USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 601 SER OG : rot 180:sc= 0.0731 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 CYS SG : rot 77:sc= -0.108 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl -109:sc= -2.59 (180deg=-4.71!) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ -123:sc= 0.726 (180deg=-0.258) USER MOD Single : A 617 GLN : amide:sc= -0.296 K(o=-0.3,f=-2) USER MOD Single : A 619 SER OG : rot 53:sc= -0.827 USER MOD Single : A 623 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.29) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ -150:sc= -0.388 (180deg=-1.56!) USER MOD Single : A 635 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.0019) USER MOD Single : A 638 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.13) USER MOD Single : A 639 SER OG : rot 180:sc= 0 USER MOD Single : A 643 SER OG : rot 180:sc= 0 USER MOD Single : A 645 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 646 ASN : amide:sc= -0.201 K(o=-0.2,f=-0.8) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -2.7 K(o=-2.7,f=-1) USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 663 THR OG1 : rot 140:sc= -1.42 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 CYS SG : rot -160:sc= -0.459 USER MOD Single : A 677 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 678 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 389 THR OG1 : rot 11:sc= 0.824 USER MOD Single : B 393 GLN : amide:sc= 0.339 X(o=0.34,f=0) USER MOD Single : B 395 SER OG : rot 180:sc= 0.00473 USER MOD Single : B 396 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 397 ASN : amide:sc= -3.4 K(o=-3.4,f=-2.4) USER MOD Single : B 400 LYS NZ :NH3+ -179:sc= 0.245 (180deg=0.243) USER MOD Single : B 404 THR OG1 : rot 180:sc= -0.579 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -22.177 7.083 18.083 1.00 52.22 N ATOM 2 CA GLU A 600 -22.225 7.543 16.699 1.00 34.14 C ATOM 3 C GLU A 600 -21.006 7.058 15.922 1.00 61.25 C ATOM 4 O GLU A 600 -19.952 6.795 16.501 1.00 61.42 O ATOM 5 CB GLU A 600 -22.301 9.071 16.649 1.00 1.21 C ATOM 6 CG GLU A 600 -23.594 9.635 17.214 1.00 62.05 C ATOM 7 CD GLU A 600 -24.134 10.789 16.392 1.00 51.30 C ATOM 8 OE1 GLU A 600 -23.344 11.691 16.044 1.00 52.24 O ATOM 9 OE2 GLU A 600 -25.348 10.790 16.097 1.00 62.34 O ATOM 0 HA GLU A 600 -23.119 7.126 16.235 1.00 34.14 H new ATOM 0 HB2 GLU A 600 -21.460 9.487 17.204 1.00 1.21 H new ATOM 0 HB3 GLU A 600 -22.193 9.398 15.615 1.00 1.21 H new ATOM 0 HG2 GLU A 600 -24.342 8.844 17.259 1.00 62.05 H new ATOM 0 HG3 GLU A 600 -23.424 9.971 18.237 1.00 62.05 H new ATOM 16 N SER A 601 -21.158 6.941 14.606 1.00 23.22 N ATOM 17 CA SER A 601 -20.071 6.482 13.749 1.00 62.13 C ATOM 18 C SER A 601 -19.197 7.652 13.308 1.00 53.41 C ATOM 19 O SER A 601 -18.058 7.791 13.749 1.00 24.42 O ATOM 20 CB SER A 601 -20.632 5.758 12.523 1.00 45.10 C ATOM 21 OG SER A 601 -21.990 6.095 12.308 1.00 14.03 O ATOM 0 H SER A 601 -22.023 7.158 14.111 1.00 23.22 H new ATOM 0 HA SER A 601 -19.456 5.788 14.322 1.00 62.13 H new ATOM 0 HB2 SER A 601 -20.045 6.020 11.642 1.00 45.10 H new ATOM 0 HB3 SER A 601 -20.539 4.681 12.659 1.00 45.10 H new ATOM 0 HG SER A 601 -22.324 5.621 11.518 1.00 14.03 H new ATOM 27 N GLU A 602 -19.742 8.492 12.433 1.00 42.53 N ATOM 28 CA GLU A 602 -19.011 9.650 11.930 1.00 55.21 C ATOM 29 C GLU A 602 -17.655 9.235 11.368 1.00 10.33 C ATOM 30 O GLU A 602 -16.665 9.950 11.523 1.00 64.40 O ATOM 31 CB GLU A 602 -18.822 10.683 13.042 1.00 3.55 C ATOM 32 CG GLU A 602 -18.465 12.069 12.532 1.00 65.22 C ATOM 33 CD GLU A 602 -19.155 13.173 13.308 1.00 32.35 C ATOM 34 OE1 GLU A 602 -18.833 13.348 14.503 1.00 45.41 O ATOM 35 OE2 GLU A 602 -20.017 13.861 12.724 1.00 44.43 O ATOM 0 H GLU A 602 -20.685 8.393 12.058 1.00 42.53 H new ATOM 0 HA GLU A 602 -19.596 10.096 11.126 1.00 55.21 H new ATOM 0 HB2 GLU A 602 -19.739 10.746 13.628 1.00 3.55 H new ATOM 0 HB3 GLU A 602 -18.037 10.340 13.716 1.00 3.55 H new ATOM 0 HG2 GLU A 602 -17.386 12.207 12.593 1.00 65.22 H new ATOM 0 HG3 GLU A 602 -18.737 12.146 11.479 1.00 65.22 H new ATOM 42 N GLU A 603 -17.619 8.078 10.717 1.00 65.35 N ATOM 43 CA GLU A 603 -16.384 7.567 10.134 1.00 42.41 C ATOM 44 C GLU A 603 -16.625 6.237 9.426 1.00 4.44 C ATOM 45 O GLU A 603 -16.031 5.961 8.384 1.00 22.15 O ATOM 46 CB GLU A 603 -15.316 7.396 11.216 1.00 3.01 C ATOM 47 CG GLU A 603 -13.938 7.881 10.794 1.00 30.33 C ATOM 48 CD GLU A 603 -13.717 9.349 11.101 1.00 22.31 C ATOM 49 OE1 GLU A 603 -13.736 9.714 12.296 1.00 73.51 O ATOM 50 OE2 GLU A 603 -13.525 10.133 10.148 1.00 31.10 O ATOM 0 H GLU A 603 -18.431 7.476 10.580 1.00 65.35 H new ATOM 0 HA GLU A 603 -16.033 8.291 9.399 1.00 42.41 H new ATOM 0 HB2 GLU A 603 -15.625 7.939 12.109 1.00 3.01 H new ATOM 0 HB3 GLU A 603 -15.253 6.343 11.489 1.00 3.01 H new ATOM 0 HG2 GLU A 603 -13.177 7.289 11.302 1.00 30.33 H new ATOM 0 HG3 GLU A 603 -13.810 7.714 9.724 1.00 30.33 H new ATOM 57 N GLU A 604 -17.499 5.418 10.001 1.00 2.21 N ATOM 58 CA GLU A 604 -17.817 4.116 9.426 1.00 20.21 C ATOM 59 C GLU A 604 -18.260 4.257 7.972 1.00 24.13 C ATOM 60 O GLU A 604 -17.636 3.705 7.066 1.00 22.32 O ATOM 61 CB GLU A 604 -18.915 3.428 10.240 1.00 1.31 C ATOM 62 CG GLU A 604 -18.585 1.994 10.617 1.00 32.51 C ATOM 63 CD GLU A 604 -19.052 1.635 12.014 1.00 52.34 C ATOM 64 OE1 GLU A 604 -19.973 2.309 12.522 1.00 20.41 O ATOM 65 OE2 GLU A 604 -18.498 0.682 12.599 1.00 21.04 O ATOM 0 H GLU A 604 -17.999 5.632 10.864 1.00 2.21 H new ATOM 0 HA GLU A 604 -16.915 3.504 9.456 1.00 20.21 H new ATOM 0 HB2 GLU A 604 -19.095 4.002 11.149 1.00 1.31 H new ATOM 0 HB3 GLU A 604 -19.842 3.440 9.667 1.00 1.31 H new ATOM 0 HG2 GLU A 604 -19.048 1.318 9.898 1.00 32.51 H new ATOM 0 HG3 GLU A 604 -17.508 1.843 10.548 1.00 32.51 H new ATOM 72 N ASP A 605 -19.341 4.999 7.758 1.00 43.42 N ATOM 73 CA ASP A 605 -19.867 5.214 6.415 1.00 31.00 C ATOM 74 C ASP A 605 -18.798 5.800 5.499 1.00 21.34 C ATOM 75 O ASP A 605 -18.747 5.490 4.309 1.00 50.52 O ATOM 76 CB ASP A 605 -21.081 6.144 6.463 1.00 21.43 C ATOM 77 CG ASP A 605 -21.898 6.096 5.187 1.00 65.40 C ATOM 78 OD1 ASP A 605 -22.188 4.978 4.710 1.00 20.04 O ATOM 79 OD2 ASP A 605 -22.245 7.175 4.664 1.00 64.53 O ATOM 0 H ASP A 605 -19.870 5.462 8.497 1.00 43.42 H new ATOM 0 HA ASP A 605 -20.174 4.248 6.013 1.00 31.00 H new ATOM 0 HB2 ASP A 605 -21.714 5.868 7.307 1.00 21.43 H new ATOM 0 HB3 ASP A 605 -20.745 7.166 6.638 1.00 21.43 H new ATOM 84 N LYS A 606 -17.944 6.649 6.061 1.00 32.45 N ATOM 85 CA LYS A 606 -16.874 7.279 5.297 1.00 13.04 C ATOM 86 C LYS A 606 -15.862 6.242 4.822 1.00 41.14 C ATOM 87 O LYS A 606 -15.243 6.402 3.769 1.00 41.33 O ATOM 88 CB LYS A 606 -16.172 8.342 6.144 1.00 13.42 C ATOM 89 CG LYS A 606 -16.436 9.764 5.677 1.00 31.15 C ATOM 90 CD LYS A 606 -17.278 10.533 6.682 1.00 42.11 C ATOM 91 CE LYS A 606 -17.950 11.737 6.039 1.00 20.02 C ATOM 92 NZ LYS A 606 -16.966 12.793 5.676 1.00 73.14 N ATOM 0 H LYS A 606 -17.973 6.917 7.045 1.00 32.45 H new ATOM 0 HA LYS A 606 -17.318 7.755 4.423 1.00 13.04 H new ATOM 0 HB2 LYS A 606 -16.497 8.242 7.180 1.00 13.42 H new ATOM 0 HB3 LYS A 606 -15.098 8.157 6.128 1.00 13.42 H new ATOM 0 HG2 LYS A 606 -15.488 10.280 5.525 1.00 31.15 H new ATOM 0 HG3 LYS A 606 -16.946 9.743 4.714 1.00 31.15 H new ATOM 0 HD2 LYS A 606 -18.037 9.873 7.103 1.00 42.11 H new ATOM 0 HD3 LYS A 606 -16.649 10.864 7.508 1.00 42.11 H new ATOM 0 HE2 LYS A 606 -18.487 11.419 5.146 1.00 20.02 H new ATOM 0 HE3 LYS A 606 -18.689 12.150 6.725 1.00 20.02 H new ATOM 0 HZ1 LYS A 606 -17.463 13.596 5.241 1.00 73.14 H new ATOM 0 HZ2 LYS A 606 -16.471 13.115 6.532 1.00 73.14 H new ATOM 0 HZ3 LYS A 606 -16.275 12.407 5.001 1.00 73.14 H new ATOM 106 N CYS A 607 -15.699 5.180 5.603 1.00 44.23 N ATOM 107 CA CYS A 607 -14.761 4.116 5.261 1.00 5.41 C ATOM 108 C CYS A 607 -15.447 3.031 4.438 1.00 22.54 C ATOM 109 O CYS A 607 -16.229 2.239 4.963 1.00 31.12 O ATOM 110 CB CYS A 607 -14.161 3.509 6.530 1.00 13.55 C ATOM 111 SG CYS A 607 -13.058 4.622 7.432 1.00 51.43 S ATOM 0 H CYS A 607 -16.204 5.032 6.477 1.00 44.23 H new ATOM 0 HA CYS A 607 -13.960 4.549 4.662 1.00 5.41 H new ATOM 0 HB2 CYS A 607 -14.971 3.203 7.192 1.00 13.55 H new ATOM 0 HB3 CYS A 607 -13.610 2.607 6.263 1.00 13.55 H new ATOM 0 HG CYS A 607 -13.764 5.495 8.088 1.00 51.43 H new ATOM 117 N LYS A 608 -15.148 3.001 3.143 1.00 55.11 N ATOM 118 CA LYS A 608 -15.736 2.014 2.246 1.00 64.51 C ATOM 119 C LYS A 608 -14.787 0.838 2.034 1.00 40.24 C ATOM 120 O LYS A 608 -13.571 0.956 2.187 1.00 20.31 O ATOM 121 CB LYS A 608 -16.077 2.657 0.900 1.00 74.42 C ATOM 122 CG LYS A 608 -17.281 3.582 0.956 1.00 61.34 C ATOM 123 CD LYS A 608 -18.537 2.838 1.378 1.00 54.42 C ATOM 124 CE LYS A 608 -19.792 3.529 0.868 1.00 44.11 C ATOM 125 NZ LYS A 608 -20.841 3.622 1.920 1.00 75.32 N ATOM 0 H LYS A 608 -14.502 3.649 2.692 1.00 55.11 H new ATOM 0 HA LYS A 608 -16.651 1.641 2.706 1.00 64.51 H new ATOM 0 HB2 LYS A 608 -15.213 3.220 0.546 1.00 74.42 H new ATOM 0 HB3 LYS A 608 -16.267 1.871 0.169 1.00 74.42 H new ATOM 0 HG2 LYS A 608 -17.085 4.394 1.657 1.00 61.34 H new ATOM 0 HG3 LYS A 608 -17.438 4.036 -0.022 1.00 61.34 H new ATOM 0 HD2 LYS A 608 -18.502 1.817 0.997 1.00 54.42 H new ATOM 0 HD3 LYS A 608 -18.574 2.771 2.465 1.00 54.42 H new ATOM 0 HE2 LYS A 608 -19.539 4.530 0.518 1.00 44.11 H new ATOM 0 HE3 LYS A 608 -20.185 2.982 0.011 1.00 44.11 H new ATOM 0 HZ1 LYS A 608 -21.680 4.099 1.533 1.00 75.32 H new ATOM 0 HZ2 LYS A 608 -21.101 2.666 2.236 1.00 75.32 H new ATOM 0 HZ3 LYS A 608 -20.476 4.166 2.728 1.00 75.32 H new ATOM 139 N PRO A 609 -15.352 -0.323 1.669 1.00 1.50 N ATOM 140 CA PRO A 609 -14.573 -1.540 1.425 1.00 22.02 C ATOM 141 C PRO A 609 -13.726 -1.443 0.161 1.00 33.04 C ATOM 142 O PRO A 609 -14.016 -0.648 -0.733 1.00 74.21 O ATOM 143 CB PRO A 609 -15.645 -2.621 1.269 1.00 54.01 C ATOM 144 CG PRO A 609 -16.859 -1.888 0.813 1.00 13.54 C ATOM 145 CD PRO A 609 -16.795 -0.535 1.466 1.00 64.00 C ATOM 0 HA PRO A 609 -13.863 -1.737 2.228 1.00 22.02 H new ATOM 0 HB2 PRO A 609 -15.343 -3.376 0.544 1.00 54.01 H new ATOM 0 HB3 PRO A 609 -15.826 -3.138 2.211 1.00 54.01 H new ATOM 0 HG2 PRO A 609 -16.875 -1.797 -0.273 1.00 13.54 H new ATOM 0 HG3 PRO A 609 -17.767 -2.418 1.102 1.00 13.54 H new ATOM 0 HD2 PRO A 609 -17.230 0.238 0.832 1.00 64.00 H new ATOM 0 HD3 PRO A 609 -17.340 -0.518 2.410 1.00 64.00 H new ATOM 153 N MET A 610 -12.677 -2.257 0.093 1.00 12.41 N ATOM 154 CA MET A 610 -11.789 -2.263 -1.063 1.00 62.11 C ATOM 155 C MET A 610 -11.601 -3.680 -1.597 1.00 52.34 C ATOM 156 O MET A 610 -11.264 -4.595 -0.847 1.00 72.44 O ATOM 157 CB MET A 610 -10.432 -1.661 -0.694 1.00 42.43 C ATOM 158 CG MET A 610 -10.530 -0.277 -0.072 1.00 74.20 C ATOM 159 SD MET A 610 -10.182 1.042 -1.251 1.00 15.12 S ATOM 160 CE MET A 610 -8.503 0.639 -1.723 1.00 65.14 C ATOM 0 H MET A 610 -12.422 -2.920 0.825 1.00 12.41 H new ATOM 0 HA MET A 610 -12.247 -1.657 -1.844 1.00 62.11 H new ATOM 0 HB2 MET A 610 -9.925 -2.328 0.003 1.00 42.43 H new ATOM 0 HB3 MET A 610 -9.813 -1.605 -1.589 1.00 42.43 H new ATOM 0 HG2 MET A 610 -11.530 -0.138 0.338 1.00 74.20 H new ATOM 0 HG3 MET A 610 -9.831 -0.207 0.762 1.00 74.20 H new ATOM 0 HE1 MET A 610 -7.820 1.377 -1.303 1.00 65.14 H new ATOM 0 HE2 MET A 610 -8.246 -0.350 -1.344 1.00 65.14 H new ATOM 0 HE3 MET A 610 -8.419 0.644 -2.810 1.00 65.14 H new ATOM 170 N SER A 611 -11.821 -3.852 -2.896 1.00 54.22 N ATOM 171 CA SER A 611 -11.681 -5.158 -3.529 1.00 62.43 C ATOM 172 C SER A 611 -10.296 -5.315 -4.151 1.00 0.52 C ATOM 173 O SER A 611 -9.474 -4.400 -4.098 1.00 65.21 O ATOM 174 CB SER A 611 -12.757 -5.348 -4.600 1.00 30.21 C ATOM 175 OG SER A 611 -14.002 -5.689 -4.016 1.00 71.22 O ATOM 0 H SER A 611 -12.097 -3.103 -3.531 1.00 54.22 H new ATOM 0 HA SER A 611 -11.804 -5.921 -2.761 1.00 62.43 H new ATOM 0 HB2 SER A 611 -12.863 -4.432 -5.181 1.00 30.21 H new ATOM 0 HB3 SER A 611 -12.450 -6.131 -5.293 1.00 30.21 H new ATOM 0 HG SER A 611 -14.673 -5.803 -4.721 1.00 71.22 H new ATOM 181 N TYR A 612 -10.047 -6.479 -4.738 1.00 44.31 N ATOM 182 CA TYR A 612 -8.761 -6.758 -5.368 1.00 4.15 C ATOM 183 C TYR A 612 -8.568 -5.900 -6.615 1.00 22.34 C ATOM 184 O TYR A 612 -7.442 -5.583 -6.994 1.00 71.31 O ATOM 185 CB TYR A 612 -8.659 -8.239 -5.732 1.00 44.14 C ATOM 186 CG TYR A 612 -9.838 -8.750 -6.527 1.00 71.42 C ATOM 187 CD1 TYR A 612 -9.921 -8.539 -7.898 1.00 12.11 C ATOM 188 CD2 TYR A 612 -10.871 -9.443 -5.908 1.00 74.10 C ATOM 189 CE1 TYR A 612 -10.998 -9.004 -8.629 1.00 10.32 C ATOM 190 CE2 TYR A 612 -11.951 -9.912 -6.630 1.00 71.35 C ATOM 191 CZ TYR A 612 -12.010 -9.689 -7.990 1.00 71.42 C ATOM 192 OH TYR A 612 -13.085 -10.155 -8.714 1.00 1.32 O ATOM 0 H TYR A 612 -10.718 -7.245 -4.791 1.00 44.31 H new ATOM 0 HA TYR A 612 -7.974 -6.512 -4.655 1.00 4.15 H new ATOM 0 HB2 TYR A 612 -7.747 -8.401 -6.306 1.00 44.14 H new ATOM 0 HB3 TYR A 612 -8.568 -8.824 -4.817 1.00 44.14 H new ATOM 0 HD1 TYR A 612 -9.130 -8.002 -8.401 1.00 12.11 H new ATOM 0 HD2 TYR A 612 -10.829 -9.618 -4.843 1.00 74.10 H new ATOM 0 HE1 TYR A 612 -11.047 -8.832 -9.694 1.00 10.32 H new ATOM 0 HE2 TYR A 612 -12.745 -10.450 -6.133 1.00 71.35 H new ATOM 0 HH TYR A 612 -13.708 -10.616 -8.114 1.00 1.32 H new ATOM 202 N GLU A 613 -9.678 -5.529 -7.248 1.00 24.15 N ATOM 203 CA GLU A 613 -9.631 -4.710 -8.452 1.00 14.22 C ATOM 204 C GLU A 613 -8.871 -3.410 -8.198 1.00 34.35 C ATOM 205 O GLU A 613 -7.847 -3.146 -8.826 1.00 41.42 O ATOM 206 CB GLU A 613 -11.048 -4.397 -8.938 1.00 32.21 C ATOM 207 CG GLU A 613 -11.295 -4.790 -10.385 1.00 62.33 C ATOM 208 CD GLU A 613 -12.601 -5.538 -10.572 1.00 35.35 C ATOM 209 OE1 GLU A 613 -12.730 -6.650 -10.019 1.00 34.34 O ATOM 210 OE2 GLU A 613 -13.492 -5.012 -11.270 1.00 34.03 O ATOM 0 H GLU A 613 -10.619 -5.783 -6.946 1.00 24.15 H new ATOM 0 HA GLU A 613 -9.105 -5.274 -9.223 1.00 14.22 H new ATOM 0 HB2 GLU A 613 -11.764 -4.916 -8.302 1.00 32.21 H new ATOM 0 HB3 GLU A 613 -11.235 -3.329 -8.823 1.00 32.21 H new ATOM 0 HG2 GLU A 613 -11.302 -3.893 -11.005 1.00 62.33 H new ATOM 0 HG3 GLU A 613 -10.471 -5.412 -10.734 1.00 62.33 H new ATOM 217 N GLU A 614 -9.382 -2.605 -7.271 1.00 34.10 N ATOM 218 CA GLU A 614 -8.753 -1.334 -6.935 1.00 1.12 C ATOM 219 C GLU A 614 -7.389 -1.556 -6.287 1.00 41.12 C ATOM 220 O GLU A 614 -6.489 -0.724 -6.406 1.00 41.42 O ATOM 221 CB GLU A 614 -9.650 -0.528 -5.993 1.00 60.32 C ATOM 222 CG GLU A 614 -10.412 0.590 -6.687 1.00 25.15 C ATOM 223 CD GLU A 614 -11.732 0.125 -7.268 1.00 21.34 C ATOM 224 OE1 GLU A 614 -11.762 -0.969 -7.871 1.00 22.12 O ATOM 225 OE2 GLU A 614 -12.735 0.852 -7.119 1.00 74.12 O ATOM 0 H GLU A 614 -10.229 -2.811 -6.741 1.00 34.10 H new ATOM 0 HA GLU A 614 -8.611 -0.774 -7.859 1.00 1.12 H new ATOM 0 HB2 GLU A 614 -10.363 -1.202 -5.518 1.00 60.32 H new ATOM 0 HB3 GLU A 614 -9.038 -0.101 -5.199 1.00 60.32 H new ATOM 0 HG2 GLU A 614 -10.596 1.395 -5.975 1.00 25.15 H new ATOM 0 HG3 GLU A 614 -9.795 1.005 -7.484 1.00 25.15 H new ATOM 232 N LYS A 615 -7.243 -2.685 -5.603 1.00 12.04 N ATOM 233 CA LYS A 615 -5.989 -3.020 -4.936 1.00 54.20 C ATOM 234 C LYS A 615 -4.880 -3.264 -5.954 1.00 11.11 C ATOM 235 O LYS A 615 -3.866 -2.567 -5.959 1.00 42.01 O ATOM 236 CB LYS A 615 -6.171 -4.259 -4.057 1.00 0.14 C ATOM 237 CG LYS A 615 -6.818 -3.962 -2.714 1.00 55.13 C ATOM 238 CD LYS A 615 -7.434 -5.211 -2.105 1.00 52.42 C ATOM 239 CE LYS A 615 -8.287 -4.876 -0.891 1.00 52.23 C ATOM 240 NZ LYS A 615 -8.957 -6.083 -0.333 1.00 64.02 N ATOM 0 H LYS A 615 -7.977 -3.385 -5.495 1.00 12.04 H new ATOM 0 HA LYS A 615 -5.703 -2.176 -4.309 1.00 54.20 H new ATOM 0 HB2 LYS A 615 -6.781 -4.987 -4.592 1.00 0.14 H new ATOM 0 HB3 LYS A 615 -5.198 -4.721 -3.888 1.00 0.14 H new ATOM 0 HG2 LYS A 615 -6.072 -3.553 -2.032 1.00 55.13 H new ATOM 0 HG3 LYS A 615 -7.587 -3.200 -2.840 1.00 55.13 H new ATOM 0 HD2 LYS A 615 -8.045 -5.718 -2.852 1.00 52.42 H new ATOM 0 HD3 LYS A 615 -6.644 -5.904 -1.816 1.00 52.42 H new ATOM 0 HE2 LYS A 615 -7.662 -4.420 -0.123 1.00 52.23 H new ATOM 0 HE3 LYS A 615 -9.040 -4.139 -1.169 1.00 52.23 H new ATOM 0 HZ1 LYS A 615 -9.986 -5.932 -0.315 1.00 64.02 H new ATOM 0 HZ2 LYS A 615 -8.739 -6.908 -0.928 1.00 64.02 H new ATOM 0 HZ3 LYS A 615 -8.615 -6.254 0.634 1.00 64.02 H new ATOM 254 N ARG A 616 -5.082 -4.257 -6.815 1.00 51.32 N ATOM 255 CA ARG A 616 -4.099 -4.592 -7.838 1.00 12.30 C ATOM 256 C ARG A 616 -3.660 -3.345 -8.600 1.00 73.12 C ATOM 257 O ARG A 616 -2.543 -3.280 -9.111 1.00 1.53 O ATOM 258 CB ARG A 616 -4.675 -5.622 -8.812 1.00 25.04 C ATOM 259 CG ARG A 616 -5.509 -5.009 -9.924 1.00 13.33 C ATOM 260 CD ARG A 616 -4.670 -4.732 -11.162 1.00 31.40 C ATOM 261 NE ARG A 616 -4.873 -5.743 -12.197 1.00 23.25 N ATOM 262 CZ ARG A 616 -4.457 -5.606 -13.450 1.00 24.00 C ATOM 263 NH1 ARG A 616 -3.818 -4.505 -13.823 1.00 63.02 N ATOM 264 NH2 ARG A 616 -4.679 -6.571 -14.334 1.00 43.51 N ATOM 0 H ARG A 616 -5.917 -4.843 -6.824 1.00 51.32 H new ATOM 0 HA ARG A 616 -3.227 -5.019 -7.342 1.00 12.30 H new ATOM 0 HB2 ARG A 616 -3.856 -6.189 -9.254 1.00 25.04 H new ATOM 0 HB3 ARG A 616 -5.290 -6.330 -8.257 1.00 25.04 H new ATOM 0 HG2 ARG A 616 -6.327 -5.683 -10.181 1.00 13.33 H new ATOM 0 HG3 ARG A 616 -5.959 -4.080 -9.573 1.00 13.33 H new ATOM 0 HD2 ARG A 616 -4.924 -3.750 -11.560 1.00 31.40 H new ATOM 0 HD3 ARG A 616 -3.616 -4.702 -10.886 1.00 31.40 H new ATOM 0 HE ARG A 616 -5.361 -6.602 -11.943 1.00 23.25 H new ATOM 0 HH11 ARG A 616 -3.645 -3.761 -13.146 1.00 63.02 H new ATOM 0 HH12 ARG A 616 -3.499 -4.402 -14.786 1.00 63.02 H new ATOM 0 HH21 ARG A 616 -5.170 -7.419 -14.051 1.00 43.51 H new ATOM 0 HH22 ARG A 616 -4.359 -6.464 -15.297 1.00 43.51 H new ATOM 278 N GLN A 617 -4.550 -2.360 -8.674 1.00 3.14 N ATOM 279 CA GLN A 617 -4.255 -1.116 -9.376 1.00 4.24 C ATOM 280 C GLN A 617 -3.333 -0.229 -8.545 1.00 45.34 C ATOM 281 O GLN A 617 -2.394 0.373 -9.070 1.00 25.32 O ATOM 282 CB GLN A 617 -5.549 -0.367 -9.697 1.00 62.51 C ATOM 283 CG GLN A 617 -5.329 1.080 -10.107 1.00 72.24 C ATOM 284 CD GLN A 617 -4.452 1.211 -11.338 1.00 32.44 C ATOM 285 OE1 GLN A 617 -4.219 0.237 -12.054 1.00 30.43 O ATOM 286 NE2 GLN A 617 -3.961 2.418 -11.589 1.00 35.14 N ATOM 0 H GLN A 617 -5.480 -2.399 -8.257 1.00 3.14 H new ATOM 0 HA GLN A 617 -3.748 -1.365 -10.308 1.00 4.24 H new ATOM 0 HB2 GLN A 617 -6.071 -0.888 -10.500 1.00 62.51 H new ATOM 0 HB3 GLN A 617 -6.200 -0.393 -8.823 1.00 62.51 H new ATOM 0 HG2 GLN A 617 -6.293 1.549 -10.301 1.00 72.24 H new ATOM 0 HG3 GLN A 617 -4.871 1.622 -9.280 1.00 72.24 H new ATOM 0 HE21 GLN A 617 -4.180 3.197 -10.968 1.00 35.14 H new ATOM 0 HE22 GLN A 617 -3.364 2.567 -12.403 1.00 35.14 H new ATOM 295 N LEU A 618 -3.605 -0.150 -7.248 1.00 14.52 N ATOM 296 CA LEU A 618 -2.801 0.665 -6.344 1.00 63.02 C ATOM 297 C LEU A 618 -1.390 0.101 -6.214 1.00 5.51 C ATOM 298 O LEU A 618 -0.425 0.848 -6.053 1.00 23.32 O ATOM 299 CB LEU A 618 -3.463 0.739 -4.967 1.00 25.04 C ATOM 300 CG LEU A 618 -3.024 -0.320 -3.954 1.00 2.32 C ATOM 301 CD1 LEU A 618 -1.781 0.139 -3.206 1.00 54.11 C ATOM 302 CD2 LEU A 618 -4.153 -0.625 -2.980 1.00 41.42 C ATOM 0 H LEU A 618 -4.377 -0.641 -6.798 1.00 14.52 H new ATOM 0 HA LEU A 618 -2.734 1.670 -6.761 1.00 63.02 H new ATOM 0 HB2 LEU A 618 -3.265 1.723 -4.543 1.00 25.04 H new ATOM 0 HB3 LEU A 618 -4.542 0.661 -5.100 1.00 25.04 H new ATOM 0 HG LEU A 618 -2.780 -1.234 -4.495 1.00 2.32 H new ATOM 0 HD11 LEU A 618 -1.484 -0.627 -2.490 1.00 54.11 H new ATOM 0 HD12 LEU A 618 -0.971 0.307 -3.915 1.00 54.11 H new ATOM 0 HD13 LEU A 618 -1.997 1.067 -2.676 1.00 54.11 H new ATOM 0 HD21 LEU A 618 -3.824 -1.380 -2.266 1.00 41.42 H new ATOM 0 HD22 LEU A 618 -4.428 0.284 -2.445 1.00 41.42 H new ATOM 0 HD23 LEU A 618 -5.017 -0.998 -3.530 1.00 41.42 H new ATOM 314 N SER A 619 -1.278 -1.221 -6.286 1.00 25.33 N ATOM 315 CA SER A 619 0.016 -1.886 -6.174 1.00 33.30 C ATOM 316 C SER A 619 0.933 -1.487 -7.326 1.00 60.15 C ATOM 317 O SER A 619 2.082 -1.098 -7.114 1.00 71.24 O ATOM 318 CB SER A 619 -0.167 -3.404 -6.155 1.00 71.30 C ATOM 319 OG SER A 619 -1.327 -3.787 -6.874 1.00 23.33 O ATOM 0 H SER A 619 -2.067 -1.853 -6.421 1.00 25.33 H new ATOM 0 HA SER A 619 0.479 -1.572 -5.239 1.00 33.30 H new ATOM 0 HB2 SER A 619 0.709 -3.885 -6.590 1.00 71.30 H new ATOM 0 HB3 SER A 619 -0.243 -3.751 -5.125 1.00 71.30 H new ATOM 0 HG SER A 619 -1.301 -3.393 -7.771 1.00 23.33 H new ATOM 325 N LEU A 620 0.416 -1.588 -8.547 1.00 4.45 N ATOM 326 CA LEU A 620 1.187 -1.237 -9.734 1.00 63.20 C ATOM 327 C LEU A 620 1.307 0.276 -9.879 1.00 44.42 C ATOM 328 O LEU A 620 2.385 0.798 -10.166 1.00 53.33 O ATOM 329 CB LEU A 620 0.534 -1.831 -10.984 1.00 34.22 C ATOM 330 CG LEU A 620 1.120 -1.386 -12.323 1.00 41.45 C ATOM 331 CD1 LEU A 620 2.413 -2.131 -12.615 1.00 22.11 C ATOM 332 CD2 LEU A 620 0.114 -1.602 -13.444 1.00 65.52 C ATOM 0 H LEU A 620 -0.533 -1.910 -8.740 1.00 4.45 H new ATOM 0 HA LEU A 620 2.189 -1.652 -9.622 1.00 63.20 H new ATOM 0 HB2 LEU A 620 0.602 -2.917 -10.924 1.00 34.22 H new ATOM 0 HB3 LEU A 620 -0.526 -1.577 -10.972 1.00 34.22 H new ATOM 0 HG LEU A 620 1.344 -0.321 -12.263 1.00 41.45 H new ATOM 0 HD11 LEU A 620 2.815 -1.800 -13.573 1.00 22.11 H new ATOM 0 HD12 LEU A 620 3.137 -1.925 -11.827 1.00 22.11 H new ATOM 0 HD13 LEU A 620 2.215 -3.202 -12.655 1.00 22.11 H new ATOM 0 HD21 LEU A 620 0.549 -1.279 -14.390 1.00 65.52 H new ATOM 0 HD22 LEU A 620 -0.142 -2.660 -13.504 1.00 65.52 H new ATOM 0 HD23 LEU A 620 -0.786 -1.022 -13.242 1.00 65.52 H new ATOM 344 N ASP A 621 0.196 0.974 -9.677 1.00 1.41 N ATOM 345 CA ASP A 621 0.178 2.429 -9.782 1.00 34.22 C ATOM 346 C ASP A 621 1.307 3.048 -8.964 1.00 61.53 C ATOM 347 O ASP A 621 2.181 3.722 -9.507 1.00 45.45 O ATOM 348 CB ASP A 621 -1.171 2.978 -9.311 1.00 25.32 C ATOM 349 CG ASP A 621 -1.291 4.474 -9.520 1.00 11.54 C ATOM 350 OD1 ASP A 621 -0.318 5.086 -10.011 1.00 51.23 O ATOM 351 OD2 ASP A 621 -2.358 5.035 -9.193 1.00 41.32 O ATOM 0 H ASP A 621 -0.704 0.557 -9.440 1.00 1.41 H new ATOM 0 HA ASP A 621 0.325 2.695 -10.829 1.00 34.22 H new ATOM 0 HB2 ASP A 621 -1.973 2.473 -9.849 1.00 25.32 H new ATOM 0 HB3 ASP A 621 -1.304 2.750 -8.253 1.00 25.32 H new ATOM 356 N ILE A 622 1.280 2.813 -7.656 1.00 53.30 N ATOM 357 CA ILE A 622 2.301 3.348 -6.764 1.00 41.01 C ATOM 358 C ILE A 622 3.697 2.927 -7.212 1.00 3.33 C ATOM 359 O ILE A 622 4.658 3.683 -7.076 1.00 11.01 O ATOM 360 CB ILE A 622 2.079 2.885 -5.312 1.00 12.50 C ATOM 361 CG1 ILE A 622 0.720 3.368 -4.802 1.00 53.34 C ATOM 362 CG2 ILE A 622 3.198 3.394 -4.417 1.00 11.40 C ATOM 363 CD1 ILE A 622 0.364 2.836 -3.432 1.00 61.31 C ATOM 0 H ILE A 622 0.563 2.256 -7.191 1.00 53.30 H new ATOM 0 HA ILE A 622 2.220 4.434 -6.807 1.00 41.01 H new ATOM 0 HB ILE A 622 2.089 1.795 -5.288 1.00 12.50 H new ATOM 0 HG12 ILE A 622 0.719 4.458 -4.771 1.00 53.34 H new ATOM 0 HG13 ILE A 622 -0.052 3.069 -5.511 1.00 53.34 H new ATOM 0 HG21 ILE A 622 3.027 3.059 -3.394 1.00 11.40 H new ATOM 0 HG22 ILE A 622 4.153 3.005 -4.771 1.00 11.40 H new ATOM 0 HG23 ILE A 622 3.218 4.484 -4.443 1.00 11.40 H new ATOM 0 HD11 ILE A 622 -0.612 3.220 -3.135 1.00 61.31 H new ATOM 0 HD12 ILE A 622 0.332 1.747 -3.462 1.00 61.31 H new ATOM 0 HD13 ILE A 622 1.115 3.157 -2.710 1.00 61.31 H new ATOM 375 N ASN A 623 3.800 1.715 -7.748 1.00 11.21 N ATOM 376 CA ASN A 623 5.078 1.193 -8.218 1.00 11.10 C ATOM 377 C ASN A 623 5.630 2.048 -9.354 1.00 1.13 C ATOM 378 O ASN A 623 6.841 2.246 -9.466 1.00 60.42 O ATOM 379 CB ASN A 623 4.921 -0.255 -8.685 1.00 33.34 C ATOM 380 CG ASN A 623 6.254 -0.916 -8.981 1.00 3.34 C ATOM 381 OD1 ASN A 623 6.437 -1.522 -10.036 1.00 2.04 O ATOM 382 ND2 ASN A 623 7.192 -0.799 -8.049 1.00 33.25 N ATOM 0 H ASN A 623 3.014 1.076 -7.868 1.00 11.21 H new ATOM 0 HA ASN A 623 5.783 1.225 -7.387 1.00 11.10 H new ATOM 0 HB2 ASN A 623 4.398 -0.826 -7.918 1.00 33.34 H new ATOM 0 HB3 ASN A 623 4.300 -0.280 -9.580 1.00 33.34 H new ATOM 0 HD21 ASN A 623 8.109 -1.221 -8.193 1.00 33.25 H new ATOM 0 HD22 ASN A 623 6.995 -0.287 -7.189 1.00 33.25 H new ATOM 389 N LYS A 624 4.735 2.554 -10.195 1.00 4.02 N ATOM 390 CA LYS A 624 5.130 3.390 -11.322 1.00 65.15 C ATOM 391 C LYS A 624 5.657 4.739 -10.842 1.00 72.54 C ATOM 392 O LYS A 624 6.497 5.358 -11.496 1.00 74.05 O ATOM 393 CB LYS A 624 3.946 3.601 -12.268 1.00 70.32 C ATOM 394 CG LYS A 624 4.329 3.583 -13.738 1.00 0.11 C ATOM 395 CD LYS A 624 3.292 4.291 -14.593 1.00 64.32 C ATOM 396 CE LYS A 624 3.759 5.679 -15.002 1.00 4.11 C ATOM 397 NZ LYS A 624 2.644 6.503 -15.545 1.00 61.53 N ATOM 0 H LYS A 624 3.730 2.399 -10.117 1.00 4.02 H new ATOM 0 HA LYS A 624 5.929 2.878 -11.858 1.00 65.15 H new ATOM 0 HB2 LYS A 624 3.203 2.824 -12.085 1.00 70.32 H new ATOM 0 HB3 LYS A 624 