00 61.44 H new ATOM 0 HB2 SER A 598 -2.030 17.711 14.201 1.00 20.21 H new ATOM 0 HB3 SER A 598 -1.968 19.267 13.397 1.00 20.21 H new ATOM 0 HG SER A 598 -3.053 18.469 11.730 1.00 52.25 H new ATOM 285 N ALA A 599 -0.366 15.890 11.722 1.00 15.55 N ATOM 286 CA ALA A 599 -0.167 14.536 11.370 1.00 31.10 C ATOM 287 C ALA A 599 -0.377 14.516 9.895 1.00 2.43 C ATOM 288 O ALA A 599 -1.114 15.354 9.396 1.00 52.04 O ATOM 289 CB ALA A 599 -1.175 13.634 12.072 1.00 23.13 C ATOM 0 H ALA A 599 -0.815 16.417 10.973 1.00 15.55 H new ATOM 0 HA ALA A 599 0.817 14.168 11.662 1.00 31.10 H new ATOM 0 HB1 ALA A 599 -0.999 12.598 11.783 1.00 23.13 H new ATOM 0 HB2 ALA A 599 -1.063 13.734 13.152 1.00 23.13 H new ATOM 0 HB3 ALA A 599 -2.185 13.924 11.784 1.00 23.13 H new ATOM 295 N GLY A 600 0.237 13.608 9.208 1.00 31.11 N ATOM 296 CA GLY A 600 0.172 13.596 7.752 1.00 2.02 C ATOM 297 C GLY A 600 -1.228 13.381 7.270 1.00 34.43 C ATOM 298 O GLY A 600 -1.768 14.162 6.478 1.00 4.14 O ATOM 0 H GLY A 600 0.794 12.857 9.616 1.00 31.11 H new ATOM 0 HA2 GLY A 600 0.552 14.540 7.362 1.00 2.02 H new ATOM 0 HA3 GLY A 600 0.817 12.808 7.364 1.00 2.02 H new ATOM 302 N LEU A 601 -1.807 12.337 7.732 1.00 73.33 N ATOM 303 CA LEU A 601 -3.166 12.035 7.436 1.00 14.50 C ATOM 304 C LEU A 601 -3.953 12.100 8.691 1.00 31.41 C ATOM 305 O LEU A 601 -5.130 12.497 8.692 1.00 1.02 O ATOM 306 CB LEU A 601 -3.318 10.646 6.803 1.00 32.50 C ATOM 307 CG LEU A 601 -2.819 10.464 5.366 1.00 41.45 C ATOM 308 CD1 LEU A 601 -1.335 10.619 5.261 1.00 55.12 C ATOM 309 CD2 LEU A 601 -3.240 9.130 4.836 1.00 52.12 C ATOM 0 H LEU A 601 -1.348 11.655 8.336 1.00 73.33 H new ATOM 0 HA LEU A 601 -3.532 12.765 6.714 1.00 14.50 H new ATOM 0 HB2 LEU A 601 -2.793 9.930 7.435 1.00 32.50 H new ATOM 0 HB3 LEU A 601 -4.374 10.379 6.828 1.00 32.50 H new ATOM 0 HG LEU A 601 -3.272 11.251 4.762 1.00 41.45 H new ATOM 0 HD11 LEU A 601 -1.027 10.482 4.224 1.00 55.12 H new ATOM 0 HD12 LEU A 601 -1.049 11.616 5.595 1.00 55.12 H new ATOM 0 HD13 LEU A 601 -0.846 9.872 5.887 1.00 55.12 H new ATOM 0 HD21 LEU A 601 -2.879 9.014 3.814 1.00 52.12 H new ATOM 0 HD22 LEU A 601 -2.821 8.341 5.461 1.00 52.12 H new ATOM 0 HD23 LEU A 601 -4.328 9.061 4.846 1.00 52.12 H new ATOM 321 N GLY A 602 -3.303 11.724 9.760 1.00 43.23 N ATOM 322 CA GLY A 602 -3.920 11.681 11.010 1.00 34.51 C ATOM 323 C GLY A 602 -4.558 10.360 11.194 1.00 32.33 C ATOM 324 O GLY A 602 -5.719 10.254 11.565 1.00 33.01 O ATOM 0 H GLY A 602 -2.323 11.441 9.762 1.00 43.23 H new ATOM 0 HA2 GLY A 602 -3.186 11.856 11.797 1.00 34.51 H new ATOM 0 HA3 GLY A 602 -4.666 12.472 11.088 1.00 34.51 H new ATOM 328 N VAL A 603 -3.824 9.333 10.874 1.00 12.22 N ATOM 329 CA VAL A 603 -4.292 8.011 11.094 1.00 51.40 C ATOM 330 C VAL A 603 -3.175 7.269 11.762 1.00 73.45 C ATOM 331 O VAL A 603 -2.002 7.609 11.587 1.00 72.21 O ATOM 332 CB VAL A 603 -4.628 7.278 9.746 1.00 35.12 C ATOM 333 CG1 VAL A 603 -5.307 5.950 9.982 1.00 32.11 C ATOM 334 CG2 VAL A 603 -5.447 8.140 8.813 1.00 20.53 C ATOM 0 H VAL A 603 -2.895 9.395 10.458 1.00 12.22 H new ATOM 0 HA VAL A 603 -5.202 8.043 11.693 1.00 51.40 H new ATOM 0 HB VAL A 603 -3.673 7.084 9.258 1.00 35.12 H new ATOM 0 HG11 VAL A 603 -5.522 5.476 9.024 1.00 32.11 H new ATOM 0 HG12 VAL A 603 -4.651 5.305 10.567 1.00 32.11 H new ATOM 0 HG13 VAL A 603 -6.238 6.109 10.525 1.00 32.11 H new ATOM 0 HG21 VAL A 603 -5.653 7.589 7.896 1.00 20.53 H new ATOM 0 HG22 VAL A 603 -6.387 8.407 9.295 1.00 20.53 H new ATOM 0 HG23 VAL A 603 -4.892 9.047 8.574 1.00 20.53 H new ATOM 344 N SER A 604 -3.505 6.311 12.526 1.00 14.12 N ATOM 345 CA SER A 604 -2.540 5.452 13.058 1.00 71.21 C ATOM 346 C SER A 604 -2.789 4.098 12.481 1.00 62.03 C ATOM 347 O SER A 604 -3.948 3.640 12.407 1.00 34.21 O ATOM 348 CB SER A 604 -2.620 5.420 14.573 1.00 4.14 C ATOM 349 OG SER A 604 -2.520 6.728 15.101 1.00 44.53 O ATOM 0 H SER A 604 -4.464 6.100 12.802 1.00 14.12 H new ATOM 0 HA SER A 604 -1.538 5.797 12.804 1.00 71.21 H new ATOM 0 HB2 SER A 604 -3.561 4.967 14.884 1.00 4.14 H new ATOM 0 HB3 SER A 604 -1.819 4.798 14.972 1.00 4.14 H new ATOM 0 HG SER A 604 -2.575 6.691 16.079 1.00 44.53 H new ATOM 355 N VAL A 605 -1.762 3.481 12.046 1.00 75.44 N ATOM 356 CA VAL A 605 -1.835 2.179 11.500 1.00 32.32 C ATOM 357 C VAL A 605 -0.902 1.242 12.204 1.00 33.42 C ATOM 358 O VAL A 605 0.024 1.663 12.863 1.00 71.05 O ATOM 359 CB VAL A 605 -1.552 2.143 9.995 1.00 1.14 C ATOM 360 CG1 VAL A 605 -2.747 2.628 9.204 1.00 21.22 C ATOM 361 CG2 VAL A 605 -0.326 2.981 9.629 1.00 35.41 C ATOM 0 H VAL A 605 -0.821 3.874 12.058 1.00 75.44 H new ATOM 0 HA VAL A 605 -2.864 1.853 11.651 1.00 32.32 H new ATOM 0 HB VAL A 605 -1.350 1.103 9.738 1.00 1.14 H new ATOM 0 HG11 VAL A 605 -2.518 2.592 8.139 1.00 21.22 H new ATOM 0 HG12 VAL A 605 -3.605 1.989 9.412 1.00 21.22 H new ATOM 0 HG13 VAL A 605 -2.981 3.654 9.490 1.00 21.22 H new ATOM 0 HG21 VAL A 605 -0.158 2.930 8.553 1.00 35.41 H new ATOM 0 HG22 VAL A 605 -0.493 4.018 9.921 1.00 35.41 H new ATOM 0 HG23 VAL A 605 0.549 2.593 10.151 1.00 35.41 H new ATOM 371 N LYS A 606 -1.168 -0.005 12.075 1.00 55.53 N ATOM 372 CA LYS A 606 -0.358 -1.043 12.675 1.00 3.42 C ATOM 373 C LYS A 606 -0.392 -2.262 11.815 1.00 51.14 C ATOM 374 O LYS A 606 -1.350 -2.476 11.085 1.00 51.34 O ATOM 375 CB LYS A 606 -0.786 -1.402 14.103 1.00 35.02 C ATOM 376 CG LYS A 606 -2.179 -1.983 14.241 1.00 3.24 C ATOM 377 CD LYS A 606 -2.397 -2.470 15.656 1.00 52.33 C ATOM 378 CE LYS A 606 -3.785 -3.062 15.859 1.00 74.31 C ATOM 379 NZ LYS A 606 -4.064 -4.190 14.935 1.00 40.45 N ATOM 0 H LYS A 606 -1.964 -0.357 11.544 1.00 55.53 H new ATOM 0 HA LYS A 606 0.656 -0.650 12.745 1.00 3.42 H new ATOM 0 HB2 LYS A 606 -0.071 -2.118 14.509 1.00 35.02 H new ATOM 0 HB3 LYS A 606 -0.723 -0.505 14.719 1.00 35.02 H new ATOM 0 HG2 LYS A 606 -2.924 -1.228 13.988 1.00 3.24 H new ATOM 0 HG3 LYS A 606 -2.310 -2.807 13.540 1.00 3.24 H new ATOM 0 HD2 LYS A 606 -1.646 -3.221 15.899 1.00 52.33 H new ATOM 0 HD3 LYS A 606 -2.254 -1.641 16.349 1.00 52.33 H new ATOM 0 HE2 LYS A 606 -3.882 -3.408 16.888 1.00 74.31 H new ATOM 0 HE3 LYS A 606 -4.533 -2.283 15.712 1.00 74.31 H new ATOM 0 HZ1 LYS A 606 -4.664 -4.891 15.414 1.00 40.45 H new ATOM 0 HZ2 LYS A 606 -4.555 -3.834 14.090 1.00 40.45 H new ATOM 0 HZ3 LYS A 606 -3.168 -4.637 14.652 1.00 40.45 H new ATOM 393 N GLY A 607 0.625 -3.044 11.872 1.00 40.31 N ATOM 394 CA GLY A 607 0.661 -4.198 11.043 1.00 11.44 C ATOM 395 C GLY A 607 0.589 -5.475 11.805 1.00 44.23 C ATOM 396 O GLY A 607 1.354 -5.695 12.745 1.00 25.14 O ATOM 0 H GLY A 607 1.436 -2.911 12.476 1.00 40.31 H new ATOM 0 HA2 GLY A 607 -0.170 -4.156 10.339 1.00 11.44 H new ATOM 0 HA3 GLY A 607 1.579 -4.185 10.455 1.00 11.44 H new ATOM 400 N ASN A 608 -0.324 -6.318 11.403 1.00 54.42 N ATOM 401 CA ASN A 608 -0.465 -7.626 11.988 1.00 42.42 C ATOM 402 C ASN A 608 0.084 -8.642 11.029 1.00 75.21 C ATOM 403 O ASN A 608 -0.064 -8.507 9.809 1.00 1.13 O ATOM 404 CB ASN A 608 -1.935 -7.985 12.310 1.00 64.20 C ATOM 405 CG ASN A 608 -2.575 -7.174 13.438 1.00 43.13 C ATOM 406 OD1 ASN A 608 -2.265 -5.999 13.663 1.00 75.44 O ATOM 407 ND2 ASN A 608 -3.469 -7.805 14.160 1.00 3.42 N ATOM 0 H ASN A 608 -0.993 -6.118 10.659 1.00 54.42 H new ATOM 0 HA ASN A 608 0.083 -7.626 12.930 1.00 42.42 H new ATOM 0 HB2 ASN A 608 -2.530 -7.852 11.407 1.00 64.20 H new ATOM 0 HB3 ASN A 608 -1.984 -9.042 12.572 1.00 64.20 H new ATOM 0 HD21 ASN A 608 -3.931 -7.326 14.933 1.00 3.42 H new ATOM 0 HD22 ASN A 608 -3.703 -8.775 13.949 1.00 3.42 H new ATOM 414 N ARG A 609 0.769 -9.596 11.542 1.00 3.03 N ATOM 415 CA ARG A 609 1.276 -10.686 10.755 1.00 72.14 C ATOM 416 C ARG A 609 1.032 -11.975 11.468 1.00 73.34 C ATOM 417 O ARG A 609 0.769 -11.994 12.670 1.00 24.33 O ATOM 418 CB ARG A 609 2.764 -10.519 10.477 1.00 45.22 C ATOM 419 CG ARG A 609 3.594 -10.458 11.724 1.00 43.30 C ATOM 420 CD ARG A 609 5.017 -10.081 11.428 1.00 2.41 C ATOM 421 NE ARG A 609 5.690 -9.666 12.649 1.00 10.52 N ATOM 422 CZ ARG A 609 5.934 -8.391 12.961 1.00 42.53 C ATOM 423 NH1 ARG A 609 5.648 -7.429 12.092 1.00 13.21 N ATOM 424 NH2 ARG A 609 6.468 -8.083 14.137 1.00 54.23 N ATOM 0 H ARG A 609 1.003 -9.654 12.533 1.00 3.03 H new ATOM 0 HA ARG A 609 0.753 -10.692 9.799 1.00 72.14 H new ATOM 0 HB2 ARG A 609 3.107 -11.349 9.860 1.00 45.22 H new ATOM 0 HB3 ARG A 609 2.919 -9.607 9.900 1.00 45.22 H new ATOM 0 HG2 ARG A 609 3.162 -9.733 12.413 1.00 43.30 H new ATOM 0 HG3 ARG A 609 3.571 -11.426 12.224 1.00 43.30 H new ATOM 0 HD2 ARG A 609 5.541 -10.928 10.985 1.00 2.41 H new ATOM 0 HD3 ARG A 609 5.042 -9.273 10.697 1.00 2.41 H new ATOM 0 HE ARG A 609 5.992 -10.389 13.303 1.00 10.52 H new ATOM 0 HH11 ARG A 609 5.242 -7.664 11.186 1.00 13.21 H new ATOM 0 HH12 ARG A 609 5.834 -6.455 12.330 1.00 13.21 H new ATOM 0 HH21 ARG A 609 6.693 -8.821 14.804 1.00 54.23 H new ATOM 0 HH22 ARG A 609 6.654 -7.108 14.373 1.00 54.23 H new ATOM 438 N SER A 610 1.104 -13.023 10.755 1.00 0.43 N ATOM 439 CA SER A 610 1.049 -14.320 11.335 1.00 1.05 C ATOM 440 C SER A 610 2.346 -14.590 12.043 1.00 32.31 C ATOM 441 O SER A 610 3.428 -14.347 11.487 1.00 54.45 O ATOM 442 CB SER A 610 0.703 -15.351 10.296 1.00 72.05 C ATOM 443 OG SER A 610 -0.573 -15.086 9.745 1.00 4.22 O ATOM 0 H SER A 610 1.204 -13.017 9.740 1.00 0.43 H new ATOM 0 HA SER A 610 0.253 -14.376 12.078 1.00 1.05 H new ATOM 0 HB2 SER A 610 1.455 -15.348 9.507 1.00 72.05 H new ATOM 0 HB3 SER A 610 0.714 -16.345 10.743 1.00 72.05 H new ATOM 0 HG SER A 610 -0.785 -15.763 9.069 1.00 4.22 H new ATOM 518 N ALA A 615 3.294 -15.246 7.560 1.00 43.33 N ATOM 519 CA ALA A 615 2.885 -14.367 6.479 1.00 75.20 C ATOM 520 C ALA A 615 2.424 -13.098 7.126 1.00 15.25 C ATOM 521 O ALA A 615 2.065 -13.120 8.292 1.00 4.32 O ATOM 522 CB ALA A 615 1.729 -14.968 5.683 1.00 32.31 C ATOM 0 HA ALA A 615 3.712 -14.207 5.787 1.00 75.20 H new ATOM 0 HB1 ALA A 615 1.446 -14.286 4.881 1.00 32.31 H new ATOM 0 HB2 ALA A 615 2.038 -15.922 5.256 1.00 32.31 H new ATOM 0 HB3 ALA A 615 0.876 -15.126 6.343 1.00 32.31 H new ATOM 528 N ASP A 616 2.458 -12.009 6.438 1.00 35.51 N ATOM 529 CA ASP A 616 1.940 -10.782 7.005 1.00 42.24 C ATOM 530 C ASP A 616 0.463 -10.702 6.691 1.00 5.44 C ATOM 531 O ASP A 616 0.009 -11.246 5.675 1.00 60.41 O ATOM 532 CB ASP A 616 2.660 -9.532 6.460 1.00 65.12 C ATOM 533 CG ASP A 616 2.344 -9.236 5.006 1.00 45.41 C ATOM 534 OD1 ASP A 616 2.975 -9.838 4.111 1.00 3.35 O ATOM 535 OD2 ASP A 616 1.457 -8.404 4.748 1.00 72.22 O ATOM 0 H ASP A 616 2.831 -11.928 5.492 1.00 35.51 H new ATOM 0 HA ASP A 616 2.112 -10.800 8.081 1.00 42.24 H new ATOM 0 HB2 ASP A 616 2.383 -8.670 7.066 1.00 65.12 H new ATOM 0 HB3 ASP A 616 3.736 -9.666 6.569 1.00 65.12 H new ATOM 540 N LEU A 617 -0.294 -10.075 7.555 1.00 74.21 N ATOM 541 CA LEU A 617 -1.715 -9.886 7.321 1.00 1.23 C ATOM 542 C LEU A 617 -1.934 -8.479 6.811 1.00 31.55 C ATOM 543 O LEU A 617 -3.048 -8.070 6.505 1.00 21.14 O ATOM 544 CB LEU A 617 -2.517 -10.144 8.602 1.00 3.14 C ATOM 545 CG LEU A 617 -2.352 -11.537 9.230 1.00 10.35 C ATOM 546 CD1 LEU A 617 -3.186 -11.661 10.489 1.00 31.13 C ATOM 547 CD2 LEU A 617 -2.720 -12.633 8.233 1.00 1.43 C ATOM 0 H LEU A 617 0.046 -9.683 8.433 1.00 74.21 H new ATOM 0 HA LEU A 617 -2.066 -10.600 6.576 1.00 1.23 H new ATOM 0 HB2 LEU A 617 -2.231 -9.397 9.343 1.00 3.14 H new ATOM 0 HB3 LEU A 617 -3.573 -9.988 8.383 1.00 3.14 H new ATOM 0 HG LEU A 617 -1.303 -11.661 9.499 1.00 10.35 H new ATOM 0 HD11 LEU A 617 -3.054 -12.655 10.917 1.00 31.13 H new ATOM 0 HD12 LEU A 617 -2.868 -10.910 11.212 1.00 31.13 H new ATOM 0 HD13 LEU A 617 -4.237 -11.508 10.246 1.00 31.13 H new ATOM 0 HD21 LEU A 617 -2.595 -13.609 8.702 1.00 1.43 H new ATOM 0 HD22 LEU A 617 -3.758 -12.510 7.924 1.00 1.43 H new ATOM 0 HD23 LEU A 617 -2.071 -12.564 7.360 1.00 1.43 H new ATOM 559 N GLY A 618 -0.837 -7.761 6.720 1.00 3.13 N ATOM 560 CA GLY A 618 -0.847 -6.422 6.195 1.00 63.45 C ATOM 561 C GLY A 618 -0.943 -5.368 7.266 1.00 25.41 C ATOM 562 O GLY A 618 -0.853 -5.663 8.468 1.00 40.13 O ATOM 0 H GLY A 618 0.084 -8.092 7.008 1.00 3.13 H new ATOM 0 HA2 GLY A 618 0.061 -6.259 5.614 1.00 63.45 H new ATOM 0 HA3 GLY A 618 -1.688 -6.313 5.510 1.00 63.45 H new ATOM 566 N ILE A 619 -1.099 -4.147 6.840 1.00 75.24 N ATOM 567 CA ILE A 619 -1.222 -3.019 7.732 1.00 31.03 C ATOM 568 C ILE A 619 -2.700 -2.702 7.904 1.00 53.21 C ATOM 569 O ILE A 619 -3.440 -2.703 6.934 1.00 24.32 O ATOM 570 CB ILE A 619 -0.488 -1.773 7.145 1.00 42.33 C ATOM 571 CG1 ILE A 619 0.993 -2.077 6.867 1.00 73.41 C ATOM 572 CG2 ILE A 619 -0.606 -0.576 8.074 1.00 51.23 C ATOM 573 CD1 ILE A 619 1.792 -2.481 8.090 1.00 32.23 C ATOM 0 H ILE A 619 -1.145 -3.899 5.852 1.00 75.24 H new ATOM 0 HA ILE A 619 -0.769 -3.264 8.692 1.00 31.03 H new ATOM 0 HB ILE A 619 -0.974 -1.529 6.201 1.00 42.33 H new ATOM 0 HG12 ILE A 619 1.054 -2.876 6.128 1.00 73.41 H new ATOM 0 HG13 ILE A 619 1.454 -1.195 6.422 1.00 73.41 H new ATOM 0 HG21 ILE A 619 -0.085 0.276 7.638 1.00 51.23 H new ATOM 0 HG22 ILE A 619 -1.658 -0.326 8.213 1.00 51.23 H new ATOM 0 HG23 ILE A 619 -0.160 -0.819 9.039 1.00 51.23 H new ATOM 0 HD11 ILE A 619 2.825 -2.677 7.802 1.00 32.23 H new ATOM 0 HD12 ILE A 619 1.766 -1.675 8.824 1.00 32.23 H new ATOM 0 HD13 ILE A 619 1.360 -3.382 8.525 1.00 32.23 H new ATOM 585 N PHE A 620 -3.118 -2.462 9.110 1.00 42.51 N ATOM 586 CA PHE A 620 -4.498 -2.151 9.404 1.00 20.44 C ATOM 587 C PHE A 620 -4.580 -0.851 10.181 1.00 4.40 C ATOM 588 O PHE A 620 -3.680 -0.532 10.968 1.00 21.42 O ATOM 589 CB PHE A 620 -5.135 -3.248 10.264 1.00 13.03 C ATOM 590 CG PHE A 620 -5.183 -4.622 9.668 1.00 72.24 C ATOM 591 CD1 PHE A 620 -4.132 -5.516 9.863 1.00 53.14 C ATOM 592 CD2 PHE A 620 -6.291 -5.038 8.940 1.00 3.31 C ATOM 593 CE1 PHE A 620 -4.191 -6.791 9.340 1.00 21.22 C ATOM 594 CE2 PHE A 620 -6.352 -6.316 8.424 1.00 64.34 C ATOM 595 CZ PHE A 620 -5.302 -7.192 8.621 1.00 12.53 C ATOM 0 H PHE A 620 -2.511 -2.475 9.930 1.00 42.51 H new ATOM 0 HA PHE A 620 -5.028 -2.070 8.455 1.00 20.44 H new ATOM 0 HB2 PHE A 620 -4.589 -3.304 11.206 1.00 13.03 H new ATOM 0 HB3 PHE A 620 -6.154 -2.945 10.504 1.00 13.03 H new ATOM 0 HD1 PHE A 620 -3.265 -5.208 10.428 1.00 53.14 H new ATOM 0 HD2 PHE A 620 -7.112 -4.355 8.777 1.00 3.31 H new ATOM 0 HE1 PHE A 620 -3.370 -7.476 9.492 1.00 21.22 H new ATOM 0 HE2 PHE A 620 -7.221 -6.632 7.866 1.00 64.34 H new ATOM 0 HZ PHE A 620 -5.349 -8.191 8.213 1.00 12.53 H new ATOM 605 N VAL A 621 -5.620 -0.093 9.939 1.00 50.04 N ATOM 606 CA VAL A 621 -5.888 1.106 10.715 1.00 71.40 C ATOM 607 C VAL A 621 -6.262 0.721 12.152 1.00 24.00 C ATOM 608 O VAL A 621 -7.053 -0.195 12.376 1.00 4.10 O ATOM 609 CB VAL A 621 -7.033 1.949 10.093 1.00 22.41 C ATOM 610 CG1 VAL A 621 -7.270 3.219 10.893 1.00 74.23 C ATOM 611 CG2 VAL A 621 -6.716 2.292 8.652 1.00 52.53 C ATOM 0 H VAL A 621 -6.304 -0.282 9.206 1.00 50.04 H new ATOM 0 HA VAL A 621 -4.982 1.712 10.713 1.00 71.40 H new ATOM 0 HB VAL A 621 -7.944 1.351 10.121 1.00 22.41 H new ATOM 0 HG11 VAL A 621 -8.077 3.792 10.436 1.00 74.23 H new ATOM 0 HG12 VAL A 621 -7.543 2.959 11.916 1.00 74.23 H new ATOM 0 HG13 VAL A 621 -6.360 3.819 10.902 1.00 74.23 H new ATOM 0 HG21 VAL A 621 -7.529 2.883 8.231 1.00 52.53 H new ATOM 0 HG22 VAL A 621 -5.790 2.866 8.610 1.00 52.53 H new ATOM 0 HG23 VAL A 621 -6.600 1.374 8.077 1.00 52.53 H new ATOM 621 N LYS A 622 -5.675 1.392 13.097 1.00 3.35 N ATOM 622 CA LYS A 622 -5.928 1.146 14.518 1.00 3.15 C ATOM 623 C LYS A 622 -6.741 2.272 15.141 1.00 35.41 C ATOM 624 O LYS A 622 -7.667 2.032 15.925 1.00 13.54 O ATOM 625 CB LYS A 622 -4.591 0.955 15.261 1.00 61.30 C ATOM 626 CG LYS A 622 -3.554 1.964 14.831 1.00 14.21 C ATOM 627 CD LYS A 622 -2.195 1.848 15.497 1.00 61.55 C ATOM 628 CE LYS A 622 -2.107 2.582 16.853 1.00 45.50 C ATOM 629 NZ LYS A 622 -2.964 2.015 17.905 1.00 42.13 N ATOM 0 H LYS A 622 -4.999 2.135 12.921 1.00 3.35 H new ATOM 0 HA LYS A 622 -6.517 0.234 14.610 1.00 3.15 H new ATOM 0 HB2 LYS A 622 -4.758 1.042 16.335 1.00 61.30 H new ATOM 0 HB3 LYS A 622 -4.215 -0.051 15.077 1.00 61.30 H new ATOM 0 HG2 LYS A 622 -3.417 1.877 13.753 1.00 14.21 H new ATOM 0 HG3 LYS A 622 -3.946 2.963 15.023 1.00 14.21 H new ATOM 0 HD2 LYS A 622 -1.962 0.794 15.648 1.00 61.55 H new ATOM 0 HD3 LYS A 622 -1.435 2.249 14.826 1.00 61.55 H new ATOM 0 HE2 LYS A 622 -1.072 2.565 17.195 1.00 45.50 H new ATOM 0 HE3 LYS A 622 -2.377 3.628 16.705 1.00 45.50 H new ATOM 0 HZ1 LYS A 622 -2.578 2.262 18.838 1.00 42.13 H new ATOM 0 HZ2 LYS A 622 -3.926 2.401 17.815 1.00 42.13 H new ATOM 0 HZ3 LYS A 622 -2.996 0.980 17.807 1.00 42.13 H new ATOM 643 N SER A 623 -6.398 3.483 14.800 1.00 5.03 N ATOM 644 CA SER A 623 -7.053 4.641 15.335 1.00 20.32 C ATOM 645 C SER A 623 -7.047 5.793 14.342 1.00 3.24 C ATOM 646 O SER A 623 -6.063 5.997 13.622 1.00 42.30 O ATOM 647 CB SER A 623 -6.402 5.036 16.673 1.00 11.30 C ATOM 648 OG SER A 623 -4.985 5.104 16.548 1.00 15.14 O ATOM 0 H SER A 623 -5.651 3.694 14.138 1.00 5.03 H new ATOM 0 HA SER A 623 -8.099 4.397 15.521 1.00 20.32 H new ATOM 0 HB2 SER A 623 -6.789 6.001 16.999 1.00 11.30 H new ATOM 0 HB3 SER A 623 -6.669 4.309 17.440 1.00 11.30 H new ATOM 0 HG SER A 623 -4.723 6.011 16.285 1.00 15.14 H new ATOM 654 N ILE A 624 -8.144 6.503 14.271 1.00 55.43 N ATOM 655 CA ILE A 624 -8.245 7.678 13.448 1.00 53.43 C ATOM 656 C ILE A 624 -8.001 8.898 14.302 1.00 50.43 C ATOM 657 O ILE A 624 -8.585 9.036 15.380 1.00 50.41 O ATOM 658 CB ILE A 624 -9.645 7.801 12.731 1.00 42.24 C ATOM 659 CG1 ILE A 624 -9.840 6.720 11.658 1.00 62.41 C ATOM 660 CG2 ILE A 624 -9.846 9.181 12.108 1.00 44.55 C ATOM 661 CD1 ILE A 624 -9.936 5.302 12.160 1.00 62.21 C ATOM 0 H ILE A 624 -8.996 6.280 14.786 1.00 55.43 H new ATOM 0 HA ILE A 624 -7.493 7.598 12.663 1.00 53.43 H new ATOM 0 HB ILE A 624 -10.395 7.656 13.509 1.00 42.24 H new ATOM 0 HG12 ILE A 624 -10.748 6.949 11.100 1.00 62.41 H new ATOM 0 HG13 ILE A 624 -9.010 6.780 10.954 1.00 62.41 H new ATOM 0 HG21 ILE A 624 -10.822 9.223 11.625 1.00 44.55 H new ATOM 0 HG22 ILE A 624 -9.793 9.943 12.886 1.00 44.55 H new ATOM 0 HG23 ILE A 624 -9.067 9.363 11.368 1.00 44.55 H new ATOM 0 HD11 ILE A 624 -10.072 4.626 11.316 1.00 62.21 H new ATOM 0 HD12 ILE A 624 -9.020 5.041 12.690 1.00 62.21 H new ATOM 0 HD13 ILE A 624 -10.785 5.213 12.838 1.00 62.21 H new ATOM 673 N ILE A 625 -7.141 9.754 13.848 1.00 44.03 N ATOM 674 CA ILE A 625 -6.857 10.971 14.562 