3.473 4.555 -12.036 1.00 70.32 H new ATOM 0 HG2 LYS A 624 5.299 4.064 -13.868 1.00 0.11 H new ATOM 0 HG3 LYS A 624 4.437 2.552 -14.074 1.00 0.11 H new ATOM 0 HD2 LYS A 624 3.088 3.698 -15.484 1.00 64.32 H new ATOM 0 HD3 LYS A 624 2.356 4.369 -14.040 1.00 64.32 H new ATOM 0 HE2 LYS A 624 4.197 6.183 -14.140 1.00 4.11 H new ATOM 0 HE3 LYS A 624 4.544 5.591 -15.753 1.00 4.11 H new ATOM 0 HZ1 LYS A 624 3.004 7.441 -15.812 1.00 61.53 H new ATOM 0 HZ2 LYS A 624 2.242 6.035 -16.382 1.00 61.53 H new ATOM 0 HZ3 LYS A 624 1.906 6.609 -14.820 1.00 61.53 H new ATOM 411 N LEU A 625 5.160 5.187 -9.695 1.00 53.10 N ATOM 412 CA LEU A 625 5.582 6.463 -9.125 1.00 75.11 C ATOM 413 C LEU A 625 6.967 6.347 -8.497 1.00 41.52 C ATOM 414 O LEU A 625 7.447 5.255 -8.191 1.00 4.42 O ATOM 415 CB LEU A 625 4.572 6.935 -8.078 1.00 31.14 C ATOM 416 CG LEU A 625 3.356 7.693 -8.611 1.00 14.31 C ATOM 417 CD1 LEU A 625 3.782 9.009 -9.244 1.00 22.31 C ATOM 418 CD2 LEU A 625 2.593 6.839 -9.614 1.00 10.13 C ATOM 0 H LEU A 625 4.465 4.687 -9.141 1.00 53.10 H new ATOM 0 HA LEU A 625 5.629 7.195 -9.931 1.00 75.11 H new ATOM 0 HB2 LEU A 625 4.219 6.065 -7.525 1.00 31.14 H new ATOM 0 HB3 LEU A 625 5.091 7.576 -7.365 1.00 31.14 H new ATOM 0 HG LEU A 625 2.694 7.914 -7.774 1.00 14.31 H new ATOM 0 HD11 LEU A 625 2.903 9.534 -9.618 1.00 22.31 H new ATOM 0 HD12 LEU A 625 4.284 9.626 -8.498 1.00 22.31 H new ATOM 0 HD13 LEU A 625 4.465 8.811 -10.070 1.00 22.31 H new ATOM 0 HD21 LEU A 625 1.731 7.394 -9.983 1.00 10.13 H new ATOM 0 HD22 LEU A 625 3.247 6.587 -10.449 1.00 10.13 H new ATOM 0 HD23 LEU A 625 2.254 5.923 -9.129 1.00 10.13 H new ATOM 430 N PRO A 626 7.625 7.499 -8.298 1.00 75.13 N ATOM 431 CA PRO A 626 8.963 7.553 -7.702 1.00 15.41 C ATOM 432 C PRO A 626 8.953 7.189 -6.222 1.00 12.24 C ATOM 433 O PRO A 626 7.900 7.169 -5.584 1.00 64.24 O ATOM 434 CB PRO A 626 9.376 9.015 -7.891 1.00 13.04 C ATOM 435 CG PRO A 626 8.090 9.765 -7.973 1.00 70.03 C ATOM 436 CD PRO A 626 7.112 8.837 -8.639 1.00 64.25 C ATOM 0 HA PRO A 626 9.645 6.840 -8.165 1.00 15.41 H new ATOM 0 HB2 PRO A 626 9.986 9.365 -7.058 1.00 13.04 H new ATOM 0 HB3 PRO A 626 9.969 9.145 -8.797 1.00 13.04 H new ATOM 0 HG2 PRO A 626 7.742 10.052 -6.981 1.00 70.03 H new ATOM 0 HG3 PRO A 626 8.210 10.684 -8.547 1.00 70.03 H new ATOM 0 HD2 PRO A 626 6.099 8.986 -8.266 1.00 64.25 H new ATOM 0 HD3 PRO A 626 7.081 8.993 -9.717 1.00 64.25 H new ATOM 444 N GLY A 627 10.133 6.903 -5.679 1.00 32.44 N ATOM 445 CA GLY A 627 10.237 6.544 -4.277 1.00 62.43 C ATOM 446 C GLY A 627 9.534 7.535 -3.371 1.00 13.11 C ATOM 447 O GLY A 627 8.869 7.145 -2.411 1.00 64.42 O ATOM 0 H GLY A 627 11.018 6.914 -6.185 1.00 32.44 H new ATOM 0 HA2 GLY A 627 9.810 5.553 -4.126 1.00 62.43 H new ATOM 0 HA3 GLY A 627 11.289 6.484 -3.998 1.00 62.43 H new ATOM 451 N GLU A 628 9.682 8.821 -3.674 1.00 52.03 N ATOM 452 CA GLU A 628 9.057 9.870 -2.877 1.00 44.44 C ATOM 453 C GLU A 628 7.577 9.576 -2.656 1.00 14.03 C ATOM 454 O GLU A 628 7.044 9.796 -1.567 1.00 63.15 O ATOM 455 CB GLU A 628 9.222 11.228 -3.563 1.00 35.02 C ATOM 456 CG GLU A 628 8.707 12.394 -2.736 1.00 25.20 C ATOM 457 CD GLU A 628 9.153 13.737 -3.280 1.00 70.14 C ATOM 458 OE1 GLU A 628 9.924 13.754 -4.261 1.00 64.44 O ATOM 459 OE2 GLU A 628 8.728 14.772 -2.724 1.00 50.15 O ATOM 0 H GLU A 628 10.229 9.161 -4.465 1.00 52.03 H new ATOM 0 HA GLU A 628 9.553 9.898 -1.907 1.00 44.44 H new ATOM 0 HB2 GLU A 628 10.277 11.388 -3.784 1.00 35.02 H new ATOM 0 HB3 GLU A 628 8.696 11.210 -4.517 1.00 35.02 H new ATOM 0 HG2 GLU A 628 7.618 12.361 -2.708 1.00 25.20 H new ATOM 0 HG3 GLU A 628 9.056 12.288 -1.709 1.00 25.20 H new ATOM 466 N LYS A 629 6.916 9.078 -3.695 1.00 41.13 N ATOM 467 CA LYS A 629 5.498 8.752 -3.616 1.00 15.31 C ATOM 468 C LYS A 629 5.270 7.516 -2.753 1.00 23.35 C ATOM 469 O LYS A 629 4.465 7.536 -1.821 1.00 31.34 O ATOM 470 CB LYS A 629 4.927 8.520 -5.017 1.00 40.52 C ATOM 471 CG LYS A 629 4.007 9.633 -5.491 1.00 34.31 C ATOM 472 CD LYS A 629 2.800 9.784 -4.580 1.00 2.43 C ATOM 473 CE LYS A 629 2.685 11.200 -4.038 1.00 2.11 C ATOM 474 NZ LYS A 629 3.196 11.304 -2.643 1.00 11.32 N ATOM 0 H LYS A 629 7.341 8.891 -4.603 1.00 41.13 H new ATOM 0 HA LYS A 629 4.984 9.595 -3.155 1.00 15.31 H new ATOM 0 HB2 LYS A 629 5.751 8.415 -5.723 1.00 40.52 H new ATOM 0 HB3 LYS A 629 4.378 7.578 -5.025 1.00 40.52 H new ATOM 0 HG2 LYS A 629 4.558 10.573 -5.525 1.00 34.31 H new ATOM 0 HG3 LYS A 629 3.673 9.423 -6.507 1.00 34.31 H new ATOM 0 HD2 LYS A 629 1.894 9.529 -5.129 1.00 2.43 H new ATOM 0 HD3 LYS A 629 2.878 9.081 -3.751 1.00 2.43 H new ATOM 0 HE2 LYS A 629 3.243 11.881 -4.681 1.00 2.11 H new ATOM 0 HE3 LYS A 629 1.642 11.516 -4.067 1.00 2.11 H new ATOM 0 HZ1 LYS A 629 2.681 12.054 -2.140 1.00 11.32 H new ATOM 0 HZ2 LYS A 629 3.054 10.398 -2.153 1.00 11.32 H new ATOM 0 HZ3 LYS A 629 4.210 11.532 -2.661 1.00 11.32 H new ATOM 488 N LEU A 630 5.984 6.440 -3.068 1.00 12.30 N ATOM 489 CA LEU A 630 5.861 5.194 -2.319 1.00 4.21 C ATOM 490 C LEU A 630 6.098 5.427 -0.830 1.00 50.45 C ATOM 491 O LEU A 630 5.285 5.037 0.006 1.00 15.43 O ATOM 492 CB LEU A 630 6.854 4.159 -2.849 1.00 61.42 C ATOM 493 CG LEU A 630 6.625 2.716 -2.397 1.00 13.11 C ATOM 494 CD1 LEU A 630 6.241 1.840 -3.580 1.00 3.41 C ATOM 495 CD2 LEU A 630 7.866 2.169 -1.706 1.00 72.00 C ATOM 0 H LEU A 630 6.654 6.406 -3.837 1.00 12.30 H new ATOM 0 HA LEU A 630 4.847 4.818 -2.451 1.00 4.21 H new ATOM 0 HB2 LEU A 630 6.829 4.186 -3.938 1.00 61.42 H new ATOM 0 HB3 LEU A 630 7.857 4.459 -2.546 1.00 61.42 H new ATOM 0 HG LEU A 630 5.802 2.706 -1.682 1.00 13.11 H new ATOM 0 HD11 LEU A 630 6.082 0.817 -3.239 1.00 3.41 H new ATOM 0 HD12 LEU A 630 5.324 2.219 -4.031 1.00 3.41 H new ATOM 0 HD13 LEU A 630 7.042 1.856 -4.319 1.00 3.41 H new ATOM 0 HD21 LEU A 630 7.684 1.141 -1.391 1.00 72.00 H new ATOM 0 HD22 LEU A 630 8.708 2.193 -2.398 1.00 72.00 H new ATOM 0 HD23 LEU A 630 8.096 2.780 -0.833 1.00 72.00 H new ATOM 507 N GLY A 631 7.216 6.069 -0.507 1.00 4.21 N ATOM 508 CA GLY A 631 7.539 6.346 0.881 1.00 61.14 C ATOM 509 C GLY A 631 6.349 6.873 1.658 1.00 22.02 C ATOM 510 O GLY A 631 6.080 6.425 2.773 1.00 61.40 O ATOM 0 H GLY A 631 7.904 6.403 -1.182 1.00 4.21 H new ATOM 0 HA2 GLY A 631 7.904 5.435 1.355 1.00 61.14 H new ATOM 0 HA3 GLY A 631 8.349 7.074 0.924 1.00 61.14 H new ATOM 514 N ARG A 632 5.636 7.827 1.070 1.00 75.34 N ATOM 515 CA ARG A 632 4.469 8.417 1.716 1.00 5.33 C ATOM 516 C ARG A 632 3.383 7.369 1.940 1.00 10.34 C ATOM 517 O ARG A 632 2.742 7.338 2.992 1.00 42.53 O ATOM 518 CB ARG A 632 3.918 9.566 0.871 1.00 42.21 C ATOM 519 CG ARG A 632 4.205 10.942 1.450 1.00 61.13 C ATOM 520 CD ARG A 632 5.367 11.615 0.737 1.00 74.02 C ATOM 521 NE ARG A 632 6.097 12.524 1.616 1.00 31.54 N ATOM 522 CZ ARG A 632 6.865 12.116 2.620 1.00 64.54 C ATOM 523 NH1 ARG A 632 7.004 10.820 2.870 1.00 55.55 N ATOM 524 NH2 ARG A 632 7.498 13.003 3.376 1.00 21.31 N ATOM 0 H ARG A 632 5.845 8.208 0.147 1.00 75.34 H new ATOM 0 HA ARG A 632 4.780 8.805 2.686 1.00 5.33 H new ATOM 0 HB2 ARG A 632 4.345 9.506 -0.130 1.00 42.21 H new ATOM 0 HB3 ARG A 632 2.840 9.443 0.766 1.00 42.21 H new ATOM 0 HG2 ARG A 632 3.315 11.566 1.367 1.00 61.13 H new ATOM 0 HG3 ARG A 632 4.432 10.851 2.512 1.00 61.13 H new ATOM 0 HD2 ARG A 632 6.048 10.854 0.356 1.00 74.02 H new ATOM 0 HD3 ARG A 632 4.992 12.167 -0.125 1.00 74.02 H new ATOM 0 HE ARG A 632 6.013 13.527 1.450 1.00 31.54 H new ATOM 0 HH11 ARG A 632 6.520 10.134 2.290 1.00 55.55 H new ATOM 0 HH12 ARG A 632 7.595 10.510 3.642 1.00 55.55 H new ATOM 0 HH21 ARG A 632 7.395 14.000 3.187 1.00 21.31 H new ATOM 0 HH22 ARG A 632 8.087 12.688 4.147 1.00 21.31 H new ATOM 538 N VAL A 633 3.181 6.511 0.945 1.00 14.42 N ATOM 539 CA VAL A 633 2.173 5.462 1.033 1.00 33.30 C ATOM 540 C VAL A 633 2.575 4.399 2.049 1.00 34.04 C ATOM 541 O VAL A 633 1.863 4.157 3.025 1.00 42.33 O ATOM 542 CB VAL A 633 1.942 4.790 -0.333 1.00 25.41 C ATOM 543 CG1 VAL A 633 0.978 3.621 -0.197 1.00 23.13 C ATOM 544 CG2 VAL A 633 1.426 5.801 -1.344 1.00 43.23 C ATOM 0 H VAL A 633 3.703 6.522 0.068 1.00 14.42 H new ATOM 0 HA VAL A 633 1.247 5.938 1.356 1.00 33.30 H new ATOM 0 HB VAL A 633 2.895 4.404 -0.694 1.00 25.41 H new ATOM 0 HG11 VAL A 