1.00 11.42 C ATOM 675 C ILE A 625 -7.851 12.023 14.103 1.00 3.13 C ATOM 676 O ILE A 625 -7.833 12.453 12.942 1.00 12.04 O ATOM 677 CB ILE A 625 -5.389 11.453 14.327 1.00 53.24 C ATOM 678 CG1 ILE A 625 -4.407 10.372 14.822 1.00 20.14 C ATOM 679 CG2 ILE A 625 -5.131 12.779 15.043 1.00 51.34 C ATOM 680 CD1 ILE A 625 -2.945 10.696 14.572 1.00 72.31 C ATOM 0 H ILE A 625 -6.617 9.637 12.981 1.00 44.03 H new ATOM 0 HA ILE A 625 -6.956 10.795 15.633 1.00 11.42 H new ATOM 0 HB ILE A 625 -5.237 11.614 13.260 1.00 53.24 H new ATOM 0 HG12 ILE A 625 -4.557 10.224 15.891 1.00 20.14 H new ATOM 0 HG13 ILE A 625 -4.647 9.428 14.333 1.00 20.14 H new ATOM 0 HG21 ILE A 625 -4.103 13.095 14.865 1.00 51.34 H new ATOM 0 HG22 ILE A 625 -5.815 13.537 14.662 1.00 51.34 H new ATOM 0 HG23 ILE A 625 -5.291 12.652 16.114 1.00 51.34 H new ATOM 0 HD11 ILE A 625 -2.323 9.885 14.950 1.00 72.31 H new ATOM 0 HD12 ILE A 625 -2.776 10.814 13.502 1.00 72.31 H new ATOM 0 HD13 ILE A 625 -2.685 11.622 15.085 1.00 72.31 H new ATOM 692 N ASN A 626 -8.718 12.413 15.006 1.00 21.31 N ATOM 693 CA ASN A 626 -9.796 13.345 14.714 1.00 74.12 C ATOM 694 C ASN A 626 -9.263 14.708 14.366 1.00 4.23 C ATOM 695 O ASN A 626 -8.586 15.343 15.167 1.00 22.24 O ATOM 696 CB ASN A 626 -10.787 13.444 15.890 1.00 45.44 C ATOM 697 CG ASN A 626 -11.520 12.140 16.175 1.00 52.52 C ATOM 698 OD1 ASN A 626 -12.584 11.878 15.615 1.00 51.55 O ATOM 699 ND2 ASN A 626 -10.973 11.326 17.052 1.00 1.23 N ATOM 0 H ASN A 626 -8.701 12.093 15.974 1.00 21.31 H new ATOM 0 HA ASN A 626 -10.331 12.955 13.848 1.00 74.12 H new ATOM 0 HB2 ASN A 626 -10.247 13.752 16.785 1.00 45.44 H new ATOM 0 HB3 ASN A 626 -11.518 14.223 15.675 1.00 45.44 H new ATOM 0 HD21 ASN A 626 -11.432 10.446 17.287 1.00 1.23 H new ATOM 0 HD22 ASN A 626 -10.090 11.575 17.497 1.00 1.23 H new ATOM 706 N GLY A 627 -9.551 15.146 13.170 1.00 70.40 N ATOM 707 CA GLY A 627 -9.105 16.446 12.750 1.00 34.11 C ATOM 708 C GLY A 627 -8.095 16.369 11.647 1.00 62.12 C ATOM 709 O GLY A 627 -7.806 17.380 10.988 1.00 13.34 O ATOM 0 H GLY A 627 -10.088 14.627 12.475 1.00 70.40 H new ATOM 0 HA2 GLY A 627 -9.961 17.031 12.416 1.00 34.11 H new ATOM 0 HA3 GLY A 627 -8.672 16.972 13.601 1.00 34.11 H new ATOM 713 N GLY A 628 -7.544 15.185 11.445 1.00 13.30 N ATOM 714 CA GLY A 628 -6.601 14.985 10.377 1.00 22.32 C ATOM 715 C GLY A 628 -7.279 15.066 9.024 1.00 30.13 C ATOM 716 O GLY A 628 -8.513 14.993 8.932 1.00 61.33 O ATOM 0 H GLY A 628 -7.737 14.356 12.007 1.00 13.30 H new ATOM 0 HA2 GLY A 628 -5.814 15.737 10.438 1.00 22.32 H new ATOM 0 HA3 GLY A 628 -6.122 14.012 10.489 1.00 22.32 H new ATOM 720 N ALA A 629 -6.504 15.195 7.983 1.00 73.02 N ATOM 721 CA ALA A 629 -7.052 15.320 6.643 1.00 13.31 C ATOM 722 C ALA A 629 -7.764 14.039 6.212 1.00 21.13 C ATOM 723 O ALA A 629 -8.824 14.086 5.588 1.00 32.21 O ATOM 724 CB ALA A 629 -5.972 15.729 5.662 1.00 62.44 C ATOM 0 H ALA A 629 -5.485 15.217 8.028 1.00 73.02 H new ATOM 0 HA ALA A 629 -7.804 16.109 6.652 1.00 13.31 H new ATOM 0 HB1 ALA A 629 -6.401 15.817 4.664 1.00 62.44 H new ATOM 0 HB2 ALA A 629 -5.552 16.689 5.963 1.00 62.44 H new ATOM 0 HB3 ALA A 629 -5.185 14.975 5.653 1.00 62.44 H new ATOM 730 N ALA A 630 -7.198 12.896 6.578 1.00 2.41 N ATOM 731 CA ALA A 630 -7.809 11.602 6.279 1.00 74.23 C ATOM 732 C ALA A 630 -9.029 11.411 7.121 1.00 34.21 C ATOM 733 O ALA A 630 -9.941 10.685 6.761 1.00 22.51 O ATOM 734 CB ALA A 630 -6.837 10.473 6.518 1.00 31.33 C ATOM 0 H ALA A 630 -6.314 12.836 7.084 1.00 2.41 H new ATOM 0 HA ALA A 630 -8.089 11.592 5.226 1.00 74.23 H new ATOM 0 HB1 ALA A 630 -7.319 9.523 6.287 1.00 31.33 H new ATOM 0 HB2 ALA A 630 -5.965 10.602 5.877 1.00 31.33 H new ATOM 0 HB3 ALA A 630 -6.524 10.477 7.562 1.00 31.33 H new ATOM 740 N SER A 631 -9.031 12.064 8.235 1.00 11.15 N ATOM 741 CA SER A 631 -10.137 12.009 9.151 1.00 4.23 C ATOM 742 C SER A 631 -11.323 12.774 8.569 1.00 22.31 C ATOM 743 O SER A 631 -12.443 12.262 8.525 1.00 3.42 O ATOM 744 CB SER A 631 -9.719 12.601 10.510 1.00 23.33 C ATOM 745 OG SER A 631 -10.777 12.601 11.455 1.00 24.14 O ATOM 0 H SER A 631 -8.262 12.658 8.544 1.00 11.15 H new ATOM 0 HA SER A 631 -10.434 10.971 9.304 1.00 4.23 H new ATOM 0 HB2 SER A 631 -8.881 12.029 10.909 1.00 23.33 H new ATOM 0 HB3 SER A 631 -9.367 13.622 10.364 1.00 23.33 H new ATOM 0 HG SER A 631 -11.276 13.441 11.387 1.00 24.14 H new ATOM 751 N LYS A 632 -11.068 13.990 8.109 1.00 33.35 N ATOM 752 CA LYS A 632 -12.122 14.829 7.581 1.00 24.12 C ATOM 753 C LYS A 632 -12.574 14.384 6.191 1.00 33.30 C ATOM 754 O LYS A 632 -13.758 14.167 5.964 1.00 61.33 O ATOM 755 CB LYS A 632 -11.638 16.281 7.524 1.00 1.04 C ATOM 756 CG LYS A 632 -11.254 16.887 8.879 1.00 75.00 C ATOM 757 CD LYS A 632 -12.445 17.031 9.830 1.00 2.13 C ATOM 758 CE LYS A 632 -13.512 17.977 9.269 1.00 31.43 C ATOM 759 NZ LYS A 632 -12.978 19.338 9.008 1.00 33.43 N ATOM 0 H LYS A 632 -10.140 14.413 8.093 1.00 33.35 H new ATOM 0 HA LYS A 632 -12.980 14.741 8.248 1.00 24.12 H new ATOM 0 HB2 LYS A 632 -10.775 16.335 6.860 1.00 1.04 H new ATOM 0 HB3 LYS A 632 -12.422 16.893 7.078 1.00 1.04 H new ATOM 0 HG2 LYS A 632 -10.495 16.261 9.349 1.00 75.00 H new ATOM 0 HG3 LYS A 632 -10.804 17.867 8.718 1.00 75.00 H new ATOM 0 HD2 LYS A 632 -12.887 16.051 10.010 1.00 2.13 H new ATOM 0 HD3 LYS A 632 -12.098 17.405 10.793 1.00 2.13 H new ATOM 0 HE2 LYS A 632 -13.912 17.562 8.344 1.00 31.43 H new ATOM 0 HE3 LYS A 632 -14.342 18.043 9.973 1.00 31.43 H new ATOM 0 HZ1 LYS A 632 -13.765 19.988 8.810 1.00 33.43 H new ATOM 0 HZ2 LYS A 632 -12.456 19.672 9.843 1.00 33.43 H new ATOM 0 HZ3 LYS A 632 -12.338 19.309 8.188 1.00 33.43 H new ATOM 773 N ASP A 633 -11.633 14.243 5.274 1.00 0.42 N ATOM 774 CA ASP A 633 -11.970 13.887 3.893 1.00 10.03 C ATOM 775 C ASP A 633 -12.222 12.400 3.720 1.00 22.31 C ATOM 776 O ASP A 633 -13.268 11.984 3.212 1.00 52.31 O ATOM 777 CB ASP A 633 -10.870 14.337 2.920 1.00 74.12 C ATOM 778 CG ASP A 633 -11.242 14.091 1.463 1.00 44.42 C ATOM 779 OD1 ASP A 633 -11.142 12.953 0.991 1.00 35.24 O ATOM 780 OD2 ASP A 633 -11.632 15.060 0.759 1.00 14.34 O ATOM 0 H ASP A 633 -10.636 14.367 5.451 1.00 0.42 H new ATOM 0 HA ASP A 633 -12.896 14.414 3.662 1.00 10.03 H new ATOM 0 HB2 ASP A 633 -10.672 15.399 3.067 1.00 74.12 H new ATOM 0 HB3 ASP A 633 -9.946 13.806 3.150 1.00 74.12 H new ATOM 785 N GLY A 634 -11.270 11.601 4.174 1.00 1.14 N ATOM 786 CA GLY A 634 -11.328 10.174 3.931 1.00 41.41 C ATOM 787 C GLY A 634 -12.374 9.473 4.747 1.00 63.14 C ATOM 788 O GLY A 634 -13.104 8.634 4.219 1.00 4.42 O ATOM 0 H GLY A 634 -10.458 11.914 4.706 1.00 1.14 H new ATOM 0 HA2 GLY A 634 -11.526 10.001 2.873 1.00 41.41 H new ATOM 0 HA3 GLY A 634 -10.354 9.736 4.149 1.00 41.41 H new ATOM 792 N ARG A 635 -12.462 9.822 6.041 1.00 64.24 N ATOM 793 CA ARG A 635 -13.481 9.260 6.937 1.00 43.10 C ATOM 794 C ARG A 635 -13.394 7.727 7.012 1.00 63.03 C ATOM 795 O ARG A 635 -14.415 7.031 7.150 1.00 52.45 O ATOM 796 CB ARG A 635 -14.851 9.725 6.469 1.00 30.20 C ATOM 797 CG ARG A 635 -15.094 11.199 6.711 1.00 41.21 C ATOM 798 CD ARG A 635 -16.239 11.701 5.881 1.00 13.45 C ATOM 799 NE ARG A 635 -15.877 11.673 4.462 1.00 2.15 N ATOM 800 CZ ARG A 635 -16.620 12.149 3.457 1.00 45.51 C ATOM 801 NH1 ARG A 635 -17.843 12.632 3.688 1.00 43.12 N ATOM 802 NH2 ARG A 635 -16.129 12.144 2.218 1.00 72.05 N ATOM 0 H ARG A 635 -11.837 10.492 6.489 1.00 64.24 H new ATOM 0 HA ARG A 635 -13.305 9.620 7.951 1.00 43.10 H new ATOM 0 HB2 ARG A 635 -14.954 9.516 5.404 1.00 30.20 H new ATOM 0 HB3 ARG A 635 -15.619 9.147 6.983 1.00 30.20 H new ATOM 0 HG2 ARG A 635 -15.305 11.367 7.767 1.00 41.21 H new ATOM 0 HG3 ARG A 635 -14.193 11.763 6.472 1.00 41.21 H new ATOM 0 HD2 ARG A 635 -17.121 11.084 6.052 1.00 13.45 H new ATOM 0 HD3 ARG A 635 -16.498 12.717 6.179 1.00 13.45 H new ATOM 0 HE ARG A 635 -14.979 11.254 4.219 1.00 2.15 H new ATOM 0 HH11 ARG A 635 -18.217 12.640 4.637 1.00 43.12 H new ATOM 0 HH12 ARG A 635 -18.403 12.993 2.916 1.00 43.12 H new ATOM 0 HH21 ARG A 635 -15.193 11.779 2.042 1.00 72.05 H new ATOM 0 HH22 ARG A 635 -16.689 12.505 1.446 1.00 72.05 H new ATOM 816 N LEU A 636 -12.165 7.221 6.977 1.00 60.42 N ATOM 817 CA LEU A 636 -11.896 5.766 7.060 1.00 14.41 C ATOM 818 C LEU A 636 -12.327 5.182 8.398 1.00 53.33 C ATOM 819 O LEU A 636 -12.741 5.907 9.337 1.00 60.25 O ATOM 820 CB LEU A 636 -10.400 5.394 6.835 1.00 20.42 C ATOM 821 CG LEU A 636 -9.763 5.705 5.479 1.00 62.34 C ATOM 822 CD1 LEU A 636 -9.581 7.183 5.284 1.00 64.22 C ATOM 823 CD2 LEU A 636 -8.446 4.957 5.313 1.00 61.53 C ATOM 0 H LEU A 636 -11.325 7.793 6.891 1.00 60.42 H new ATOM 0 HA LEU A 636 -12.487 5.337 6.251 1.00 14.41 H new ATOM 0 HB2 LEU A 636 -9.814 5.903 7.600 1.00 20.42 H new ATOM 0 HB3 LEU A 636 -10.295 4.324 7.012 1.00 20.42 H new ATOM 0 HG LEU A 636 -10.445 5.358 4.703 1.00 62.34 H new ATOM 0 HD11 LEU A 636 -9.126 7.368 4.311 1.00 64.22 H new ATOM 0 HD12 LEU A 636 -10.551 7.678 5.332 1.00 64.22 H new ATOM 0 HD13 LEU A 636 -8.934 7.576 6.068 1.00 64.22 H new ATOM 0 HD21 LEU A 636 -8.013 5.194 4.341 1.00 61.53 H new ATOM 0 HD22 LEU A 636 -7.755 5.257 6.101 1.00 61.53 H new ATOM 0 HD23 LEU A 636 -8.626 3.884 5.377 1.00 61.53 H new ATOM 835 N ARG A 637 -12.198 3.895 8.502 1.00 12.41 N ATOM 836 CA ARG A 637 -12.592 3.189 9.708 1.00 64.33 C ATOM 837 C ARG A 637 -11.377 2.560 10.347 1.00 25.51 C ATOM 838 O ARG A 637 -10.297 2.513 9.755 1.00 52.30 O ATOM 839 CB ARG A 637 -13.567 2.047 9.392 1.00 30.33 C ATOM 840 CG ARG A 637 -12.938 0.996 8.545 1.00 12.45 C ATOM 841 CD ARG A 637 -13.770 -0.234 8.383 1.00 2.21 C ATOM 842 NE ARG A 637 -13.027 -1.194 7.579 1.00 62.22 N ATOM 843 CZ ARG A 637 -12.830 -2.470 7.878 1.00 71.12 C ATOM 844 NH1 ARG A 637 -13.390 -3.008 8.961 1.00 24.10 N ATOM 845 NH2 ARG A 637 -12.054 -3.203 7.092 1.00 70.10 N ATOM 0 H ARG A 637 -11.821 3.298 7.766 1.00 12.41 H new ATOM 0 HA ARG A 637 -13.066 3.915 10.368 1.00 64.33 H new ATOM 0 HB2 ARG A 637 -13.917 1.601 10.323 1.00 30.33 H new ATOM 0 HB3 ARG A 637 -14.443 2.448 8.882 1.00 30.33 H new ATOM 0 HG2 ARG A 637 -12.731 1.414 7.560 1.00 12.45 H new ATOM 0 HG3 ARG A 637 -11.979 0.718 8.982 1.00 12.45 H new ATOM 0 HD2 ARG A 637 -14.008 -0.661 9.357 1.00 2.21 H new ATOM 0 HD3 ARG A 637 -14.717 0.010 7.902 1.00 2.21 H new ATOM 0 HE ARG A 637 -12.622 -0.854 6.707 1.00 62.22 H new ATOM 0 HH11 ARG A 637 -13.977 -2.437 9.569 1.00 24.10 H new ATOM 0 HH12 ARG A 637 -13.232 -3.991 9.182 1.00 24.10 H new ATOM 0 HH21 ARG A 637 -11.618 -2.783 6.271 1.00 70.10 H new ATOM 0 HH22 ARG A 637 -11.892 -4.187 7.309 1.00 70.10 H new ATOM 859 N VAL A 638 -11.559 2.084 11.544 1.00 41.52 N ATOM 860 CA VAL A 638 -10.571 1.270 12.190 1.00 1.02 C ATOM 861 C VAL A 638 -10.650 -0.114 11.535 1.00 30.43 C ATOM 862 O VAL A 638 -11.730 -0.521 11.107 1.00 72.44 O ATOM 863 CB VAL A 638 -10.869 1.144 13.720 1.00 4.22 C ATOM 864 CG1 VAL A 638 -9.874 0.222 14.416 1.00 15.24 C ATOM 865 CG2 VAL A 638 -10.863 2.514 14.383 1.00 61.34 C ATOM 0 H VAL A 638 -12.398 2.249 12.101 1.00 41.52 H new ATOM 0 HA VAL A 638 -9.580 1.712 12.083 1.00 1.02 H new ATOM 0 HB VAL A 638 -11.861 0.704 13.821 1.00 4.22 H new ATOM 0 HG11 VAL A 638 -10.115 0.161 15.477 1.00 15.24 H new ATOM 0 HG12 VAL A 638 -9.929 -0.773 13.974 1.00 15.24 H new ATOM 0 HG13 VAL A 638 -8.866 0.618 14.295 1.00 15.24 H new ATOM 0 HG21 VAL A 638 -11.072 2.404 15.447 1.00 61.34 H new ATOM 0 HG22 VAL A 638 -9.885 2.978 14.251 1.00 61.34 H new ATOM 0 HG23 VAL A 638 -11.627 3.143 13.926 1.00 61.34 H new ATOM 875 N ASN A 639 -9.514 -0.791 11.418 1.00 3.11 N ATOM 876 CA ASN A 639 -9.430 -2.159 10.858 1.00 50.41 C ATOM 877 C ASN A 639 -9.350 -2.199 9.307 1.00 42.53 C ATOM 878 O ASN A 639 -9.234 -3.278 8.716 1.00 31.22 O ATOM 879 CB ASN A 639 -10.523 -3.113 11.473 1.00 53.23 C ATOM 880 CG ASN A 639 -10.496 -4.563 10.982 1.00 3.23 C ATOM 881 OD1 ASN A 639 -11.188 -4.925 10.021 1.00 71.24 O ATOM 882 ND2 ASN A 639 -9.706 -5.395 11.630 1.00 12.33 N ATOM 0 H ASN A 639 -8.611 -0.414 11.708 1.00 3.11 H new ATOM 0 HA ASN A 639 -8.468 -2.562 11.174 1.00 50.41 H new ATOM 0 HB2 ASN A 639 -10.408 -3.114 12.557 1.00 53.23 H new ATOM 0 HB3 ASN A 639 -11.506 -2.695 11.257 1.00 53.23 H new ATOM 0 HD21 ASN A 639 -9.650 -6.373 11.344 1.00 12.33 H new ATOM 0 HD22 ASN A 639 -9.150 -5.061 12.417 1.00 12.33 H new ATOM 889 N ASP A 640 -9.382 -1.022 8.634 1.00 44.01 N ATOM 890 CA ASP A 640 -9.139 -1.030 7.173 1.00 32.10 C ATOM 891 C ASP A 640 -7.725 -1.519 6.883 1.00 54.13 C ATOM 892 O ASP A 640 -6.761 -1.030 7.481 1.00 41.33 O ATOM 893 CB ASP A 640 -9.379 0.326 6.449 1.00 50.42 C ATOM 894 CG ASP A 640 -10.826 0.572 6.042 1.00 62.42 C ATOM 895 OD1 ASP A 640 -11.501 -0.388 5.556 1.00 3.21 O ATOM 896 OD2 ASP A 640 -11.314 1.718 6.157 1.00 44.05 O ATOM 0 H ASP A 640 -9.562 -0.108 9.049 1.00 44.01 H new ATOM 0 HA ASP A 640 -9.886 -1.712 6.767 1.00 32.10 H new ATOM 0 HB2 ASP A 640 -9.055 1.136 7.103 1.00 50.42 H new ATOM 0 HB3 ASP A 640 -8.752 0.365 5.558 1.00 50.42 H new ATOM 901 N GLN A 641 -7.603 -2.499 6.009 1.00 33.25 N ATOM 902 CA GLN A 641 -6.310 -3.075 5.671 1.00 63.34 C ATOM 903 C GLN A 641 -5.697 -2.270 4.502 1.00 12.23 C ATOM 904 O GLN A 641 -6.250 -2.235 3.415 1.00 44.22 O ATOM 905 CB GLN A 641 -6.516 -4.579 5.310 1.00 70.41 C ATOM 906 CG GLN A 641 -5.262 -5.488 5.337 1.00 20.33 C ATOM 907 CD GLN A 641 -4.224 -5.217 4.279 1.00 2.45 C ATOM 908 OE1 GLN A 641 -4.262 -5.791 3.204 1.00 75.14 O ATOM 909 NE2 GLN A 641 -3.294 -4.367 4.582 1.00 33.25 N ATOM 0 H GLN A 641 -8.390 -2.918 5.514 1.00 33.25 H new ATOM 0 HA GLN A 641 -5.617 -3.022 6.510 1.00 63.34 H new ATOM 0 HB2 GLN A 641 -7.251 -4.995 5.999 1.00 70.41 H new ATOM 0 HB3 GLN A 641 -6.950 -4.631 4.312 1.00 70.41 H new ATOM 0 HG2 GLN A 641 -4.789 -5.391 6.314 1.00 20.33 H new ATOM 0 HG3 GLN A 641 -5.587 -6.524 5.241 1.00 20.33 H new ATOM 0 HE21 GLN A 641 -3.299 -3.909 5.493 1.00 33.25 H new ATOM 0 HE22 GLN A 641 -2.557 -4.156 3.909 1.00 33.25 H new ATOM 918 N LEU A 642 -4.582 -1.612 4.767 1.00 74.34 N ATOM 919 CA LEU A 642 -3.891 -0.757 3.796 1.00 44.02 C ATOM 920 C LEU A 642 -3.181 -1.573 2.710 1.00 2.13 C ATOM 921 O LEU A 642 -2.254 -2.342 2.985 1.00 3.12 O ATOM 922 CB LEU A 642 -2.911 0.243 4.486 1.00 61.34 C ATOM 923 CG LEU A 642 -3.511 1.358 5.355 1.00 12.51 C ATOM 924 CD1 LEU A 642 -4.207 0.802 6.581 1.00 62.52 C ATOM 925 CD2 LEU A 642 -2.433 2.342 5.757 1.00 42.41 C ATOM 0 H LEU A 642 -4.118 -1.652 5.674 1.00 74.34 H new ATOM 0 HA LEU A 642 -4.663 -0.166 3.303 1.00 44.02 H new ATOM 0 HB2 LEU A 642 -2.228 -0.335 5.109 1.00 61.34 H new ATOM 0 HB3 LEU A 642 -2.311 0.713 3.707 1.00 61.34 H new ATOM 0 HG LEU A 642 -4.263 1.876 4.760 1.00 12.51 H new ATOM 0 HD11 LEU A 642 -4.618 1.622 7.169 1.00 62.52 H new ATOM 0 HD12 LEU A 642 -5.014 0.138 6.271 1.00 62.52 H new ATOM 0 HD13 LEU A 642 -3.490 0.245 7.185 1.00 62.52 H new ATOM 0 HD21 LEU A 642 -2.869 3.128 6.373 1.00 42.41 H new ATOM 0 HD22 LEU A 642 -1.660 1.823 6.325 1.00 42.41 H new ATOM 0 HD23 LEU A 642 -1.992 2.784 4.863 1.00 42.41 H new ATOM 937 N ILE A 643 -3.624 -1.377 1.487 1.00 41.11 N ATOM 938 CA ILE A 643 -3.154 -2.117 0.323 1.00 31.14 C ATOM 939 C ILE A 643 -2.098 -1.331 -0.429 1.00 3.41 C ATOM 940 O ILE A 643 -0.976 -1.810 -0.669 1.00 24.34 O ATOM 941 CB ILE A 643 -4.343 -2.360 -0.647 1.00 72.32 C ATOM 942 CG1 ILE A 643 -5.454 -3.132 0.061 1.00 20.10 C ATOM 943 CG2 ILE A 643 -3.892 -3.101 -1.912 1.00 44.33 C ATOM 944 CD1 ILE A 643 -5.065 -4.537 0.481 1.00 51.20 C ATOM 0 H ILE A 643 -4.338 -0.684 1.263 1.00 41.11 H new ATOM 0 HA ILE A 643 -2.730 -3.059 0.671 1.00 31.14 H new ATOM 0 HB ILE A 643 -4.730 -1.389 -0.954 1.00 72.32 H new ATOM 0 HG12 ILE A 643 -5.763 -2.573 0.944 1.00 20.10 H new ATOM 0 HG13 ILE A 643 -6.319 -3.189 -0.599 1.00 20.10 H new ATOM 0 HG21 ILE A 643 -4.748 -3.255 -2.569 1.00 44.33 H new ATOM 0 HG22 ILE A 643 -3.138 -2.509 -2.431 1.00 44.33 H new ATOM 0 HG23 ILE A 643 -3.468 -4.067 -1.636 1.00 44.33 H new ATOM 0 HD11 ILE A 643 -5.910 -5.016 0.976 1.00 51.20 H new ATOM 0 HD12 ILE A 643 -4.785 -5.116 -0.399 1.00 51.20 H new ATOM 0 HD13 ILE A 643 -4.220 -4.491 1.168 1.00 51.20 H new ATOM 956 N ALA A 644 -2.459 -0.142 -0.812 1.00 30.02 N ATOM 957 CA ALA A 644 -1.604 0.688 -1.604 1.00 12.21 C ATOM 958 C ALA A 644 -1.665 2.108 -1.120 1.00 43.13 C ATOM 959 O ALA A 644 -2.668 2.529 -0.530 1.00 75.42 O ATOM 960 CB ALA A 644 -2.008 0.602 -3.069 1.00 74.14 C ATOM 0 H ALA A 644 -3.359 0.280 -0.582 1.00 30.02 H new ATOM 0 HA ALA A 644 -0.577 0.337 -1.506 1.00 12.21 H new ATOM 0 HB1 ALA A 644 -1.352 1.237 -3.665 1.00 74.14 H new ATOM 0 HB2 ALA A 644 -1.923 -0.430 -3.410 1.00 74.14 H new ATOM 0 HB3 ALA A 644 -3.039 0.937 -3.182 1.00 74.14 H new ATOM 966 N VAL A 645 -0.616 2.844 -1.361 1.00 34.34 N ATOM 967 CA VAL A 645 -0.540 4.201 -0.928 1.00 63.04 C ATOM 968 C VAL A 645 0.098 5.045 -2.039 1.00 0.02 C ATOM 969 O VAL A 645 1.009 4.585 -2.729 1.00 74.31 O ATOM 970 CB VAL A 645 0.288 4.319 0.386 1.00 61.33 C ATOM 971 CG1 VAL A 645 1.768 4.053 0.156 1.00 24.32 C ATOM 972 CG2 VAL A 645 0.057 5.638 1.078 1.00 24.24 C ATOM 0 H VAL A 645 0.208 2.515 -1.864 1.00 34.34 H new ATOM 0 HA VAL A 645 -1.546 4.567 -0.721 1.00 63.04 H new ATOM 0 HB VAL A 645 -0.072 3.538 1.056 1.00 61.33 H new ATOM 0 HG11 VAL A 645 2.305 4.146 1.100 1.00 24.32 H new ATOM 0 HG12 VAL A 645 1.900 3.045 -0.238 1.00 24.32 H new ATOM 0 HG13 VAL A 645 2.161 4.776 -0.558 1.00 24.32 H new ATOM 0 HG21 VAL A 645 0.653 5.680 1.990 1.00 24.24 H new ATOM 0 HG22 VAL A 645 0.350 6.453 0.416 1.00 24.24 H new ATOM 0 HG23 VAL A 645 -0.999 5.737 1.330 1.00 24.24 H new ATOM 982 N ASN A 646 -0.433 6.241 -2.246 1.00 3.13 N ATOM 983 CA ASN A 646 0.061 7.205 -3.252 1.00 10.13 C ATOM 984 C ASN A 646 0.056 6.622 -4.674 1.00 42.41 C ATOM 985 O ASN A 646 0.705 7.139 -5.569 1.00 71.24 O ATOM 986 CB ASN A 646 1.466 7.709 -2.878 1.00 11.34 C ATOM 987 CG ASN A 646 1.494 8.453 -1.551 1.00 41.01 C ATOM 988 OD1 ASN A 646 1.677 7.863 -0.504 1.00 24.34 O ATOM 989 ND2 ASN A 646 1.326 9.744 -1.584 1.00 52.42 N ATOM 0 H ASN A 646 -1.234 6.587 -1.717 1.00 3.13 H new ATOM 0 HA ASN A 646 -0.629 8.049 -3.250 1.00 10.13 H new ATOM 0 HB2 ASN A 646 2.149 6.861 -2.828 1.00 11.34 H new ATOM 0 HB3 ASN A 646 1.832 8.367 -3.666 1.00 11.34 H new ATOM 0 HD21 ASN A 646 1.346 10.283 -0.718 1.00 52.42 H new ATOM 0 HD22 ASN A 646 1.174 10.216 -2.475 1.00 52.42 H new ATOM 996 N