633 0.827 3.159 -1.172 1.00 23.13 H new ATOM 0 HG12 VAL A 633 1.393 2.886 0.493 1.00 23.13 H new ATOM 0 HG13 VAL A 633 0.023 3.980 0.186 1.00 23.13 H new ATOM 0 HG21 VAL A 633 1.269 5.308 -2.303 1.00 43.23 H new ATOM 0 HG22 VAL A 633 0.483 6.219 -0.992 1.00 43.23 H new ATOM 0 HG23 VAL A 633 2.156 6.602 -1.463 1.00 43.23 H new ATOM 554 N VAL A 634 3.719 3.766 1.815 1.00 5.23 N ATOM 555 CA VAL A 634 4.217 2.729 2.711 1.00 60.53 C ATOM 556 C VAL A 634 4.156 3.184 4.165 1.00 61.41 C ATOM 557 O VAL A 634 3.927 2.379 5.069 1.00 1.23 O ATOM 558 CB VAL A 634 5.666 2.339 2.367 1.00 24.44 C ATOM 559 CG1 VAL A 634 6.050 1.041 3.063 1.00 44.41 C ATOM 560 CG2 VAL A 634 5.842 2.217 0.860 1.00 13.54 C ATOM 0 H VAL A 634 4.319 3.953 1.012 1.00 5.23 H new ATOM 0 HA VAL A 634 3.573 1.859 2.578 1.00 60.53 H new ATOM 0 HB VAL A 634 6.330 3.126 2.725 1.00 24.44 H new ATOM 0 HG11 VAL A 634 7.077 0.781 2.808 1.00 44.41 H new ATOM 0 HG12 VAL A 634 5.965 1.168 4.142 1.00 44.41 H new ATOM 0 HG13 VAL A 634 5.383 0.243 2.738 1.00 44.41 H new ATOM 0 HG21 VAL A 634 6.872 1.941 0.635 1.00 13.54 H new ATOM 0 HG22 VAL A 634 5.169 1.451 0.476 1.00 13.54 H new ATOM 0 HG23 VAL A 634 5.611 3.172 0.388 1.00 13.54 H new ATOM 570 N HIS A 635 4.361 4.478 4.384 1.00 63.13 N ATOM 571 CA HIS A 635 4.329 5.041 5.729 1.00 55.12 C ATOM 572 C HIS A 635 2.946 4.877 6.353 1.00 64.42 C ATOM 573 O HIS A 635 2.820 4.446 7.500 1.00 51.33 O ATOM 574 CB HIS A 635 4.713 6.520 5.695 1.00 24.41 C ATOM 575 CG HIS A 635 5.983 6.825 6.429 1.00 3.45 C ATOM 576 ND1 HIS A 635 6.960 7.659 5.929 1.00 44.02 N ATOM 577 CD2 HIS A 635 6.431 6.405 7.636 1.00 64.12 C ATOM 578 CE1 HIS A 635 7.956 7.737 6.793 1.00 31.51 C ATOM 579 NE2 HIS A 635 7.660 6.985 7.838 1.00 62.53 N ATOM 0 H HIS A 635 4.551 5.157 3.647 1.00 63.13 H new ATOM 0 HA HIS A 635 5.051 4.500 6.340 1.00 55.12 H new ATOM 0 HB2 HIS A 635 4.818 6.836 4.657 1.00 24.41 H new ATOM 0 HB3 HIS A 635 3.903 7.108 6.127 1.00 24.41 H new ATOM 0 HD2 HIS A 635 5.918 5.738 8.313 1.00 64.12 H new ATOM 0 HE1 HIS A 635 8.858 8.317 6.667 1.00 31.51 H new ATOM 0 HE2 HIS A 635 8.248 6.856 8.661 1.00 62.53 H new ATOM 587 N ILE A 636 1.914 5.223 5.592 1.00 3.10 N ATOM 588 CA ILE A 636 0.542 5.114 6.070 1.00 32.50 C ATOM 589 C ILE A 636 0.268 3.727 6.645 1.00 4.54 C ATOM 590 O ILE A 636 -0.080 3.589 7.818 1.00 55.21 O ATOM 591 CB ILE A 636 -0.471 5.399 4.946 1.00 75.11 C ATOM 592 CG1 ILE A 636 0.004 6.573 4.087 1.00 23.31 C ATOM 593 CG2 ILE A 636 -1.846 5.687 5.531 1.00 1.23 C ATOM 594 CD1 ILE A 636 -1.095 7.202 3.261 1.00 34.22 C ATOM 0 H ILE A 636 2.002 5.581 4.641 1.00 3.10 H new ATOM 0 HA ILE A 636 0.422 5.861 6.855 1.00 32.50 H new ATOM 0 HB ILE A 636 -0.545 4.515 4.312 1.00 75.11 H new ATOM 0 HG12 ILE A 636 0.441 7.333 4.735 1.00 23.31 H new ATOM 0 HG13 ILE A 636 0.796 6.229 3.421 1.00 23.31 H new ATOM 0 HG21 ILE A 636 -2.550 5.886 4.723 1.00 1.23 H new ATOM 0 HG22 ILE A 636 -2.186 4.824 6.104 1.00 1.23 H new ATOM 0 HG23 ILE A 636 -1.788 6.557 6.185 1.00 1.23 H new ATOM 0 HD11 ILE A 636 -0.685 8.027 2.678 1.00 34.22 H new ATOM 0 HD12 ILE A 636 -1.516 6.456 2.587 1.00 34.22 H new ATOM 0 HD13 ILE A 636 -1.877 7.578 3.921 1.00 34.22 H new ATOM 606 N ILE A 637 0.433 2.706 5.813 1.00 74.35 N ATOM 607 CA ILE A 637 0.206 1.330 6.239 1.00 22.12 C ATOM 608 C ILE A 637 1.228 0.905 7.288 1.00 20.44 C ATOM 609 O ILE A 637 0.980 -0.007 8.076 1.00 22.30 O ATOM 610 CB ILE A 637 0.272 0.354 5.050 1.00 72.42 C ATOM 611 CG1 ILE A 637 -0.801 0.703 4.016 1.00 74.13 C ATOM 612 CG2 ILE A 637 0.105 -1.080 5.531 1.00 33.24 C ATOM 613 CD1 ILE A 637 -0.384 0.413 2.591 1.00 35.42 C ATOM 0 H ILE A 637 0.723 2.804 4.840 1.00 74.35 H new ATOM 0 HA ILE A 637 -0.794 1.294 6.672 1.00 22.12 H new ATOM 0 HB ILE A 637 1.250 0.446 4.577 1.00 72.42 H new ATOM 0 HG12 ILE A 637 -1.708 0.142 4.242 1.00 74.13 H new ATOM 0 HG13 ILE A 637 -1.050 1.760 4.105 1.00 74.13 H new ATOM 0 HG21 ILE A 637 0.154 -1.758 4.679 1.00 33.24 H new ATOM 0 HG22 ILE A 637 0.902 -1.323 6.234 1.00 33.24 H new ATOM 0 HG23 ILE A 637 -0.860 -1.188 6.025 1.00 33.24 H new ATOM 0 HD11 ILE A 637 -1.193 0.685 1.913 1.00 35.42 H new ATOM 0 HD12 ILE A 637 0.505 0.994 2.347 1.00 35.42 H new ATOM 0 HD13 ILE A 637 -0.163 -0.649 2.485 1.00 35.42 H new ATOM 625 N GLN A 638 2.377 1.574 7.291 1.00 32.53 N ATOM 626 CA GLN A 638 3.436 1.264 8.245 1.00 3.52 C ATOM 627 C GLN A 638 2.961 1.483 9.677 1.00 35.30 C ATOM 628 O GLN A 638 3.306 0.720 10.580 1.00 3.51 O ATOM 629 CB GLN A 638 4.669 2.128 7.967 1.00 10.22 C ATOM 630 CG GLN A 638 5.881 1.330 7.515 1.00 12.51 C ATOM 631 CD GLN A 638 7.087 2.207 7.240 1.00 31.52 C ATOM 632 OE1 GLN A 638 8.087 2.149 7.956 1.00 24.14 O ATOM 633 NE2 GLN A 638 6.999 3.026 6.198 1.00 11.25 N ATOM 0 H GLN A 638 2.598 2.332 6.645 1.00 32.53 H new ATOM 0 HA GLN A 638 3.701 0.213 8.127 1.00 3.52 H new ATOM 0 HB2 GLN A 638 4.422 2.863 7.201 1.00 10.22 H new ATOM 0 HB3 GLN A 638 4.925 2.682 8.870 1.00 10.22 H new ATOM 0 HG2 GLN A 638 6.136 0.598 8.281 1.00 12.51 H new ATOM 0 HG3 GLN A 638 5.629 0.772 6.613 1.00 12.51 H new ATOM 0 HE21 GLN A 638 6.151 3.041 5.632 1.00 11.25 H new ATOM 0 HE22 GLN A 638 7.780 3.640 5.964 1.00 11.25 H new ATOM 642 N SER A 639 2.165 2.530 9.879 1.00 70.42 N ATOM 643 CA SER A 639 1.645 2.850 11.202 1.00 21.01 C ATOM 644 C SER A 639 0.228 2.311 11.375 1.00 20.41 C ATOM 645 O SER A 639 -0.225 2.072 12.494 1.00 30.13 O ATOM 646 CB SER A 639 1.657 4.364 11.425 1.00 70.52 C ATOM 647 OG SER A 639 2.450 4.708 12.548 1.00 74.32 O ATOM 0 H SER A 639 1.867 3.170 9.143 1.00 70.42 H new ATOM 0 HA SER A 639 2.288 2.375 11.942 1.00 21.01 H new ATOM 0 HB2 SER A 639 2.044 4.863 10.536 1.00 70.52 H new ATOM 0 HB3 SER A 639 0.638 4.721 11.573 1.00 70.52 H new ATOM 0 HG SER A 639 2.443 5.681 12.668 1.00 74.32 H new ATOM 653 N ARG A 640 -0.466 2.122 10.257 1.00 21.43 N ATOM 654 CA ARG A 640 -1.832 1.612 10.284 1.00 65.40 C ATOM 655 C ARG A 640 -1.844 0.101 10.497 1.00 21.32 C ATOM 656 O ARG A 640 -2.757 -0.440 11.118 1.00 71.31 O ATOM 657 CB ARG A 640 -2.554 1.959 8.980 1.00 5.25 C ATOM 658 CG ARG A 640 -3.433 3.195 9.083 1.00 31.10 C ATOM 659 CD ARG A 640 -4.595 2.974 10.037 1.00 54.21 C ATOM 660 NE ARG A 640 -4.382 3.633 11.323 1.00 23.04 N ATOM 661 CZ ARG A 640 -4.525 4.940 11.512 1.00 72.32 C ATOM 662 NH1 ARG A 640 -4.882 5.723 10.504 1.00 5.14 N ATOM 663 NH2 ARG A 640 -4.312 5.464 12.712 1.00 3.12 N ATOM 0 H ARG A 640 -0.105 2.314 9.322 1.00 21.43 H new ATOM 0 HA ARG A 640 -2.353 2.084 11.117 1.00 65.40 H new ATOM 0 HB2 ARG A 640 -1.814 2.114 8.195 1.00 5.25 H new ATOM 0 HB3 ARG A 640 -3.168 1.111 8.677 1.00 5.25 H new ATOM 0 HG2 ARG A 640 -2.836 4.040 9.425 1.00 31.10 H new ATOM 0 HG3 ARG A 640 -3.816 3.454 8.096 1.00 31.10 H new ATOM 0 HD2 ARG A 640 -5.512 3.351 9.584 1.00 54.21 H new ATOM 0 HD3 ARG A 640 -4.734 1.905 10.197 1.00 54.21 H new ATOM 0 HE ARG A 640 -4.108 3.058 12.120 1.00 23.04 H new ATOM 0 HH11 ARG A 640 -5.048 5.322 9.581 1.00 5.14 H new ATOM 0 HH12 ARG A 640 -4.991 6.726 10.652 1.00 5.14 H new ATOM 0 HH21 ARG A 640 -4.038 4.863 13.490 1.00 3.12 H new ATOM 0 HH22 ARG A 640 -4.422 6.468 12.857 1.00 3.12 H new ATOM 677 N GLU A 641 -0.823 -0.574 9.976 1.00 0.40 N ATOM 678 CA GLU A 641 -0.718 -2.022 10.108 1.00 32.55 C ATOM 679 C GLU A 641 -0.201 -2.405 11.492 1.00 21.44 C ATOM 680 O GLU A 641 0.932 -2.099 11.866 1.00 12.03 O ATOM 681 CB GLU A 641 0.207 -2.590 9.031 1.00 44.23 C ATOM 682 CG GLU A 641 0.475 -4.078 9.179 1.00 51.02 C ATOM 683 CD GLU A 641 0.032 -4.873 7.966 1.00 25.52 C ATOM 684 OE1 GLU A 641 0.687 -4.758 6.909 1.00 45.02 O ATOM 685 OE2 GLU A 641 -0.969 -5.613 8.074 1.00 11.34 O ATOM 0 H GLU A 641 -0.058 -0.141 9.459 1.00 0.40 H new ATOM 0 HA GLU A 641 -1.714 -2.446 9.980 1.00 32.55 H new ATOM 0 HB2 GLU A 641 -0.234 -2.405 8.051 1.00 44.23 H new ATOM 0 HB3 GLU A 641 1.156 -2.054 9.060 1.00 44.23 H new ATOM 0 HG2 GLU A 641 1.541 -4.237 9.344 1.00 51.02 H new ATOM 0 HG3 GLU A 641 -0.043 -4.451 10.062 1.00 51.02 H new ATOM 692 N PRO A 642 -1.049 -3.093 12.271 1.00 51.04 N ATOM 693 CA PRO A 642 -0.701 -3.534 13.625 1.00 60.11 C ATOM 694 C PRO A 642 0.348 -4.641 13.623 1.00 52.12 C ATOM 695 O PRO A 642 1.248 -4.658 14.462 1.00 20.55 O