GLY A 647 -0.710 5.564 -4.873 1.00 3.12 N ATOM 997 CA GLY A 647 -0.786 4.942 -6.174 1.00 24.22 C ATOM 998 C GLY A 647 0.204 3.801 -6.339 1.00 42.32 C ATOM 999 O GLY A 647 0.350 3.254 -7.435 1.00 42.23 O ATOM 0 H GLY A 647 -1.283 5.123 -4.153 1.00 3.12 H new ATOM 0 HA2 GLY A 647 -1.797 4.566 -6.334 1.00 24.22 H new ATOM 0 HA3 GLY A 647 -0.600 5.693 -6.942 1.00 24.22 H new ATOM 1003 N GLU A 648 0.878 3.445 -5.264 1.00 52.21 N ATOM 1004 CA GLU A 648 1.837 2.361 -5.265 1.00 62.24 C ATOM 1005 C GLU A 648 1.391 1.274 -4.286 1.00 3.21 C ATOM 1006 O GLU A 648 1.013 1.577 -3.161 1.00 32.33 O ATOM 1007 CB GLU A 648 3.225 2.906 -4.919 1.00 24.13 C ATOM 1008 CG GLU A 648 4.307 1.858 -4.845 1.00 72.52 C ATOM 1009 CD GLU A 648 5.679 2.461 -4.738 1.00 41.14 C ATOM 1010 OE1 GLU A 648 6.212 2.923 -5.777 1.00 34.24 O ATOM 1011 OE2 GLU A 648 6.266 2.464 -3.638 1.00 21.20 O ATOM 0 H GLU A 648 0.774 3.904 -4.359 1.00 52.21 H new ATOM 0 HA GLU A 648 1.891 1.910 -6.256 1.00 62.24 H new ATOM 0 HB2 GLU A 648 3.506 3.649 -5.665 1.00 24.13 H new ATOM 0 HB3 GLU A 648 3.170 3.422 -3.961 1.00 24.13 H new ATOM 0 HG2 GLU A 648 4.128 1.214 -3.984 1.00 72.52 H new ATOM 0 HG3 GLU A 648 4.259 1.226 -5.732 1.00 72.52 H new ATOM 1018 N SER A 649 1.432 0.026 -4.718 1.00 44.03 N ATOM 1019 CA SER A 649 0.941 -1.086 -3.920 1.00 2.11 C ATOM 1020 C SER A 649 2.010 -1.679 -3.006 1.00 72.34 C ATOM 1021 O SER A 649 3.160 -1.871 -3.402 1.00 43.21 O ATOM 1022 CB SER A 649 0.358 -2.164 -4.819 1.00 32.11 C ATOM 1023 OG SER A 649 -0.733 -1.657 -5.571 1.00 73.12 O ATOM 0 H SER A 649 1.805 -0.246 -5.628 1.00 44.03 H new ATOM 0 HA SER A 649 0.159 -0.688 -3.273 1.00 2.11 H new ATOM 0 HB2 SER A 649 1.128 -2.537 -5.494 1.00 32.11 H new ATOM 0 HB3 SER A 649 0.028 -3.009 -4.214 1.00 32.11 H new ATOM 0 HG SER A 649 -1.093 -2.366 -6.144 1.00 73.12 H new ATOM 1029 N LEU A 650 1.613 -1.962 -1.781 1.00 22.05 N ATOM 1030 CA LEU A 650 2.501 -2.541 -0.786 1.00 32.31 C ATOM 1031 C LEU A 650 2.130 -3.965 -0.509 1.00 50.20 C ATOM 1032 O LEU A 650 2.893 -4.692 0.123 1.00 72.41 O ATOM 1033 CB LEU A 650 2.447 -1.764 0.536 1.00 45.41 C ATOM 1034 CG LEU A 650 3.067 -0.361 0.578 1.00 24.44 C ATOM 1035 CD1 LEU A 650 2.415 0.595 -0.390 1.00 60.22 C ATOM 1036 CD2 LEU A 650 2.973 0.186 1.969 1.00 24.24 C ATOM 0 H LEU A 650 0.664 -1.798 -1.445 1.00 22.05 H new ATOM 0 HA LEU A 650 3.510 -2.489 -1.195 1.00 32.31 H new ATOM 0 HB2 LEU A 650 1.400 -1.674 0.827 1.00 45.41 H new ATOM 0 HB3 LEU A 650 2.939 -2.368 1.298 1.00 45.41 H new ATOM 0 HG LEU A 650 4.110 -0.459 0.277 1.00 24.44 H new ATOM 0 HD11 LEU A 650 2.895 1.571 -0.316 1.00 60.22 H new ATOM 0 HD12 LEU A 650 2.522 0.214 -1.406 1.00 60.22 H new ATOM 0 HD13 LEU A 650 1.356 0.692 -0.149 1.00 60.22 H new ATOM 0 HD21 LEU A 650 3.413 1.183 1.999 1.00 24.24 H new ATOM 0 HD22 LEU A 650 1.926 0.243 2.268 1.00 24.24 H new ATOM 0 HD23 LEU A 650 3.511 -0.469 2.655 1.00 24.24 H new ATOM 1048 N LEU A 651 0.954 -4.352 -0.974 1.00 53.33 N ATOM 1049 CA LEU A 651 0.424 -5.684 -0.753 1.00 73.02 C ATOM 1050 C LEU A 651 1.384 -6.745 -1.298 1.00 52.22 C ATOM 1051 O LEU A 651 1.452 -6.992 -2.516 1.00 73.32 O ATOM 1052 CB LEU A 651 -0.964 -5.819 -1.397 1.00 40.21 C ATOM 1053 CG LEU A 651 -1.698 -7.142 -1.159 1.00 62.01 C ATOM 1054 CD1 LEU A 651 -1.991 -7.345 0.320 1.00 72.04 C ATOM 1055 CD2 LEU A 651 -2.976 -7.204 -1.980 1.00 3.44 C ATOM 0 H LEU A 651 0.338 -3.747 -1.518 1.00 53.33 H new ATOM 0 HA LEU A 651 0.321 -5.843 0.320 1.00 73.02 H new ATOM 0 HB2 LEU A 651 -1.592 -5.008 -1.028 1.00 40.21 H new ATOM 0 HB3 LEU A 651 -0.857 -5.676 -2.472 1.00 40.21 H new ATOM 0 HG LEU A 651 -1.046 -7.953 -1.484 1.00 62.01 H new ATOM 0 HD11 LEU A 651 -2.513 -8.292 0.461 1.00 72.04 H new ATOM 0 HD12 LEU A 651 -1.055 -7.360 0.878 1.00 72.04 H new ATOM 0 HD13 LEU A 651 -2.616 -6.529 0.682 1.00 72.04 H new ATOM 0 HD21 LEU A 651 -3.481 -8.152 -1.796 1.00 3.44 H new ATOM 0 HD22 LEU A 651 -3.632 -6.382 -1.695 1.00 3.44 H new ATOM 0 HD23 LEU A 651 -2.732 -7.123 -3.039 1.00 3.44 H new ATOM 1067 N GLY A 652 2.144 -7.321 -0.409 1.00 30.34 N ATOM 1068 CA GLY A 652 3.108 -8.319 -0.780 1.00 41.32 C ATOM 1069 C GLY A 652 4.367 -8.210 0.046 1.00 5.34 C ATOM 1070 O GLY A 652 5.094 -9.197 0.229 1.00 50.31 O ATOM 0 H GLY A 652 2.113 -7.113 0.589 1.00 30.34 H new ATOM 0 HA2 GLY A 652 2.673 -9.310 -0.653 1.00 41.32 H new ATOM 0 HA3 GLY A 652 3.355 -8.212 -1.836 1.00 41.32 H new ATOM 1074 N LYS A 653 4.638 -7.018 0.551 1.00 43.54 N ATOM 1075 CA LYS A 653 5.815 -6.814 1.371 1.00 74.12 C ATOM 1076 C LYS A 653 5.446 -6.888 2.847 1.00 34.44 C ATOM 1077 O LYS A 653 4.284 -6.697 3.204 1.00 53.40 O ATOM 1078 CB LYS A 653 6.530 -5.487 1.037 1.00 54.20 C ATOM 1079 CG LYS A 653 5.738 -4.214 1.335 1.00 45.31 C ATOM 1080 CD LYS A 653 6.555 -2.965 1.009 1.00 61.20 C ATOM 1081 CE LYS A 653 6.796 -2.796 -0.478 1.00 4.14 C ATOM 1082 NZ LYS A 653 7.753 -1.721 -0.755 1.00 13.41 N ATOM 0 H LYS A 653 4.065 -6.187 0.409 1.00 43.54 H new ATOM 0 HA LYS A 653 6.521 -7.614 1.148 1.00 74.12 H new ATOM 0 HB2 LYS A 653 7.466 -5.450 1.595 1.00 54.20 H new ATOM 0 HB3 LYS A 653 6.790 -5.492 -0.022 1.00 54.20 H new ATOM 0 HG2 LYS A 653 4.817 -4.211 0.752 1.00 45.31 H new ATOM 0 HG3 LYS A 653 5.450 -4.199 2.386 1.00 45.31 H new ATOM 0 HD2 LYS A 653 6.036 -2.086 1.391 1.00 61.20 H new ATOM 0 HD3 LYS A 653 7.514 -3.018 1.525 1.00 61.20 H new ATOM 0 HE2 LYS A 653 7.170 -3.732 -0.894 1.00 4.14 H new ATOM 0 HE3 LYS A 653 5.851 -2.580 -0.977 1.00 4.14 H new ATOM 0 HZ1 LYS A 653 7.514 -1.269 -1.661 1.00 13.41 H new ATOM 0 HZ2 LYS A 653 7.711 -1.014 0.007 1.00 13.41 H new ATOM 0 HZ3 LYS A 653 8.713 -2.116 -0.808 1.00 13.41 H new ATOM 1096 N ALA A 654 6.431 -7.173 3.686 1.00 72.24 N ATOM 1097 CA ALA A 654 6.226 -7.327 5.129 1.00 4.34 C ATOM 1098 C ALA A 654 5.703 -6.035 5.793 1.00 4.13 C ATOM 1099 O ALA A 654 5.749 -4.957 5.198 1.00 63.05 O ATOM 1100 CB ALA A 654 7.510 -7.799 5.789 1.00 74.21 C ATOM 0 H ALA A 654 7.398 -7.305 3.391 1.00 72.24 H new ATOM 0 HA ALA A 654 5.453 -8.082 5.272 1.00 4.34 H new ATOM 0 HB1 ALA A 654 7.348 -7.911 6.861 1.00 74.21 H new ATOM 0 HB2 ALA A 654 7.806 -8.759 5.365 1.00 74.21 H new ATOM 0 HB3 ALA A 654 8.299 -7.067 5.615 1.00 74.21 H new ATOM 1106 N ASN A 655 5.257 -6.150 7.043 1.00 45.24 N ATOM 1107 CA ASN A 655 4.616 -5.039 7.773 1.00 11.24 C ATOM 1108 C ASN A 655 5.552 -3.852 7.919 1.00 22.32 C ATOM 1109 O ASN A 655 5.172 -2.708 7.650 1.00 60.05 O ATOM 1110 CB ASN A 655 4.150 -5.481 9.171 1.00 3.04 C ATOM 1111 CG ASN A 655 3.260 -6.706 9.154 1.00 22.15 C ATOM 1112 OD1 ASN A 655 3.742 -7.823 9.263 1.00 30.00 O ATOM 1113 ND2 ASN A 655 1.975 -6.515 9.002 1.00 33.55 N ATOM 0 H ASN A 655 5.326 -7.012 7.584 1.00 45.24 H new ATOM 0 HA ASN A 655 3.750 -4.740 7.182 1.00 11.24 H new ATOM 0 HB2 ASN A 655 5.025 -5.686 9.788 1.00 3.04 H new ATOM 0 HB3 ASN A 655 3.613 -4.658 9.643 1.00 3.04 H new ATOM 0 HD21 ASN A 655 1.341 -7.313 8.971 1.00 33.55 H new ATOM 0 HD22 ASN A 655 1.607 -5.568 8.914 1.00 33.55 H new ATOM 1120 N GLN A 656 6.777 -4.120 8.328 1.00 71.20 N ATOM 1121 CA GLN A 656 7.755 -3.061 8.515 1.00 73.21 C ATOM 1122 C GLN A 656 8.194 -2.493 7.171 1.00 63.52 C ATOM 1123 O GLN A 656 8.458 -1.298 7.051 1.00 5.30 O ATOM 1124 CB GLN A 656 8.946 -3.555 9.313 1.00 22.41 C ATOM 1125 CG GLN A 656 8.583 -4.094 10.682 1.00 41.15 C ATOM 1126 CD GLN A 656 9.789 -4.575 11.447 1.00 12.45 C ATOM 1127 OE1 GLN A 656 10.412 -3.817 12.192 1.00 72.22 O ATOM 1128 NE2 GLN A 656 10.141 -5.819 11.258 1.00 30.34 N ATOM 0 H GLN A 656 7.120 -5.058 8.537 1.00 71.20 H new ATOM 0 HA GLN A 656 7.284 -2.260 9.084 1.00 73.21 H new ATOM 0 HB2 GLN A 656 9.452 -4.337 8.747 1.00 22.41 H new ATOM 0 HB3 GLN A 656 9.657 -2.737 9.431 1.00 22.41 H new ATOM 0 HG2 GLN A 656 8.080 -3.315 11.255 1.00 41.15 H new ATOM 0 HG3 GLN A 656 7.875 -4.915 10.570 1.00 41.15 H new ATOM 0 HE21 GLN A 656 9.597 -6.413 10.632 1.00 30.34 H new ATOM 0 HE22 GLN A 656 10.959 -6.196 11.736 1.00 30.34 H new ATOM 1137 N GLU A 657 8.238 -3.356 6.156 1.00 52.42 N ATOM 1138 CA GLU A 657 8.561 -2.942 4.794 1.00 12.54 C ATOM 1139 C GLU A 657 7.505 -1.989 4.297 1.00 50.52 C ATOM 1140 O GLU A 657 7.800 -1.001 3.629 1.00 23.34 O ATOM 1141 CB GLU A 657 8.591 -4.146 3.869 1.00 74.13 C ATOM 1142 CG GLU A 657 9.678 -5.146 4.170 1.00 22.15 C ATOM 1143 CD GLU A 657 11.039 -4.571 3.920 1.00 0.15 C ATOM 1144 OE1 GLU A 657 11.452 -4.516 2.747 1.00 14.21 O ATOM 1145 OE2 GLU A 657 11.717 -4.166 4.883 1.00 2.44 O ATOM 0 H GLU A 657 8.052 -4.354 6.255 1.00 52.42 H new ATOM 0 HA GLU A 657 9.539 -2.461 4.800 1.00 12.54 H new ATOM 0 HB2 GLU A 657 7.627 -4.651 3.922 1.00 74.13 H new ATOM 0 HB3 GLU A 657 8.712 -3.796 2.844 1.00 74.13 H new ATOM 0 HG2 GLU A 657 9.602 -5.465 5.209 1.00 22.15 H new ATOM 0 HG3 GLU A 657 9.538 -6.034 3.553 1.00 22.15 H new ATOM 1152 N ALA A 658 6.263 -2.306 4.627 1.00 25.15 N ATOM 1153 CA ALA A 658 5.136 -1.499 4.259 1.00 53.14 C ATOM 1154 C ALA A 658 5.269 -0.109 4.856 1.00 1.14 C ATOM 1155 O ALA A 658 5.075 0.879 4.175 1.00 62.11 O ATOM 1156 CB ALA A 658 3.835 -2.163 4.687 1.00 50.21 C ATOM 0 H ALA A 658 6.019 -3.139 5.162 1.00 25.15 H new ATOM 0 HA ALA A 658 5.114 -1.401 3.174 1.00 53.14 H new ATOM 0 HB1 ALA A 658 2.993 -1.534 4.398 1.00 50.21 H new ATOM 0 HB2 ALA A 658 3.745 -3.135 4.201 1.00 50.21 H new ATOM 0 HB3 ALA A 658 3.833 -2.297 5.769 1.00 50.21 H new ATOM 1162 N MET A 659 5.649 -0.042 6.116 1.00 1.14 N ATOM 1163 CA MET A 659 5.842 1.244 6.783 1.00 42.04 C ATOM 1164 C MET A 659 6.968 2.030 6.149 1.00 73.23 C ATOM 1165 O MET A 659 6.874 3.251 6.001 1.00 50.02 O ATOM 1166 CB MET A 659 6.090 1.069 8.267 1.00 53.42 C ATOM 1167 CG MET A 659 4.908 0.518 9.012 1.00 74.25 C ATOM 1168 SD MET A 659 5.216 0.340 10.764 1.00 51.04 S ATOM 1169 CE MET A 659 3.581 -0.113 11.299 1.00 64.43 C ATOM 0 H MET A 659 5.832 -0.856 6.703 1.00 1.14 H new ATOM 0 HA MET A 659 4.919 1.810 6.659 1.00 42.04 H new ATOM 0 HB2 MET A 659 6.941 0.403 8.409 1.00 53.42 H new ATOM 0 HB3 MET A 659 6.364 2.032 8.697 1.00 53.42 H new ATOM 0 HG2 MET A 659 4.052 1.176 8.863 1.00 74.25 H new ATOM 0 HG3 MET A 659 4.641 -0.453 8.594 1.00 74.25 H new ATOM 0 HE1 MET A 659 3.362 0.371 12.251 1.00 64.43 H new ATOM 0 HE2 MET A 659 2.853 0.206 10.554 1.00 64.43 H new ATOM 0 HE3 MET A 659 3.525 -1.195 11.421 1.00 64.43 H new ATOM 1179 N GLU A 660 8.012 1.324 5.752 1.00 24.33 N ATOM 1180 CA GLU A 660 9.150 1.900 5.107 1.00 44.14 C ATOM 1181 C GLU A 660 8.733 2.519 3.767 1.00 42.42 C ATOM 1182 O GLU A 660 9.270 3.555 3.345 1.00 60.15 O ATOM 1183 CB GLU A 660 10.202 0.813 4.933 1.00 45.24 C ATOM 1184 CG GLU A 660 11.489 1.278 4.342 1.00 72.24 C ATOM 1185 CD GLU A 660 12.519 0.184 4.313 1.00 22.23 C ATOM 1186 OE1 GLU A 660 13.197 -0.026 5.332 1.00 44.44 O ATOM 1187 OE2 GLU A 660 12.677 -0.487 3.275 1.00 61.53 O ATOM 0 H GLU A 660 8.081 0.314 5.878 1.00 24.33 H new ATOM 0 HA GLU A 660 9.574 2.702 5.711 1.00 44.14 H new ATOM 0 HB2 GLU A 660 10.406 0.365 5.906 1.00 45.24 H new ATOM 0 HB3 GLU A 660 9.791 0.027 4.300 1.00 45.24 H new ATOM 0 HG2 GLU A 660 11.314 1.639 3.328 1.00 72.24 H new ATOM 0 HG3 GLU A 660 11.870 2.121 4.919 1.00 72.24 H new ATOM 1194 N THR A 661 7.759 1.894 3.129 1.00 60.20 N ATOM 1195 CA THR A 661 7.202 2.403 1.914 1.00 13.35 C ATOM 1196 C THR A 661 6.290 3.602 2.224 1.00 43.24 C ATOM 1197 O THR A 661 6.463 4.677 1.659 1.00 53.01 O ATOM 1198 CB THR A 661 6.390 1.317 1.208 1.00 40.14 C ATOM 1199 OG1 THR A 661 7.228 0.179 1.033 1.00 52.33 O ATOM 1200 CG2 THR A 661 5.921 1.802 -0.157 1.00 63.21 C ATOM 0 H THR A 661 7.340 1.020 3.448 1.00 60.20 H new ATOM 0 HA THR A 661 8.015 2.720 1.262 1.00 13.35 H new ATOM 0 HB THR A 661 5.515 1.069 1.809 1.00 40.14 H new ATOM 0 HG1 THR A 661 7.359 -0.266 1.896 1.00 52.33 H new ATOM 0 HG21 THR A 661 5.345 1.015 -0.644 1.00 63.21 H new ATOM 0 HG22 THR A 661 5.296 2.686 -0.034 1.00 63.21 H new ATOM 0 HG23 THR A 661 6.786 2.052 -0.771 1.00 63.21 H new ATOM 1208 N LEU A 662 5.354 3.404 3.181 1.00 63.23 N ATOM 1209 CA LEU A 662 4.359 4.427 3.578 1.00 63.43 C ATOM 1210 C LEU A 662 5.009 5.757 3.890 1.00 2.54 C ATOM 1211 O LEU A 662 4.680 6.760 3.271 1.00 54.25 O ATOM 1212 CB LEU A 662 3.552 3.978 4.824 1.00 73.03 C ATOM 1213 CG LEU A 662 2.646 2.743 4.696 1.00 31.35 C ATOM 1214 CD1 LEU A 662 2.042 2.391 6.045 1.00 22.41 C ATOM 1215 CD2 LEU A 662 1.536 2.997 3.696 1.00 72.10 C ATOM 0 H LEU A 662 5.267 2.530 3.700 1.00 63.23 H new ATOM 0 HA LEU A 662 3.691 4.543 2.725 1.00 63.43 H new ATOM 0 HB2 LEU A 662 4.261 3.789 5.630 1.00 73.03 H new ATOM 0 HB3 LEU A 662 2.930 4.816 5.138 1.00 73.03 H new ATOM 0 HG LEU A 662 3.255 1.910 4.345 1.00 31.35 H new ATOM 0 HD11 LEU A 662 1.403 1.515 5.940 1.00 22.41 H new ATOM 0 HD12 LEU A 662 2.840 2.175 6.756 1.00 22.41 H new ATOM 0 HD13 LEU A 662 1.450 3.231 6.409 1.00 22.41 H new ATOM 0 HD21 LEU A 662 0.905 2.111 3.619 1.00 72.10 H new ATOM 0 HD22 LEU A 662 0.934 3.843 4.028 1.00 72.10 H new ATOM 0 HD23 LEU A 662 1.969 3.220 2.721 1.00 72.10 H new ATOM 1227 N ARG A 663 5.966 5.745 4.817 1.00 11.13 N ATOM 1228 CA ARG A 663 6.637 6.974 5.270 1.00 33.55 C ATOM 1229 C ARG A 663 7.241 7.740 4.074 1.00 74.21 C ATOM 1230 O ARG A 663 7.185 8.979 4.007 1.00 42.13 O ATOM 1231 CB ARG A 663 7.757 6.624 6.269 1.00 3.41 C ATOM 1232 CG ARG A 663 7.279 5.939 7.547 1.00 64.14 C ATOM 1233 CD ARG A 663 8.449 5.512 8.437 1.00 12.33 C ATOM 1234 NE ARG A 663 9.274 6.646 8.887 1.00 33.13 N ATOM 1235 CZ ARG A 663 10.492 6.536 9.461 1.00 42.34 C ATOM 1236 NH1 ARG A 663 11.071 5.343 9.605 1.00 64.21 N ATOM 1237 NH2 ARG A 663 11.138 7.624 9.860 1.00 0.23 N ATOM 0 H ARG A 663 6.299 4.896 5.274 1.00 11.13 H new ATOM 0 HA ARG A 663 5.895 7.608 5.757 1.00 33.55 H new ATOM 0 HB2 ARG A 663 8.478 5.975 5.773 1.00 3.41 H new ATOM 0 HB3 ARG A 663 8.284 7.539 6.539 1.00 3.41 H new ATOM 0 HG2 ARG A 663 6.630 6.617 8.101 1.00 64.14 H new ATOM 0 HG3 ARG A 663 6.681 5.065 7.289 1.00 64.14 H new ATOM 0 HD2 ARG A 663 8.062 4.984 9.308 1.00 12.33 H new ATOM 0 HD3 ARG A 663 9.076 4.808 7.890 1.00 12.33 H new ATOM 0 HE ARG A 663 8.898 7.585 8.755 1.00 33.13 H new ATOM 0 HH11 ARG A 663 10.594 4.502 9.280 1.00 64.21 H new ATOM 0 HH12 ARG A 663 11.991 5.272 10.040 1.00 64.21 H new ATOM 0 HH21 ARG A 663 10.715 8.543 9.733 1.00 0.23 H new ATOM 0 HH22 ARG A 663 12.058 7.541 10.293 1.00 0.23 H new ATOM 1251 N ARG A 664 7.766 6.985 3.130 1.00 74.35 N ATOM 1252 CA ARG A 664 8.420 7.522 1.952 1.00 33.12 C ATOM 1253 C ARG A 664 7.419 8.034 0.957 1.00 61.32 C ATOM 1254 O ARG A 664 7.564 9.126 0.467 1.00 41.32 O ATOM 1255 CB ARG A 664 9.304 6.458 1.329 1.00 41.52 C ATOM 1256 CG ARG A 664 10.123 6.916 0.144 1.00 34.24 C ATOM 1257 CD ARG A 664 10.953 5.771 -0.385 1.00 61.13 C ATOM 1258 NE ARG A 664 11.858 5.223 0.641 1.00 44.33 N ATOM 1259 CZ ARG A 664 12.345 3.978 0.650 1.00 61.12 C ATOM 1260 NH1 ARG A 664 12.011 3.121 -0.309 1.00 64.14 N ATOM 1261 NH2 ARG A 664 13.166 3.590 1.625 1.00 31.23 N ATOM 0 H ARG A 664 7.750 5.966 3.160 1.00 74.35 H new ATOM 0 HA ARG A 664 9.039 8.367 2.254 1.00 33.12 H new ATOM 0 HB2 ARG A 664 9.981 6.078 2.094 1.00 41.52 H new ATOM 0 HB3 ARG A 664 8.676 5.624 1.016 1.00 41.52 H new ATOM 0 HG2 ARG A 664 9.465 7.291 -0.640 1.00 34.24 H new ATOM 0 HG3 ARG A 664 10.772 7.741 0.437 1.00 34.24 H new ATOM 0 HD2 ARG A 664 10.293 4.982 -0.745 1.00 61.13 H new ATOM 0 HD3 ARG A 664 11.538 6.112 -1.239 1.00 61.13 H new ATOM 0 HE ARG A 664 12.134 5.842 1.403 1.00 44.33 H new ATOM 0 HH11 ARG A 664 11.381 3.412 -1.056 1.00 64.14 H new ATOM 0 HH12 ARG A 664 12.385 2.172 -0.298 1.00 64.14 H new ATOM 0 HH21 ARG A 664 13.423 4.243 2.365 1.00 31.23 H new ATOM 0 HH22 ARG A 664 13.537 2.640 1.631 1.00 31.23 H new ATOM 1275 N SER A 665 6.403 7.266 0.684 1.00 72.10 N ATOM 1276 CA SER A 665 5.400 7.644 -0.276 1.00 4.24 C ATOM 1277 C SER A 665 4.694 8.937 0.145 1.00 1.04 C ATOM 1278 O SER A 665 4.395 9.784 -0.685 1.00 5.42 O ATOM 1279 CB SER A 665 4.416 6.500 -0.460 1.00 32.44 C ATOM 1280 OG SER A 665 5.086 5.336 -0.919 1.00 14.44 O ATOM 0 H SER A 665 6.245 6.358 1.121 1.00 72.10 H new ATOM 0 HA SER A 665 5.880 7.844 -1.234 1.00 4.24 H new ATOM 0 HB2 SER A 665 3.914 6.289 0.484 1.00 32.44 H new ATOM 0 HB3 SER A 665 3.644 6.788 -1.174 1.00 32.44 H new ATOM 0 HG SER A 665 5.617 4.955 -0.189 1.00 14.44 H new ATOM 1286 N MET A 666 4.494 9.106 1.437 1.00 75.03 N ATOM 1287 CA MET A 666 3.853 10.311 1.973 1.00 53.11 C ATOM 1288 C MET A 666 4.716 11.537 1.712 1.00 53.35 C ATOM 1289 O MET A 666 4.218 12.618 1.419 1.00 52.02 O ATOM 1290 CB MET A 666 3.672 10.184 3.473 1.00 3.54 C ATOM 1291 CG MET A 666 2.860 8.996 3.906 1.00 41.01 C ATOM 1292 SD MET A 666 2.778 8.857 5.685 1.00 21.20 S ATOM 1293 CE MET A 666 1.894 10.348 6.073 1.00 3.55 C ATOM 0 H MET A 666 4.765 8.425 2.146 1.00 75.03 H new ATOM 0 HA MET A 666 2.887 10.420 1.479 1.00 53.11 H new ATOM 0 HB2 MET A 666 4.655 10.126 3.941 1.00 3.54 H new ATOM 0 HB3 MET A 666 3.194 11.090 3.846 1.00 3.54 H new ATOM 0 HG2 MET A 666 1.851 9.079 3.502 1.00 41.01 H new ATOM 0 HG3 MET A 666 3.296 8.087 3.491 1.00 41.01 H new ATOM 0 HE1 MET A 666 1.212 10.161 6.902 1.00 3.55 H new ATOM 0 HE2 MET A 666 2.602 11.128 6.354 1.00 3.55 H new ATOM 0 HE3 MET A 666 1.325 10.671 5.201 1.00 3.55 H new ATOM 1303 N SER A 667 6.003 11.347 1.804 1.00 51.13 N ATOM 1304 CA SER A 667 6.943 12.421 1.665 1.00 54.34 C ATOM 1305 C SER A 667 7.317 12.631 0.186 1.00 31.31 C ATOM 1306 O SER A 667 7.255 13.751 -0.332 1.00 23.34 O ATOM 1307 CB SER A 667 8.186 12.106 2.518 1.00 52.22 C ATOM 1308 OG SER A 667 9.121 13.173 2.522 1.00 21.23 O ATOM 0 H SER A 667 6.430 10.437 1.978 1.00 51.13 H new ATOM 0 HA SER A 667 6.495 13.350 2.017 1.00 54.34 H new ATOM 0 HB2 SER A 667 7.877 11.893 3.541 1.00 52.22 H new ATOM 0 HB3 SER A 667 8.667 11.206 2.136 1.00 52.22 H new ATOM 0 HG SER A 667 9.892 12.930 3.076 1.00 21.23 H new ATOM 1314 N THR A 668 7.660 11.549 -0.494 1.00 5.43 N ATOM 1315 CA THR A 668 8.112 11.615 -1.863 1.00 11.34 C ATOM 1316 C THR A 668 6.952 11.904 -2.828 1.00 15.11 C ATOM 1317 O THR A 668 7.055 12.776 -3.699 1.00 54.11 O ATOM 1318 CB THR A 668 8.819 10.309 -2.251 1.00 73.14 C ATOM 1319 OG1 THR A 668 9.885 10.049 -1.315 1.00 43.32 O ATOM 1320 CG2 THR A 668 9.394 10.381 -3.660 1.00 74.22 C ATOM 0 H THR A 668 7.631 10.605 -0.108 1.00 5.43 H new ATOM 0 HA THR A 668 8.820 12.440 -1.942 1.00 11.34 H new ATOM 0 HB THR A 668 