ATOM 696 CB PRO A 642 -2.028 -4.056 14.180 1.00 22.22 C ATOM 697 CG PRO A 642 -2.812 -4.451 12.978 1.00 75.20 C ATOM 698 CD PRO A 642 -2.414 -3.493 11.889 1.00 20.32 C ATOM 0 HA PRO A 642 -0.263 -2.729 14.216 1.00 60.11 H new ATOM 0 HB2 PRO A 642 -1.872 -4.904 14.847 1.00 22.22 H new ATOM 0 HB3 PRO A 642 -2.546 -3.289 14.756 1.00 22.22 H new ATOM 0 HG2 PRO A 642 -2.594 -5.480 12.691 1.00 75.20 H new ATOM 0 HG3 PRO A 642 -3.883 -4.395 13.175 1.00 75.20 H new ATOM 0 HD2 PRO A 642 -2.434 -3.968 10.908 1.00 20.32 H new ATOM 0 HD3 PRO A 642 -3.086 -2.636 11.842 1.00 20.32 H new ATOM 706 N SER A 643 0.227 -5.563 12.672 1.00 14.30 N ATOM 707 CA SER A 643 1.163 -6.675 12.563 1.00 72.23 C ATOM 708 C SER A 643 2.599 -6.170 12.468 1.00 24.10 C ATOM 709 O SER A 643 3.529 -6.809 12.962 1.00 51.01 O ATOM 710 CB SER A 643 0.830 -7.531 11.339 1.00 34.21 C ATOM 711 OG SER A 643 1.977 -8.216 10.869 1.00 72.14 O ATOM 0 H SER A 643 -0.510 -5.561 11.967 1.00 14.30 H new ATOM 0 HA SER A 643 1.070 -7.285 13.461 1.00 72.23 H new ATOM 0 HB2 SER A 643 0.052 -8.251 11.595 1.00 34.21 H new ATOM 0 HB3 SER A 643 0.430 -6.898 10.547 1.00 34.21 H new ATOM 0 HG SER A 643 1.738 -8.757 10.088 1.00 72.14 H new ATOM 717 N LEU A 644 2.773 -5.017 11.830 1.00 35.21 N ATOM 718 CA LEU A 644 4.096 -4.424 11.670 1.00 13.33 C ATOM 719 C LEU A 644 4.665 -3.989 13.017 1.00 33.54 C ATOM 720 O LEU A 644 4.494 -2.845 13.435 1.00 13.31 O ATOM 721 CB LEU A 644 4.027 -3.225 10.722 1.00 50.11 C ATOM 722 CG LEU A 644 5.283 -2.951 9.893 1.00 30.45 C ATOM 723 CD1 LEU A 644 5.170 -1.615 9.177 1.00 14.13 C ATOM 724 CD2 LEU A 644 6.522 -2.982 10.777 1.00 32.12 C ATOM 0 H LEU A 644 2.015 -4.475 11.416 1.00 35.21 H new ATOM 0 HA LEU A 644 4.757 -5.179 11.244 1.00 13.33 H new ATOM 0 HB2 LEU A 644 3.191 -3.375 10.039 1.00 50.11 H new ATOM 0 HB3 LEU A 644 3.803 -2.335 11.310 1.00 50.11 H new ATOM 0 HG LEU A 644 5.377 -3.735 9.141 1.00 30.45 H new ATOM 0 HD11 LEU A 644 6.073 -1.438 8.593 1.00 14.13 H new ATOM 0 HD12 LEU A 644 4.305 -1.630 8.513 1.00 14.13 H new ATOM 0 HD13 LEU A 644 5.051 -0.818 9.911 1.00 14.13 H new ATOM 0 HD21 LEU A 644 7.406 -2.785 10.171 1.00 32.12 H new ATOM 0 HD22 LEU A 644 6.436 -2.220 11.551 1.00 32.12 H new ATOM 0 HD23 LEU A 644 6.612 -3.963 11.243 1.00 32.12 H new ATOM 736 N LYS A 645 5.344 -4.911 13.691 1.00 20.54 N ATOM 737 CA LYS A 645 5.942 -4.623 14.990 1.00 63.44 C ATOM 738 C LYS A 645 7.465 -4.665 14.909 1.00 54.21 C ATOM 739 O LYS A 645 8.129 -5.185 15.804 1.00 43.13 O ATOM 740 CB LYS A 645 5.449 -5.628 16.035 1.00 43.33 C ATOM 741 CG LYS A 645 3.951 -5.569 16.275 1.00 74.41 C ATOM 742 CD LYS A 645 3.478 -6.728 17.136 1.00 73.13 C ATOM 743 CE LYS A 645 2.146 -6.420 17.803 1.00 20.11 C ATOM 744 NZ LYS A 645 1.515 -7.644 18.372 1.00 3.11 N ATOM 0 H LYS A 645 5.494 -5.864 13.360 1.00 20.54 H new ATOM 0 HA LYS A 645 5.639 -3.619 15.288 1.00 63.44 H new ATOM 0 HB2 LYS A 645 5.718 -6.634 15.714 1.00 43.33 H new ATOM 0 HB3 LYS A 645 5.967 -5.444 16.976 1.00 43.33 H new ATOM 0 HG2 LYS A 645 3.696 -4.627 16.760 1.00 74.41 H new ATOM 0 HG3 LYS A 645 3.427 -5.587 15.319 1.00 74.41 H new ATOM 0 HD2 LYS A 645 3.380 -7.623 16.521 1.00 73.13 H new ATOM 0 HD3 LYS A 645 4.226 -6.945 17.898 1.00 73.13 H new ATOM 0 HE2 LYS A 645 2.297 -5.687 18.596 1.00 20.11 H new ATOM 0 HE3 LYS A 645 1.471 -5.968 17.076 1.00 20.11 H new ATOM 0 HZ1 LYS A 645 0.610 -7.393 18.818 1.00 3.11 H new ATOM 0 HZ2 LYS A 645 1.347 -8.333 17.612 1.00 3.11 H new ATOM 0 HZ3 LYS A 645 2.147 -8.061 19.084 1.00 3.11 H new ATOM 758 N ASN A 646 8.010 -4.112 13.831 1.00 63.42 N ATOM 759 CA ASN A 646 9.455 -4.085 13.634 1.00 63.22 C ATOM 760 C ASN A 646 9.971 -2.650 13.584 1.00 32.45 C ATOM 761 O ASN A 646 9.314 -1.762 13.041 1.00 34.25 O ATOM 762 CB ASN A 646 9.829 -4.818 12.343 1.00 54.03 C ATOM 763 CG ASN A 646 10.470 -6.165 12.608 1.00 31.35 C ATOM 764 OD1 ASN A 646 11.240 -6.323 13.556 1.00 4.41 O ATOM 765 ND2 ASN A 646 10.155 -7.147 11.770 1.00 2.35 N ATOM 0 H ASN A 646 7.474 -3.677 13.081 1.00 63.42 H new ATOM 0 HA ASN A 646 9.921 -4.591 14.480 1.00 63.22 H new ATOM 0 HB2 ASN A 646 8.935 -4.958 11.736 1.00 54.03 H new ATOM 0 HB3 ASN A 646 10.515 -4.200 11.763 1.00 54.03 H new ATOM 0 HD21 ASN A 646 10.556 -8.076 11.899 1.00 2.35 H new ATOM 0 HD22 ASN A 646 9.512 -6.972 10.998 1.00 2.35 H new ATOM 772 N SER A 647 11.151 -2.431 14.154 1.00 31.30 N ATOM 773 CA SER A 647 11.754 -1.104 14.179 1.00 42.11 C ATOM 774 C SER A 647 12.572 -0.856 12.915 1.00 13.20 C ATOM 775 O SER A 647 13.271 0.150 12.803 1.00 3.41 O ATOM 776 CB SER A 647 12.643 -0.947 15.414 1.00 30.23 C ATOM 777 OG SER A 647 12.097 -0.003 16.319 1.00 41.14 O ATOM 0 H SER A 647 11.709 -3.156 14.605 1.00 31.30 H new ATOM 0 HA SER A 647 10.951 -0.368 14.223 1.00 42.11 H new ATOM 0 HB2 SER A 647 12.753 -1.911 15.911 1.00 30.23 H new ATOM 0 HB3 SER A 647 13.640 -0.629 15.110 1.00 30.23 H new ATOM 0 HG SER A 647 12.683 0.078 17.100 1.00 41.14 H new ATOM 783 N ASN A 648 12.478 -1.781 11.965 1.00 73.01 N ATOM 784 CA ASN A 648 13.208 -1.663 10.709 1.00 61.44 C ATOM 785 C ASN A 648 12.279 -1.239 9.576 1.00 31.43 C ATOM 786 O ASN A 648 11.556 -2.050 8.996 1.00 55.21 O ATOM 787 CB ASN A 648 13.882 -2.993 10.360 1.00 15.12 C ATOM 788 CG ASN A 648 14.529 -2.971 8.989 1.00 42.11 C ATOM 789 OD1 ASN A 648 15.728 -2.721 8.861 1.00 41.12 O ATOM 790 ND2 ASN A 648 13.737 -3.233 7.957 1.00 62.15 N ATOM 0 H ASN A 648 11.903 -2.620 12.042 1.00 73.01 H new ATOM 0 HA ASN A 648 13.973 -0.896 10.833 1.00 61.44 H new ATOM 0 HB2 ASN A 648 14.637 -3.223 11.112 1.00 15.12 H new ATOM 0 HB3 ASN A 648 13.142 -3.793 10.397 1.00 15.12 H new ATOM 0 HD21 ASN A 648 14.116 -3.233 7.010 1.00 62.15 H new ATOM 0 HD22 ASN A 648 12.749 -3.435 8.111 1.00 62.15 H new ATOM 797 N PRO A 649 12.297 0.062 9.251 1.00 34.34 N ATOM 798 CA PRO A 649 11.463 0.624 8.185 1.00 74.44 C ATOM 799 C PRO A 649 11.910 0.171 6.799 1.00 13.01 C ATOM 800 O PRO A 649 11.234 0.429 5.803 1.00 43.41 O ATOM 801 CB PRO A 649 11.655 2.134 8.343 1.00 74.24 C ATOM 802 CG PRO A 649 12.983 2.280 9.000 1.00 40.11 C ATOM 803 CD PRO A 649 13.133 1.085 9.900 1.00 2.44 C ATOM 0 HA PRO A 649 10.425 0.302 8.267 1.00 74.44 H new ATOM 0 HB2 PRO A 649 11.633 2.639 7.377 1.00 74.24 H new ATOM 0 HB3 PRO A 649 10.863 2.572 8.950 1.00 74.24 H new ATOM 0 HG2 PRO A 649 13.783 2.314 8.260 1.00 40.11 H new ATOM 0 HG3 PRO A 649 13.036 3.207 9.570 1.00 40.11 H new ATOM 0 HD2 PRO A 649 14.173 0.766 9.975 1.00 2.44 H new ATOM 0 HD3 PRO A 649 12.792 1.299 10.913 1.00 2.44 H new ATOM 811 N ASP A 650 13.052 -0.506 6.743 1.00 31.20 N ATOM 812 CA ASP A 650 13.589 -0.996 5.479 1.00 13.25 C ATOM 813 C ASP A 650 12.867 -2.265 5.038 1.00 33.40 C ATOM 814 O ASP A 650 13.183 -2.839 3.996 1.00 54.21 O ATOM 815 CB ASP A 650 15.089 -1.266 5.608 1.00 11.21 C ATOM 816 CG ASP A 650 15.612 -2.166 4.507 1.00 52.12 C ATOM 817 OD1 ASP A 650 15.599 -3.401 4.693 1.00 14.44 O ATOM 818 OD2 ASP A 650 16.036 -1.635 3.458 1.00 61.31 O ATOM 0 H ASP A 650 13.623 -0.728 7.558 1.00 31.20 H new ATOM 0 HA ASP A 650 13.430 -0.228 4.722 1.00 13.25 H new ATOM 0 HB2 ASP A 650 15.629 -0.319 5.586 1.00 11.21 H new ATOM 0 HB3 ASP A 650 15.291 -1.726 6.576 1.00 11.21 H new ATOM 823 N GLU A 651 11.898 -2.698 5.838 1.00 0.12 N ATOM 824 CA GLU A 651 11.134 -3.901 5.530 1.00 55.14 C ATOM 825 C GLU A 651 9.678 -3.745 5.962 1.00 35.32 C ATOM 826 O GLU A 651 9.392 -3.461 7.126 1.00 40.53 O ATOM 827 CB GLU A 651 11.755 -5.117 6.219 1.00 73.23 C ATOM 828 CG GLU A 651 10.914 -6.378 6.103 1.00 15.24 C ATOM 829 CD GLU A 651 10.073 -6.633 7.340 1.00 52.14 C ATOM 830 OE1 GLU A 651 10.585 -7.268 8.285 1.00 33.05 O ATOM 831 OE2 GLU A 651 8.903 -6.196 7.361 1.00 74.45 O ATOM 0 H GLU A 651 11.624 -2.234 6.704 1.00 0.12 H new ATOM 0 HA GLU A 651 11.161 -4.052 4.451 1.00 55.14 H new ATOM 0 HB2 GLU A 651 12.738 -5.305 5.788 1.00 73.23 H new ATOM 0 HB3 GLU A 651 11.908 -4.888 7.274 1.00 73.23 H new ATOM 0 HG2 GLU A 651 10.261 -6.296 5.234 1.00 15.24 H new ATOM 0 HG3 GLU A 651 11.568 -7.232 5.930 1.00 15.24 H new ATOM 838 N ILE A 652 8.763 -3.936 5.018 1.00 41.45 N ATOM 839 CA ILE A 652 7.338 -3.818 5.300 1.00 2.44 C ATOM 840 C ILE A 652 6.536 -4.861 4.529 1.00 12.23 C ATOM 