8.084 9.505 -2.225 1.00 73.14 H new ATOM 0 HG1 THR A 668 9.512 9.675 -0.490 1.00 43.32 H new ATOM 0 HG21 THR A 668 9.887 9.439 -3.900 1.00 74.22 H new ATOM 0 HG22 THR A 668 8.589 10.562 -4.373 1.00 74.22 H new ATOM 0 HG23 THR A 668 10.118 11.194 -3.716 1.00 74.22 H new ATOM 1328 N GLU A 669 5.864 11.194 -2.664 1.00 63.15 N ATOM 1329 CA GLU A 669 4.697 11.374 -3.543 1.00 71.43 C ATOM 1330 C GLU A 669 3.705 12.375 -2.977 1.00 3.11 C ATOM 1331 O GLU A 669 3.223 13.251 -3.698 1.00 13.33 O ATOM 1332 CB GLU A 669 4.000 10.041 -3.802 1.00 25.52 C ATOM 1333 CG GLU A 669 4.743 9.099 -4.724 1.00 4.33 C ATOM 1334 CD GLU A 669 4.731 9.578 -6.153 1.00 44.42 C ATOM 1335 OE1 GLU A 669 3.791 9.221 -6.888 1.00 2.12 O ATOM 1336 OE2 GLU A 669 5.646 10.309 -6.567 1.00 51.21 O ATOM 0 H GLU A 669 5.745 10.486 -1.939 1.00 63.15 H new ATOM 0 HA GLU A 669 5.071 11.771 -4.487 1.00 71.43 H new ATOM 0 HB2 GLU A 669 3.841 9.540 -2.847 1.00 25.52 H new ATOM 0 HB3 GLU A 669 3.016 10.239 -4.226 1.00 25.52 H new ATOM 0 HG2 GLU A 669 5.774 8.998 -4.385 1.00 4.33 H new ATOM 0 HG3 GLU A 669 4.291 8.108 -4.670 1.00 4.33 H new ATOM 1343 N GLY A 670 3.409 12.239 -1.691 1.00 12.43 N ATOM 1344 CA GLY A 670 2.441 13.104 -1.030 1.00 23.34 C ATOM 1345 C GLY A 670 2.768 14.569 -1.182 1.00 35.34 C ATOM 1346 O GLY A 670 1.992 15.334 -1.792 1.00 71.40 O ATOM 0 H GLY A 670 3.827 11.535 -1.083 1.00 12.43 H new ATOM 0 HA2 GLY A 670 1.450 12.913 -1.441 1.00 23.34 H new ATOM 0 HA3 GLY A 670 2.401 12.853 0.030 1.00 23.34 H new ATOM 1350 N ASN A 671 3.911 14.979 -0.667 1.00 3.53 N ATOM 1351 CA ASN A 671 4.300 16.364 -0.802 1.00 14.45 C ATOM 1352 C ASN A 671 4.988 16.557 -2.142 1.00 70.14 C ATOM 1353 O ASN A 671 6.218 16.557 -2.246 1.00 44.24 O ATOM 1354 CB ASN A 671 5.183 16.853 0.356 1.00 54.41 C ATOM 1355 CG ASN A 671 5.422 18.359 0.305 1.00 74.33 C ATOM 1356 OD1 ASN A 671 6.363 18.844 -0.322 1.00 44.55 O ATOM 1357 ND2 ASN A 671 4.583 19.109 0.977 1.00 21.14 N ATOM 0 H ASN A 671 4.571 14.387 -0.163 1.00 3.53 H new ATOM 0 HA ASN A 671 3.398 16.974 -0.760 1.00 14.45 H new ATOM 0 HB2 ASN A 671 4.712 16.594 1.304 1.00 54.41 H new ATOM 0 HB3 ASN A 671 6.141 16.334 0.324 1.00 54.41 H new ATOM 0 HD21 ASN A 671 4.701 20.122 0.989 1.00 21.14 H new ATOM 0 HD22 ASN A 671 3.812 18.680 1.488 1.00 21.14 H new ATOM 1364 N LYS A 672 4.165 16.637 -3.156 1.00 22.13 N ATOM 1365 CA LYS A 672 4.551 16.775 -4.548 1.00 63.11 C ATOM 1366 C LYS A 672 3.294 16.720 -5.386 1.00 35.14 C ATOM 1367 O LYS A 672 3.091 17.529 -6.284 1.00 75.30 O ATOM 1368 CB LYS A 672 5.510 15.630 -4.985 1.00 53.35 C ATOM 1369 CG LYS A 672 5.871 15.624 -6.470 1.00 4.33 C ATOM 1370 CD LYS A 672 6.551 16.913 -6.902 1.00 71.20 C ATOM 1371 CE LYS A 672 6.856 16.906 -8.395 1.00 24.22 C ATOM 1372 NZ LYS A 672 7.480 18.174 -8.844 1.00 72.43 N ATOM 0 H LYS A 672 3.153 16.607 -3.032 1.00 22.13 H new ATOM 0 HA LYS A 672 5.076 17.721 -4.683 1.00 63.11 H new ATOM 0 HB2 LYS A 672 6.429 15.703 -4.403 1.00 53.35 H new ATOM 0 HB3 LYS A 672 5.049 14.674 -4.734 1.00 53.35 H new ATOM 0 HG2 LYS A 672 6.529 14.781 -6.678 1.00 4.33 H new ATOM 0 HG3 LYS A 672 4.967 15.477 -7.061 1.00 4.33 H new ATOM 0 HD2 LYS A 672 5.910 17.762 -6.664 1.00 71.20 H new ATOM 0 HD3 LYS A 672 7.476 17.044 -6.341 1.00 71.20 H new ATOM 0 HE2 LYS A 672 7.522 16.074 -8.624 1.00 24.22 H new ATOM 0 HE3 LYS A 672 5.934 16.739 -8.952 1.00 24.22 H new ATOM 0 HZ1 LYS A 672 7.670 18.125 -9.865 1.00 72.43 H new ATOM 0 HZ2 LYS A 672 6.835 18.966 -8.650 1.00 72.43 H new ATOM 0 HZ3 LYS A 672 8.373 18.321 -8.332 1.00 72.43 H new ATOM 1386 N ARG A 673 2.441 15.761 -5.070 1.00 52.55 N ATOM 1387 CA ARG A 673 1.216 15.544 -5.818 1.00 24.10 C ATOM 1388 C ARG A 673 0.025 16.229 -5.188 1.00 53.54 C ATOM 1389 O ARG A 673 -1.080 16.170 -5.717 1.00 61.42 O ATOM 1390 CB ARG A 673 0.968 14.054 -5.996 1.00 42.14 C ATOM 1391 CG ARG A 673 2.081 13.381 -6.764 1.00 1.24 C ATOM 1392 CD ARG A 673 1.906 11.885 -6.849 1.00 32.13 C ATOM 1393 NE ARG A 673 0.681 11.486 -7.540 1.00 34.22 N ATOM 1394 CZ ARG A 673 0.315 10.221 -7.723 1.00 3.45 C ATOM 1395 NH1 ARG A 673 1.111 9.235 -7.328 1.00 1.03 N ATOM 1396 NH2 ARG A 673 -0.818 9.939 -8.329 1.00 0.32 N ATOM 0 H ARG A 673 2.577 15.115 -4.293 1.00 52.55 H new ATOM 0 HA ARG A 673 1.345 15.998 -6.800 1.00 24.10 H new ATOM 0 HB2 ARG A 673 0.868 13.584 -5.018 1.00 42.14 H new ATOM 0 HB3 ARG A 673 0.024 13.904 -6.520 1.00 42.14 H new ATOM 0 HG2 ARG A 673 2.125 13.796 -7.771 1.00 1.24 H new ATOM 0 HG3 ARG A 673 3.034 13.605 -6.286 1.00 1.24 H new ATOM 0 HD2 ARG A 673 2.764 11.454 -7.366 1.00 32.13 H new ATOM 0 HD3 ARG A 673 1.899 11.469 -5.842 1.00 32.13 H new ATOM 0 HE ARG A 673 0.072 12.220 -7.902 1.00 34.22 H new ATOM 0 HH11 ARG A 673 2.004 9.448 -6.884 1.00 1.03 H new ATOM 0 HH12 ARG A 673 0.829 8.265 -7.469 1.00 1.03 H new ATOM 0 HH21 ARG A 673 -1.420 10.692 -8.661 1.00 0.32 H new ATOM 0 HH22 ARG A 673 -1.094 8.967 -8.467 1.00 0.32 H new ATOM 1410 N GLY A 674 0.243 16.863 -4.056 1.00 12.54 N ATOM 1411 CA GLY A 674 -0.812 17.612 -3.403 1.00 40.32 C ATOM 1412 C GLY A 674 -1.671 16.761 -2.499 1.00 53.42 C ATOM 1413 O GLY A 674 -2.099 17.212 -1.429 1.00 65.33 O ATOM 0 H GLY A 674 1.139 16.876 -3.569 1.00 12.54 H new ATOM 0 HA2 GLY A 674 -0.369 18.419 -2.819 1.00 40.32 H new ATOM 0 HA3 GLY A 674 -1.442 18.077 -4.161 1.00 40.32 H new ATOM 1417 N MET A 675 -1.928 15.546 -2.906 1.00 4.31 N ATOM 1418 CA MET A 675 -2.745 14.653 -2.125 1.00 42.22 C ATOM 1419 C MET A 675 -2.158 13.272 -2.109 1.00 13.52 C ATOM 1420 O MET A 675 -1.393 12.895 -3.005 1.00 43.10 O ATOM 1421 CB MET A 675 -4.212 14.618 -2.620 1.00 64.42 C ATOM 1422 CG MET A 675 -4.403 14.143 -4.050 1.00 13.05 C ATOM 1423 SD MET A 675 -6.144 14.100 -4.524 1.00 14.24 S ATOM 1424 CE MET A 675 -6.003 13.601 -6.232 1.00 61.23 C ATOM 0 H MET A 675 -1.581 15.149 -3.779 1.00 4.31 H new ATOM 0 HA MET A 675 -2.758 15.040 -1.106 1.00 42.22 H new ATOM 0 HB2 MET A 675 -4.786 13.968 -1.959 1.00 64.42 H new ATOM 0 HB3 MET A 675 -4.633 15.619 -2.528 1.00 64.42 H new ATOM 0 HG2 MET A 675 -3.860 14.803 -4.726 1.00 13.05 H new ATOM 0 HG3 MET A 675 -3.973 13.148 -4.162 1.00 13.05 H new ATOM 0 HE1 MET A 675 -6.997 13.527 -6.673 1.00 61.23 H new ATOM 0 HE2 MET A 675 -5.417 14.339 -6.780 1.00 61.23 H new ATOM 0 HE3 MET A 675 -5.509 12.631 -6.288 1.00 61.23 H new ATOM 1434 N ILE A 676 -2.505 12.541 -1.100 1.00 55.01 N ATOM 1435 CA ILE A 676 -2.071 11.206 -0.915 1.00 41.04 C ATOM 1436 C ILE A 676 -3.257 10.260 -1.095 1.00 22.44 C ATOM 1437 O ILE A 676 -4.343 10.507 -0.590 1.00 23.43 O ATOM 1438 CB ILE A 676 -1.379 11.002 0.481 1.00 31.14 C ATOM 1439 CG1 ILE A 676 -1.055 9.526 0.694 1.00 1.23 C ATOM 1440 CG2 ILE A 676 -2.239 11.546 1.611 1.00 41.24 C ATOM 1441 CD1 ILE A 676 -0.279 9.201 1.935 1.00 35.41 C ATOM 0 H ILE A 676 -3.121 12.875 -0.359 1.00 55.01 H new ATOM 0 HA ILE A 676 -1.316 10.978 -1.667 1.00 41.04 H new ATOM 0 HB ILE A 676 -0.446 11.566 0.488 1.00 31.14 H new ATOM 0 HG12 ILE A 676 -1.991 8.968 0.717 1.00 1.23 H new ATOM 0 HG13 ILE A 676 -0.492 9.169 -0.168 1.00 1.23 H new ATOM 0 HG21 ILE A 676 -1.731 11.389 2.563 1.00 41.24 H new ATOM 0 HG22 ILE A 676 -2.406 12.613 1.460 1.00 41.24 H new ATOM 0 HG23 ILE A 676 -3.197 11.027 1.621 1.00 41.24 H new ATOM 0 HD11 ILE A 676 -0.105 8.126 1.985 1.00 35.41 H new ATOM 0 HD12 ILE A 676 0.678 9.722 1.913 1.00 35.41 H new ATOM 0 HD13 ILE A 676 -0.845 9.518 2.811 1.00 35.41 H new ATOM 1453 N GLN A 677 -3.044 9.225 -1.836 1.00 74.43 N ATOM 1454 CA GLN A 677 -4.080 8.270 -2.155 1.00 55.32 C ATOM 1455 C GLN A 677 -3.922 7.020 -1.320 1.00 34.12 C ATOM 1456 O GLN A 677 -2.851 6.452 -1.258 1.00 65.33 O ATOM 1457 CB GLN A 677 -4.006 7.929 -3.633 1.00 32.41 C ATOM 1458 CG GLN A 677 -5.054 6.958 -4.113 1.00 1.05 C ATOM 1459 CD GLN A 677 -4.967 6.719 -5.601 1.00 22.32 C ATOM 1460 OE1 GLN A 677 -4.277 5.808 -6.054 1.00 30.51 O ATOM 1461 NE2 GLN A 677 -5.615 7.553 -6.371 1.00 31.42 N ATOM 0 H GLN A 677 -2.137 9.005 -2.248 1.00 74.43 H new ATOM 0 HA GLN A 677 -5.053 8.707 -1.931 1.00 55.32 H new ATOM 0 HB2 GLN A 677 -4.094 8.850 -4.209 1.00 32.41 H new ATOM 0 HB3 GLN A 677 -3.021 7.513 -3.846 1.00 32.41 H new ATOM 0 HG2 GLN A 677 -4.938 6.011 -3.587 1.00 1.05 H new ATOM 0 HG3 GLN A 677 -6.044 7.341 -3.865 1.00 1.05 H new ATOM 0 HE21 GLN A 677 -6.178 8.297 -5.958 1.00 31.42 H new ATOM 0 HE22 GLN A 677 -5.558 7.460 -7.385 1.00 31.42 H new ATOM 1470 N LEU A 678 -4.968 6.613 -0.674 1.00 63.30 N ATOM 1471 CA LEU A 678 -4.931 5.438 0.152 1.00 0.41 C ATOM 1472 C LEU A 678 -5.871 4.411 -0.401 1.00 43.42 C ATOM 1473 O LEU A 678 -7.037 4.707 -0.681 1.00 70.54 O ATOM 1474 CB LEU A 678 -5.334 5.733 1.618 1.00 21.31 C ATOM 1475 CG LEU A 678 -4.538 6.790 2.394 1.00 14.23 C ATOM 1476 CD1 LEU A 678 -3.068 6.465 2.387 1.00 60.43 C ATOM 1477 CD2 LEU A 678 -4.804 8.194 1.871 1.00 34.24 C ATOM 0 H LEU A 678 -5.873 7.082 -0.701 1.00 63.30 H new ATOM 0 HA LEU A 678 -3.903 5.075 0.149 1.00 0.41 H new ATOM 0 HB2 LEU A 678 -6.381 6.038 1.620 1.00 21.31 H new ATOM 0 HB3 LEU A 678 -5.273 4.797 2.174 1.00 21.31 H new ATOM 0 HG LEU A 678 -4.880 6.769 3.429 1.00 14.23 H new ATOM 0 HD11 LEU A 678 -2.524 7.228 2.943 1.00 60.43 H new