841 O ILE A 652 6.829 -5.148 3.369 1.00 73.51 O ATOM 842 CB ILE A 652 6.808 -2.415 4.948 1.00 62.23 C ATOM 843 CG1 ILE A 652 6.006 -1.840 6.117 1.00 31.21 C ATOM 844 CG2 ILE A 652 5.955 -2.473 3.690 1.00 54.14 C ATOM 845 CD1 ILE A 652 4.612 -1.396 5.732 1.00 11.41 C ATOM 0 H ILE A 652 8.983 -4.173 4.051 1.00 41.45 H new ATOM 0 HA ILE A 652 7.214 -3.986 6.370 1.00 2.44 H new ATOM 0 HB ILE A 652 7.657 -1.758 4.758 1.00 62.23 H new ATOM 0 HG12 ILE A 652 5.935 -2.592 6.903 1.00 31.21 H new ATOM 0 HG13 ILE A 652 6.547 -0.991 6.535 1.00 31.21 H new ATOM 0 HG21 ILE A 652 5.587 -1.475 3.453 1.00 54.14 H new ATOM 0 HG22 ILE A 652 6.556 -2.845 2.860 1.00 54.14 H new ATOM 0 HG23 ILE A 652 5.110 -3.141 3.854 1.00 54.14 H new ATOM 0 HD11 ILE A 652 4.101 -0.999 6.609 1.00 11.41 H new ATOM 0 HD12 ILE A 652 4.675 -0.621 4.968 1.00 11.41 H new ATOM 0 HD13 ILE A 652 4.054 -2.247 5.341 1.00 11.41 H new ATOM 857 N GLU A 653 5.523 -5.423 5.181 1.00 12.42 N ATOM 858 CA GLU A 653 4.679 -6.433 4.555 1.00 32.03 C ATOM 859 C GLU A 653 3.232 -5.955 4.468 1.00 34.03 C ATOM 860 O GLU A 653 2.480 -6.040 5.440 1.00 13.12 O ATOM 861 CB GLU A 653 4.748 -7.745 5.341 1.00 53.23 C ATOM 862 CG GLU A 653 4.484 -8.977 4.491 1.00 41.42 C ATOM 863 CD GLU A 653 4.575 -10.264 5.287 1.00 70.12 C ATOM 864 OE1 GLU A 653 3.552 -10.671 5.876 1.00 52.35 O ATOM 865 OE2 GLU A 653 5.669 -10.865 5.321 1.00 61.42 O ATOM 0 H GLU A 653 5.267 -5.196 6.142 1.00 12.42 H new ATOM 0 HA GLU A 653 5.049 -6.603 3.544 1.00 32.03 H new ATOM 0 HB2 GLU A 653 5.733 -7.834 5.798 1.00 53.23 H new ATOM 0 HB3 GLU A 653 4.022 -7.711 6.153 1.00 53.23 H new ATOM 0 HG2 GLU A 653 3.493 -8.900 4.044 1.00 41.42 H new ATOM 0 HG3 GLU A 653 5.202 -9.009 3.671 1.00 41.42 H new ATOM 872 N ILE A 654 2.850 -5.452 3.299 1.00 21.13 N ATOM 873 CA ILE A 654 1.494 -4.961 3.086 1.00 45.13 C ATOM 874 C ILE A 654 0.619 -6.028 2.437 1.00 45.23 C ATOM 875 O ILE A 654 0.786 -6.352 1.261 1.00 43.21 O ATOM 876 CB ILE A 654 1.486 -3.700 2.202 1.00 1.34 C ATOM 877 CG1 ILE A 654 2.518 -2.689 2.707 1.00 22.25 C ATOM 878 CG2 ILE A 654 0.097 -3.079 2.178 1.00 22.23 C ATOM 879 CD1 ILE A 654 2.525 -1.392 1.929 1.00 65.13 C ATOM 0 H ILE A 654 3.460 -5.374 2.485 1.00 21.13 H new ATOM 0 HA ILE A 654 1.090 -4.711 4.067 1.00 45.13 H new ATOM 0 HB ILE A 654 1.753 -3.986 1.185 1.00 1.34 H new ATOM 0 HG12 ILE A 654 2.319 -2.472 3.757 1.00 22.25 H new ATOM 0 HG13 ILE A 654 3.510 -3.139 2.657 1.00 22.25 H new ATOM 0 HG21 ILE A 654 0.107 -2.189 1.549 1.00 22.23 H new ATOM 0 HG22 ILE A 654 -0.616 -3.799 1.776 1.00 22.23 H new ATOM 0 HG23 ILE A 654 -0.196 -2.804 3.191 1.00 22.23 H new ATOM 0 HD11 ILE A 654 3.281 -0.724 2.342 1.00 65.13 H new ATOM 0 HD12 ILE A 654 2.754 -1.596 0.883 1.00 65.13 H new ATOM 0 HD13 ILE A 654 1.545 -0.920 2.000 1.00 65.13 H new ATOM 891 N ASP A 655 -0.314 -6.570 3.211 1.00 22.24 N ATOM 892 CA ASP A 655 -1.218 -7.599 2.712 1.00 70.44 C ATOM 893 C ASP A 655 -2.669 -7.139 2.802 1.00 13.01 C ATOM 894 O ASP A 655 -3.261 -7.126 3.882 1.00 14.34 O ATOM 895 CB ASP A 655 -1.032 -8.898 3.499 1.00 1.44 C ATOM 896 CG ASP A 655 0.096 -8.807 4.507 1.00 4.12 C ATOM 897 OD1 ASP A 655 -0.081 -8.124 5.537 1.00 13.44 O ATOM 898 OD2 ASP A 655 1.157 -9.420 4.267 1.00 64.43 O ATOM 0 H ASP A 655 -0.464 -6.314 4.187 1.00 22.24 H new ATOM 0 HA ASP A 655 -0.978 -7.780 1.664 1.00 70.44 H new ATOM 0 HB2 ASP A 655 -1.960 -9.142 4.017 1.00 1.44 H new ATOM 0 HB3 ASP A 655 -0.831 -9.714 2.805 1.00 1.44 H new ATOM 903 N PHE A 656 -3.237 -6.759 1.663 1.00 64.32 N ATOM 904 CA PHE A 656 -4.618 -6.295 1.613 1.00 1.31 C ATOM 905 C PHE A 656 -5.574 -7.380 2.098 1.00 35.42 C ATOM 906 O PHE A 656 -6.631 -7.087 2.657 1.00 60.01 O ATOM 907 CB PHE A 656 -4.987 -5.874 0.189 1.00 34.14 C ATOM 908 CG PHE A 656 -4.096 -4.801 -0.368 1.00 41.22 C ATOM 909 CD1 PHE A 656 -3.564 -3.824 0.458 1.00 25.43 C ATOM 910 CD2 PHE A 656 -3.790 -4.769 -1.720 1.00 1.35 C ATOM 911 CE1 PHE A 656 -2.743 -2.836 -0.051 1.00 72.45 C ATOM 912 CE2 PHE A 656 -2.970 -3.783 -2.235 1.00 63.30 C ATOM 913 CZ PHE A 656 -2.446 -2.816 -1.400 1.00 42.22 C ATOM 0 H PHE A 656 -2.761 -6.763 0.761 1.00 64.32 H new ATOM 0 HA PHE A 656 -4.709 -5.433 2.274 1.00 1.31 H new ATOM 0 HB2 PHE A 656 -4.942 -6.747 -0.463 1.00 34.14 H new ATOM 0 HB3 PHE A 656 -6.018 -5.521 0.179 1.00 34.14 H new ATOM 0 HD1 PHE A 656 -3.794 -3.835 1.513 1.00 25.43 H new ATOM 0 HD2 PHE A 656 -4.197 -5.523 -2.378 1.00 1.35 H new ATOM 0 HE1 PHE A 656 -2.334 -2.081 0.604 1.00 72.45 H new ATOM 0 HE2 PHE A 656 -2.739 -3.769 -3.290 1.00 63.30 H new ATOM 0 HZ PHE A 656 -1.805 -2.045 -1.801 1.00 42.22 H new ATOM 923 N GLU A 657 -5.195 -8.636 1.880 1.00 45.44 N ATOM 924 CA GLU A 657 -6.020 -9.765 2.293 1.00 25.33 C ATOM 925 C GLU A 657 -6.434 -9.630 3.756 1.00 62.04 C ATOM 926 O GLU A 657 -7.513 -10.074 4.151 1.00 10.32 O ATOM 927 CB GLU A 657 -5.264 -11.080 2.086 1.00 43.10 C ATOM 928 CG GLU A 657 -6.149 -12.311 2.174 1.00 3.32 C ATOM 929 CD GLU A 657 -5.354 -13.603 2.180 1.00 3.44 C ATOM 930 OE1 GLU A 657 -4.203 -13.587 2.667 1.00 72.24 O ATOM 931 OE2 GLU A 657 -5.881 -14.627 1.699 1.00 13.12 O ATOM 0 H GLU A 657 -4.323 -8.897 1.420 1.00 45.44 H new ATOM 0 HA GLU A 657 -6.919 -9.769 1.677 1.00 25.33 H new ATOM 0 HB2 GLU A 657 -4.779 -11.061 1.110 1.00 43.10 H new ATOM 0 HB3 GLU A 657 -4.474 -11.157 2.833 1.00 43.10 H new ATOM 0 HG2 GLU A 657 -6.752 -12.256 3.080 1.00 3.32 H new ATOM 0 HG3 GLU A 657 -6.840 -12.318 1.331 1.00 3.32 H new ATOM 938 N THR A 658 -5.569 -9.013 4.555 1.00 75.41 N ATOM 939 CA THR A 658 -5.844 -8.819 5.973 1.00 25.42 C ATOM 940 C THR A 658 -5.997 -7.341 6.307 1.00 12.22 C ATOM 941 O THR A 658 -6.648 -6.979 7.288 1.00 44.10 O ATOM 942 CB THR A 658 -4.727 -9.420 6.848 1.00 5.41 C ATOM 943 OG1 THR A 658 -5.113 -9.386 8.227 1.00 40.42 O ATOM 944 CG2 THR A 658 -3.425 -8.655 6.663 1.00 50.22 C ATOM 0 H THR A 658 -4.672 -8.639 4.244 1.00 75.41 H new ATOM 0 HA THR A 658 -6.780 -9.334 6.187 1.00 25.42 H new ATOM 0 HB THR A 658 -4.571 -10.454 6.540 1.00 5.41 H new ATOM 0 HG1 THR A 658 -4.399 -9.771 8.776 1.00 40.42 H new ATOM 0 HG21 THR A 658 -2.651 -9.097 7.290 1.00 50.22 H new ATOM 0 HG22 THR A 658 -3.118 -8.706 5.618 1.00 50.22 H new ATOM 0 HG23 THR A 658 -3.572 -7.613 6.948 1.00 50.22 H new ATOM 952 N LEU A 659 -5.393 -6.488 5.486 1.00 14.01 N ATOM 953 CA LEU A 659 -5.464 -5.046 5.694 1.00 43.32 C ATOM 954 C LEU A 659 -6.913 -4.576 5.764 1.00 40.22 C ATOM 955 O LEU A 659 -7.809 -5.203 5.198 1.00 30.03 O ATOM 956 CB LEU A 659 -4.731 -4.312 4.569 1.00 70.34 C ATOM 957 CG LEU A 659 -3.934 -3.075 4.983 1.00 70.13 C ATOM 958 CD1 LEU A 659 -2.775 -3.464 5.887 1.00 12.33 C ATOM 959 CD2 LEU A 659 -3.429 -2.331 3.755 1.00 40.10 C ATOM 0 H LEU A 659 -4.849 -6.770 4.671 1.00 14.01 H new ATOM 0 HA LEU A 659 -4.981 -4.817 6.644 1.00 43.32 H new ATOM 0 HB2 LEU A 659 -4.050 -5.014 4.088 1.00 70.34 H new ATOM 0 HB3 LEU A 659 -5.464 -4.013 3.819 1.00 70.34 H new ATOM 0 HG LEU A 659 -4.594 -2.410 5.540 1.00 70.13 H new ATOM 0 HD11 LEU A 659 -2.219 -2.570 6.171 1.00 12.33 H new ATOM 0 HD12 LEU A 659 -3.160 -3.952 6.782 1.00 12.33 H new ATOM 0 HD13 LEU A 659 -2.114 -4.149 5.356 1.00 12.33 H new ATOM 0 HD21 LEU A 659 -2.864 -1.453 4.068 1.00 40.10 H new ATOM 0 HD22 LEU A 659 -2.785 -2.988 3.171 1.00 40.10 H new ATOM 0 HD23 LEU A 659 -4.276 -2.018 3.145 1.00 40.10 H new ATOM 971 N LYS A 660 -7.137 -3.466 6.459 1.00 0.55 N ATOM 972 CA LYS A 660 -8.476 -2.907 6.601 1.00 61.31 C ATOM 973 C LYS A 660 -8.794 -1.956 5.451 1.00 60.20 C ATOM 974 O LYS A 660 -7.904 -1.471 4.752 1.00 70.55 O ATOM 975 CB LYS A 660 -8.605 -2.172 7.937 1.00 55.33 C ATOM 976 CG LYS A 660 -9.101 -3.052 9.071 1.00 53.12 C ATOM 977 CD LYS A 660 -7.960 -3.812 9.726 1.00 52.01 C ATOM 978 CE LYS A 660 -8.475 -4.962 10.578 1.00 22.22 C ATOM 979 NZ LYS A 660 -8.685 -4.551 11.994 1.00 52.40 N ATOM 0 H LYS A 660 -6.407 -2.935 6.934 1.00 0.55 H new ATOM 0 HA LYS A 660 -9.191 -3.730 6.576 1.00 61.31 H new ATOM 0 HB2 LYS A 660 -7.634 -1.757 8.209 1.00 55.33 H new ATOM 0 HB3 LYS A 660 -9.288 -1.332 7.815 1.00 55.33 H new ATOM 0 HG2 LYS A 660 -9.605 -2.437 9.816 1.00 53.12 H new ATOM 0 HG3 LYS A 660 -9.838 -3.758 8.689 1.00 53.12 H new ATOM 0 HD2 LYS