ATOM 0 HD12 LEU A 678 -2.908 5.493 2.853 1.00 60.43 H new ATOM 0 HD13 LEU A 678 -2.706 6.438 1.359 1.00 60.43 H new ATOM 0 HD21 LEU A 678 -4.222 8.913 2.447 1.00 34.24 H new ATOM 0 HD22 LEU A 678 -4.516 8.252 0.821 1.00 34.24 H new ATOM 0 HD23 LEU A 678 -5.865 8.424 1.970 1.00 34.24 H new ATOM 1489 N ILE A 679 -5.378 3.240 -0.587 1.00 10.50 N ATOM 1490 CA ILE A 679 -6.179 2.149 -1.029 1.00 34.42 C ATOM 1491 C ILE A 679 -6.218 1.145 0.052 1.00 31.31 C ATOM 1492 O ILE A 679 -5.181 0.619 0.465 1.00 21.02 O ATOM 1493 CB ILE A 679 -5.629 1.527 -2.322 1.00 10.04 C ATOM 1494 CG1 ILE A 679 -5.698 2.571 -3.409 1.00 62.13 C ATOM 1495 CG2 ILE A 679 -6.453 0.287 -2.718 1.00 41.13 C ATOM 1496 CD1 ILE A 679 -4.962 2.232 -4.674 1.00 40.21 C ATOM 0 H ILE A 679 -4.397 3.006 -0.436 1.00 10.50 H new ATOM 0 HA ILE A 679 -7.183 2.507 -1.255 1.00 34.42 H new ATOM 0 HB ILE A 679 -4.598 1.206 -2.173 1.00 10.04 H new ATOM 0 HG12 ILE A 679 -6.745 2.748 -3.654 1.00 62.13 H new ATOM 0 HG13 ILE A 679 -5.300 3.507 -3.017 1.00 62.13 H new ATOM 0 HG21 ILE A 679 -6.049 -0.140 -3.636 1.00 41.13 H new ATOM 0 HG22 ILE A 679 -6.402 -0.454 -1.920 1.00 41.13 H new ATOM 0 HG23 ILE A 679 -7.491 0.576 -2.879 1.00 41.13 H new ATOM 0 HD11 ILE A 679 -5.074 3.046 -5.390 1.00 40.21 H new ATOM 0 HD12 ILE A 679 -3.905 2.087 -4.452 1.00 40.21 H new ATOM 0 HD13 ILE A 679 -5.372 1.316 -5.099 1.00 40.21 H new ATOM 1508 N VAL A 680 -7.375 0.897 0.523 1.00 65.33 N ATOM 1509 CA VAL A 680 -7.560 -0.029 1.592 1.00 32.31 C ATOM 1510 C VAL A 680 -8.514 -1.112 1.173 1.00 61.31 C ATOM 1511 O VAL A 680 -9.271 -0.953 0.198 1.00 51.45 O ATOM 1512 CB VAL A 680 -8.056 0.655 2.916 1.00 45.10 C ATOM 1513 CG1 VAL A 680 -7.034 1.657 3.435 1.00 62.05 C ATOM 1514 CG2 VAL A 680 -9.413 1.341 2.730 1.00 1.20 C ATOM 0 H VAL A 680 -8.235 1.328 0.183 1.00 65.33 H new ATOM 0 HA VAL A 680 -6.584 -0.462 1.812 1.00 32.31 H new ATOM 0 HB VAL A 680 -8.176 -0.138 3.654 1.00 45.10 H new ATOM 0 HG11 VAL A 680 -7.406 2.114 4.352 1.00 62.05 H new ATOM 0 HG12 VAL A 680 -6.094 1.145 3.640 1.00 62.05 H new ATOM 0 HG13 VAL A 680 -6.870 2.431 2.685 1.00 62.05 H new ATOM 0 HG21 VAL A 680 -9.720 1.801 3.669 1.00 1.20 H new ATOM 0 HG22 VAL A 680 -9.330 2.108 1.960 1.00 1.20 H new ATOM 0 HG23 VAL A 680 -10.156 0.602 2.428 1.00 1.20 H new ATOM 1524 N ALA A 681 -8.484 -2.190 1.881 1.00 54.21 N ATOM 1525 CA ALA A 681 -9.331 -3.284 1.609 1.00 52.01 C ATOM 1526 C ALA A 681 -10.342 -3.362 2.694 1.00 53.24 C ATOM 1527 O ALA A 681 -10.019 -3.409 3.894 1.00 75.14 O ATOM 1528 CB ALA A 681 -8.547 -4.581 1.517 1.00 61.54 C ATOM 0 H ALA A 681 -7.859 -2.331 2.675 1.00 54.21 H new ATOM 0 HA ALA A 681 -9.818 -3.138 0.645 1.00 52.01 H new ATOM 0 HB1 ALA A 681 -9.229 -5.404 1.307 1.00 61.54 H new ATOM 0 HB2 ALA A 681 -7.811 -4.506 0.716 1.00 61.54 H new ATOM 0 HB3 ALA A 681 -8.037 -4.765 2.462 1.00 61.54 H new ATOM 1534 N ARG A 682 -11.545 -3.367 2.283 1.00 72.42 N ATOM 1535 CA ARG A 682 -12.645 -3.343 3.153 1.00 11.14 C ATOM 1536 C ARG A 682 -13.327 -4.669 3.122 1.00 72.01 C ATOM 1537 O ARG A 682 -13.771 -5.122 2.067 1.00 0.23 O ATOM 1538 CB ARG A 682 -13.595 -2.262 2.633 1.00 35.22 C ATOM 1539 CG ARG A 682 -14.947 -2.154 3.309 1.00 2.40 C ATOM 1540 CD ARG A 682 -14.836 -1.704 4.740 1.00 53.12 C ATOM 1541 NE ARG A 682 -14.102 -0.421 4.872 1.00 4.42 N ATOM 1542 CZ ARG A 682 -14.666 0.785 5.048 1.00 4.44 C ATOM 1543 NH1 ARG A 682 -15.983 0.938 4.910 1.00 0.24 N ATOM 1544 NH2 ARG A 682 -13.897 1.840 5.334 1.00 53.43 N ATOM 0 H ARG A 682 -11.800 -3.389 1.296 1.00 72.42 H new ATOM 0 HA ARG A 682 -12.338 -3.134 4.178 1.00 11.14 H new ATOM 0 HB2 ARG A 682 -13.093 -1.298 2.722 1.00 35.22 H new ATOM 0 HB3 ARG A 682 -13.760 -2.438 1.570 1.00 35.22 H new ATOM 0 HG2 ARG A 682 -15.571 -1.452 2.757 1.00 2.40 H new ATOM 0 HG3 ARG A 682 -15.447 -3.122 3.273 1.00 2.40 H new ATOM 0 HD2 ARG A 682 -15.835 -1.594 5.162 1.00 53.12 H new ATOM 0 HD3 ARG A 682 -14.327 -2.473 5.322 1.00 53.12 H new ATOM 0 HE ARG A 682 -13.084 -0.458 4.825 1.00 4.42 H new ATOM 0 HH11 ARG A 682 -16.567 0.137 4.670 1.00 0.24 H new ATOM 0 HH12 ARG A 682 -16.407 1.856 5.045 1.00 0.24 H new ATOM 0 HH21 ARG A 682 -12.887 1.727 5.418 1.00 53.43 H new ATOM 0 HH22 ARG A 682 -14.320 2.758 5.469 1.00 53.43 H new ATOM 1839 N GLU B 780 3.770 -3.680 15.026 1.00 10.40 N ATOM 1840 CA GLU B 780 4.336 -2.334 14.899 1.00 21.24 C ATOM 1841 C GLU B 780 3.254 -1.318 14.558 1.00 72.05 C ATOM 1842 O GLU B 780 2.385 -1.586 13.726 1.00 14.20 O ATOM 1843 CB GLU B 780 5.473 -2.271 13.851 1.00 30.40 C ATOM 1844 CG GLU B 780 6.696 -3.174 14.115 1.00 75.12 C ATOM 1845 CD GLU B 780 6.377 -4.647 14.043 1.00 64.42 C ATOM 1846 OE1 GLU B 780 5.754 -5.056 13.066 1.00 51.22 O ATOM 1847 OE2 GLU B 780 6.713 -5.406 14.987 1.00 43.22 O ATOM 0 HA GLU B 780 4.767 -2.083 15.868 1.00 21.24 H new ATOM 0 HB2 GLU B 780 5.057 -2.534 12.878 1.00 30.40 H new ATOM 0 HB3 GLU B 780 5.818 -1.239 13.782 1.00 30.40 H new ATOM 0 HG2 GLU B 780 7.474 -2.942 13.388 1.00 75.12 H new ATOM 0 HG3 GLU B 780 7.102 -2.945 15.100 1.00 75.12 H new ATOM 1854 N GLU B 781 3.307 -0.174 15.214 1.00 33.32 N ATOM 1855 CA GLU B 781 2.335 0.892 15.031 1.00 62.05 C ATOM 1856 C GLU B 781 2.999 2.124 14.458 1.00 3.45 C ATOM 1857 O GLU B 781 4.035 2.569 14.954 1.00 21.22 O ATOM 1858 CB GLU B 781 1.687 1.225 16.373 1.00 72.23 C ATOM 1859 CG GLU B 781 0.805 0.125 16.908 1.00 54.12 C ATOM 1860 CD GLU B 781 0.456 0.282 18.360 1.00 73.32 C ATOM 1861 OE1 GLU B 781 1.367 0.163 19.214 1.00 2.01 O ATOM 1862 OE2 GLU B 781 -0.724 0.511 18.678 1.00 64.44 O ATOM 0 H GLU B 781 4.033 0.045 15.896 1.00 33.32 H new ATOM 0 HA GLU B 781 1.570 0.557 14.330 1.00 62.05 H new ATOM 0 HB2 GLU B 781 2.469 1.439 17.101 1.00 72.23 H new ATOM 0 HB3 GLU B 781 1.095 2.134 16.265 1.00 72.23 H new ATOM 0 HG2 GLU B 781 -0.115 0.093 16.324 1.00 54.12 H new ATOM 0 HG3 GLU B 781 1.307 -0.832 16.766 1.00 54.12 H new ATOM 1869 N LEU B 782 2.401 2.666 13.433 1.00 64.35 N ATOM 1870 CA LEU B 782 2.884 3.822 12.767 1.00 71.14 C ATOM 1871 C LEU B 782 1.790 4.880 12.674 1.00 33.11 C ATOM 1872 O LEU B 782 0.676 4.595 12.252 1.00 71.21 O ATOM 1873 CB LEU B 782 3.331 3.423 11.367 1.00 21.31 C ATOM 1874 CG LEU B 782 3.712 4.545 10.435 1.00 10.42 C ATOM 1875 CD1 LEU B 782 4.912 5.301 10.950 1.00 30.22 C ATOM 1876 CD2 LEU B 782 3.948 4.014 9.050 1.00 10.50 C ATOM 0 H LEU B 782 1.538 2.296 13.034 1.00 64.35 H new ATOM 0 HA LEU B 782 3.721 4.241 13.326 1.00 71.14 H new ATOM 0 HB2 LEU B 782 4.185 2.753 11.460 1.00 21.31 H new ATOM 0 HB3 LEU B 782 2.527 2.852 10.902 1.00 21.31 H new ATOM 0 HG LEU B 782 2.883 5.252 10.391 1.00 10.42 H new ATOM 0 HD11 LEU B 782 5.162 6.103 10.256 1.00 30.22 H new ATOM 0 HD12 LEU B 782 4.683 5.725 11.928 1.00 30.22 H new ATOM 0 HD13 LEU B 782 5.759 4.621 11.039 1.00 30.22 H new ATOM 0 HD21 LEU B 782 4.222 4.835 8.387 1.00 10.50 H new ATOM 0 HD22 LEU B 782 4.755 3.282 9.074 1.00 10.50 H new ATOM 0 HD23 LEU B 782 3.038 3.540 8.682 1.00 10.50 H new ATOM 1888 N ILE B 783 2.097 6.069 13.092 1.00 10.30 N ATOM 1889 CA ILE B 783 1.185 7.183 12.930 1.00 63.14 C ATOM 1890 C ILE B 783 1.575 7.928 11.677 1.00 73.25 C ATOM 1891 O ILE B 783 2.737 8.304 11.511 1.00 10.31 O ATOM 1892 CB ILE B 783 1.161 8.194 14.143 1.00 24.51 C ATOM 1893 CG1 ILE B 783 0.644 7.546 15.453 1.00 10.14 C ATOM 1894 CG2 ILE B 783 0.318 9.441 13.808 1.00 2.12 C ATOM 1895 CD1 ILE B 783 1.546 6.491 16.066 1.00 22.32 C ATOM 0 H ILE B 783 2.976 6.304 13.552 1.00 10.30 H new ATOM 0 HA ILE B 783 0.181 6.763 12.873 1.00 63.14 H new ATOM 0 HB ILE B 783 2.196 8.492 14.311 1.00 24.51 H new ATOM 0 HG12 ILE B 783 0.486 8.334 16.189 1.00 10.14 H new ATOM 0 HG13 ILE B 783 -0.328 7.095 15.255 1.00 10.14 H new ATOM 0 HG21 ILE B 783 0.318 10.120 14.660 1.00 2.12 H new ATOM 0 HG22 ILE B 783 0.744 9.946 12.941 1.00 2.12 H new ATOM 0 HG23 ILE B 783 -0.705 9.139 13.585 1.00 2.12 H new ATOM 0 HD11 ILE B 783 1.088 6.105 16.977 1.00 22.32 H new ATOM 0 HD12 ILE B 783 1.686 5.675 15.357 1.00 22.32 H new ATOM 0 HD13 ILE B 783 2.513 6.934 16.305 1.00 22.32 H new ATOM 1907 N ILE B 784 0.642 8.124 10.806 1.00 34.04 N ATOM 1908 CA ILE B 784 0.902 8.810 9.596 1.00 2.41 C ATOM 1909 C ILE B 784 0.289 10.198 9.604 1.00 41.33 C ATOM 1910 O ILE B 784 1.043 11.161 9.846 1.00 37.37 O ATOM 1911 CB ILE B 784 0.548 7.993 8.324 1.00 74.43 C ATOM 1912 CG1 ILE B 784 -0.865 7.392 8.396 1.00 12.11 C ATOM 1913 CG2 ILE B 784 1.603 6.904 8.070 1.00 41.52 C ATOM 1914 CD1 ILE B 784 -1.280 6.681 7.128 1.00 72.23 C ATOM 1915 OXT ILE B 784 -0.934 10.349 9.382 1.00 37.37 O ATOM 0 H ILE B 784 -0.322 7.810 10.918 1.00 34.04 H new ATOM 0 HA ILE B 784 1.983 8.938 9.541 1.00 2.41 H new ATOM 0 HB ILE B 784 0.554 8.683 7.480 1.00 74.43 H new ATOM 0 HG12 ILE B 784 -0.911 6.691 9.229 1.00 12.11 H new ATOM 0 HG13 ILE B 784 -1.580 8.187 8.609 1.00 12.11 H new ATOM 0 HG21 ILE B 784 1.338 6.342 7.174 1.00 41.52 H new ATOM 0 HG22 ILE B 784 2.579 7.369 7.931 1.00 41.52 H new ATOM 0 HG23 ILE B 784 1.641 6.228 8.924 1.00 41.52 H new ATOM 0 HD11 ILE B 784 -2.287 6.281 7.248 1.00 72.23 H new ATOM 0 HD12 ILE B 784 -1.266 7.384 6.295 1.00 72.23 H new ATOM 0 HD13 ILE B 784 -0.587 5.864 6.925 1.00 72.23 H new