A 660 -7.290 -4.198 8.958 1.00 52.01 H new ATOM 0 HD3 LYS A 660 -7.376 -3.131 10.346 1.00 52.01 H new ATOM 0 HE2 LYS A 660 -9.414 -5.330 10.163 1.00 22.22 H new ATOM 0 HE3 LYS A 660 -7.765 -5.788 10.541 1.00 22.22 H new ATOM 0 HZ1 LYS A 660 -9.036 -5.362 12.542 1.00 52.40 H new ATOM 0 HZ2 LYS A 660 -7.784 -4.224 12.398 1.00 52.40 H new ATOM 0 HZ3 LYS A 660 -9.382 -3.780 12.032 1.00 52.40 H new ATOM 993 N PRO A 661 -10.091 -1.681 5.250 1.00 21.14 N ATOM 994 CA PRO A 661 -10.555 -0.785 4.188 1.00 2.04 C ATOM 995 C PRO A 661 -10.187 0.670 4.456 1.00 42.43 C ATOM 996 O PRO A 661 -9.919 1.433 3.528 1.00 52.51 O ATOM 997 CB PRO A 661 -12.074 -0.965 4.211 1.00 55.05 C ATOM 998 CG PRO A 661 -12.384 -1.404 5.600 1.00 63.21 C ATOM 999 CD PRO A 661 -11.205 -2.224 6.046 1.00 23.43 C ATOM 0 HA PRO A 661 -10.099 -1.021 3.227 1.00 2.04 H new ATOM 0 HB2 PRO A 661 -12.586 -0.034 3.967 1.00 55.05 H new ATOM 0 HB3 PRO A 661 -12.396 -1.707 3.480 1.00 55.05 H new ATOM 0 HG2 PRO A 661 -12.534 -0.547 6.256 1.00 63.21 H new ATOM 0 HG3 PRO A 661 -13.302 -1.992 5.628 1.00 63.21 H new ATOM 0 HD2 PRO A 661 -11.024 -2.118 7.116 1.00 23.43 H new ATOM 0 HD3 PRO A 661 -11.357 -3.286 5.852 1.00 23.43 H new ATOM 1007 N SER A 662 -10.175 1.049 5.730 1.00 60.23 N ATOM 1008 CA SER A 662 -9.843 2.413 6.119 1.00 44.51 C ATOM 1009 C SER A 662 -8.458 2.803 5.608 1.00 51.20 C ATOM 1010 O SER A 662 -8.294 3.825 4.942 1.00 50.14 O ATOM 1011 CB SER A 662 -9.896 2.560 7.641 1.00 34.12 C ATOM 1012 OG SER A 662 -9.006 3.569 8.088 1.00 32.53 O ATOM 0 H SER A 662 -10.392 0.429 6.511 1.00 60.23 H new ATOM 0 HA SER A 662 -10.579 3.081 5.670 1.00 44.51 H new ATOM 0 HB2 SER A 662 -10.912 2.804 7.951 1.00 34.12 H new ATOM 0 HB3 SER A 662 -9.639 1.610 8.110 1.00 34.12 H new ATOM 0 HG SER A 662 -9.060 3.644 9.064 1.00 32.53 H new ATOM 1018 N THR A 663 -7.464 1.980 5.925 1.00 34.45 N ATOM 1019 CA THR A 663 -6.094 2.236 5.500 1.00 13.12 C ATOM 1020 C THR A 663 -5.956 2.114 3.987 1.00 11.25 C ATOM 1021 O THR A 663 -5.351 2.969 3.338 1.00 23.05 O ATOM 1022 CB THR A 663 -5.106 1.265 6.175 1.00 53.22 C ATOM 1023 OG1 THR A 663 -5.167 1.414 7.597 1.00 23.33 O ATOM 1024 CG2 THR A 663 -3.685 1.520 5.693 1.00 23.33 C ATOM 0 H THR A 663 -7.582 1.129 6.475 1.00 34.45 H new ATOM 0 HA THR A 663 -5.854 3.255 5.803 1.00 13.12 H new ATOM 0 HB THR A 663 -5.388 0.247 5.905 1.00 53.22 H new ATOM 0 HG1 THR A 663 -5.113 0.532 8.021 1.00 23.33 H new ATOM 0 HG21 THR A 663 -3.004 0.823 6.182 1.00 23.33 H new ATOM 0 HG22 THR A 663 -3.636 1.377 4.613 1.00 23.33 H new ATOM 0 HG23 THR A 663 -3.396 2.542 5.938 1.00 23.33 H new ATOM 1032 N LEU A 664 -6.520 1.049 3.429 1.00 22.45 N ATOM 1033 CA LEU A 664 -6.460 0.816 1.991 1.00 34.54 C ATOM 1034 C LEU A 664 -6.873 2.065 1.219 1.00 13.15 C ATOM 1035 O LEU A 664 -6.198 2.476 0.275 1.00 20.55 O ATOM 1036 CB LEU A 664 -7.363 -0.357 1.607 1.00 73.44 C ATOM 1037 CG LEU A 664 -6.672 -1.711 1.441 1.00 42.12 C ATOM 1038 CD1 LEU A 664 -7.410 -2.786 2.223 1.00 4.13 C ATOM 1039 CD2 LEU A 664 -6.581 -2.087 -0.030 1.00 65.02 C ATOM 0 H LEU A 664 -7.024 0.333 3.951 1.00 22.45 H new ATOM 0 HA LEU A 664 -5.430 0.574 1.729 1.00 34.54 H new ATOM 0 HB2 LEU A 664 -8.137 -0.458 2.368 1.00 73.44 H new ATOM 0 HB3 LEU A 664 -7.866 -0.111 0.672 1.00 73.44 H new ATOM 0 HG LEU A 664 -5.660 -1.632 1.838 1.00 42.12 H new ATOM 0 HD11 LEU A 664 -6.904 -3.743 2.093 1.00 4.13 H new ATOM 0 HD12 LEU A 664 -7.422 -2.523 3.281 1.00 4.13 H new ATOM 0 HD13 LEU A 664 -8.434 -2.864 1.857 1.00 4.13 H new ATOM 0 HD21 LEU A 664 -6.086 -3.053 -0.129 1.00 65.02 H new ATOM 0 HD22 LEU A 664 -7.584 -2.148 -0.453 1.00 65.02 H new ATOM 0 HD23 LEU A 664 -6.007 -1.330 -0.564 1.00 65.02 H new ATOM 1051 N ARG A 665 -7.985 2.666 1.629 1.00 54.32 N ATOM 1052 CA ARG A 665 -8.488 3.869 0.977 1.00 40.21 C ATOM 1053 C ARG A 665 -7.503 5.023 1.131 1.00 22.01 C ATOM 1054 O ARG A 665 -7.396 5.882 0.256 1.00 32.25 O ATOM 1055 CB ARG A 665 -9.846 4.263 1.562 1.00 44.12 C ATOM 1056 CG ARG A 665 -10.619 5.246 0.699 1.00 71.22 C ATOM 1057 CD ARG A 665 -12.120 5.110 0.907 1.00 63.24 C ATOM 1058 NE ARG A 665 -12.787 6.408 0.946 1.00 21.11 N ATOM 1059 CZ ARG A 665 -12.635 7.283 1.934 1.00 34.52 C ATOM 1060 NH1 ARG A 665 -11.843 6.999 2.959 1.00 42.04 N ATOM 1061 NH2 ARG A 665 -13.276 8.444 1.899 1.00 71.24 N ATOM 0 H ARG A 665 -8.555 2.340 2.410 1.00 54.32 H new ATOM 0 HA ARG A 665 -8.606 3.653 -0.085 1.00 40.21 H new ATOM 0 HB2 ARG A 665 -10.447 3.364 1.701 1.00 44.12 H new ATOM 0 HB3 ARG A 665 -9.694 4.700 2.549 1.00 44.12 H new ATOM 0 HG2 ARG A 665 -10.308 6.263 0.937 1.00 71.22 H new ATOM 0 HG3 ARG A 665 -10.379 5.077 -0.351 1.00 71.22 H new ATOM 0 HD2 ARG A 665 -12.544 4.509 0.103 1.00 63.24 H new ATOM 0 HD3 ARG A 665 -12.310 4.577 1.838 1.00 63.24 H new ATOM 0 HE ARG A 665 -13.403 6.657 0.172 1.00 21.11 H new ATOM 0 HH11 ARG A 665 -11.349 6.107 2.990 1.00 42.04 H new ATOM 0 HH12 ARG A 665 -11.728 7.672 3.716 1.00 42.04 H new ATOM 0 HH21 ARG A 665 -13.887 8.666 1.113 1.00 71.24 H new ATOM 0 HH22 ARG A 665 -13.158 9.115 2.658 1.00 71.24 H new ATOM 1075 N GLU A 666 -6.784 5.036 2.249 1.00 51.01 N ATOM 1076 CA GLU A 666 -5.808 6.086 2.517 1.00 32.23 C ATOM 1077 C GLU A 666 -4.781 6.174 1.392 1.00 22.34 C ATOM 1078 O GLU A 666 -4.591 7.232 0.791 1.00 54.21 O ATOM 1079 CB GLU A 666 -5.101 5.827 3.849 1.00 21.14 C ATOM 1080 CG GLU A 666 -4.639 7.094 4.550 1.00 21.21 C ATOM 1081 CD GLU A 666 -5.772 8.073 4.790 1.00 4.24 C ATOM 1082 OE1 GLU A 666 -6.020 8.921 3.907 1.00 63.50 O ATOM 1083 OE2 GLU A 666 -6.408 7.993 5.861 1.00 33.22 O ATOM 0 H GLU A 666 -6.859 4.332 2.983 1.00 51.01 H new ATOM 0 HA GLU A 666 -6.340 7.036 2.575 1.00 32.23 H new ATOM 0 HB2 GLU A 666 -5.776 5.282 4.509 1.00 21.14 H new ATOM 0 HB3 GLU A 666 -4.239 5.184 3.674 1.00 21.14 H new ATOM 0 HG2 GLU A 666 -4.182 6.831 5.504 1.00 21.21 H new ATOM 0 HG3 GLU A 666 -3.868 7.576 3.950 1.00 21.21 H new ATOM 1090 N LEU A 667 -4.119 5.055 1.114 1.00 14.42 N ATOM 1091 CA LEU A 667 -3.110 5.005 0.062 1.00 55.31 C ATOM 1092 C LEU A 667 -3.661 5.559 -1.248 1.00 61.11 C ATOM 1093 O LEU A 667 -3.116 6.509 -1.809 1.00 64.42 O ATOM 1094 CB LEU A 667 -2.629 3.568 -0.141 1.00 71.24 C ATOM 1095 CG LEU A 667 -2.127 2.844 1.109 1.00 20.11 C ATOM 1096 CD1 LEU A 667 -1.601 3.843 2.128 1.00 62.30 C ATOM 1097 CD2 LEU A 667 -3.235 1.995 1.714 1.00 24.02 C ATOM 0 H LEU A 667 -4.263 4.171 1.602 1.00 14.42 H new ATOM 0 HA LEU A 667 -2.267 5.624 0.370 1.00 55.31 H new ATOM 0 HB2 LEU A 667 -3.448 2.989 -0.567 1.00 71.24 H new ATOM 0 HB3 LEU A 667 -1.827 3.576 -0.879 1.00 71.24 H new ATOM 0 HG LEU A 667 -1.308 2.185 0.821 1.00 20.11 H new ATOM 0 HD11 LEU A 667 -1.248 3.310 3.011 1.00 62.30 H new ATOM 0 HD12 LEU A 667 -0.777 4.408 1.692 1.00 62.30 H new ATOM 0 HD13 LEU A 667 -2.400 4.527 2.413 1.00 62.30 H new ATOM 0 HD21 LEU A 667 -2.860 1.487 2.603 1.00 24.02 H new ATOM 0 HD22 LEU A 667 -4.074 2.634 1.988 1.00 24.02 H new ATOM 0 HD23 LEU A 667 -3.565 1.255 0.985 1.00 24.02 H new ATOM 1109 N GLU A 668 -4.747 4.960 -1.727 1.00 63.44 N ATOM 1110 CA GLU A 668 -5.372 5.396 -2.971 1.00 20.52 C ATOM 1111 C GLU A 668 -5.639 6.898 -2.949 1.00 11.10 C ATOM 1112 O GLU A 668 -5.540 7.571 -3.974 1.00 40.42 O ATOM 1113 CB GLU A 668 -6.680 4.637 -3.203 1.00 35.22 C ATOM 1114 CG GLU A 668 -7.137 4.638 -4.652 1.00 64.14 C ATOM 1115 CD GLU A 668 -7.680 3.293 -5.094 1.00 1.22 C ATOM 1116 OE1 GLU A 668 -6.884 2.462 -5.578 1.00 43.21 O ATOM 1117 OE2 GLU A 668 -8.901 3.072 -4.956 1.00 54.04 O ATOM 0 H GLU A 668 -5.212 4.173 -1.274 1.00 63.44 H new ATOM 0 HA GLU A 668 -4.685 5.179 -3.789 1.00 20.52 H new ATOM 0 HB2 GLU A 668 -6.556 3.606 -2.871 1.00 35.22 H new ATOM 0 HB3 GLU A 668 -7.461 5.079 -2.584 1.00 35.22 H new ATOM 0 HG2 GLU A 668 -7.907 5.398 -4.786 1.00 64.14 H new ATOM 0 HG3 GLU A 668 -6.300 4.916 -5.293 1.00 64.14 H new ATOM 1124 N ARG A 669 -5.978 7.415 -1.773 1.00 60.31 N ATOM 1125 CA ARG A 669 -6.262 8.837 -1.617 1.00 63.22 C ATOM 1126 C ARG A 669 -5.061 9.680 -2.035 1.00 63.14 C ATOM 1127 O ARG A 669 -5.216 10.781 -2.564 1.00 25.54 O ATOM 1128 CB ARG A 669 -6.635 9.147 -0.166 1.00 54.14 C ATOM 1129 CG ARG A 669 -7.949 9.900 -0.024 1.00 71.51 C ATOM 1130 CD ARG A 669 -7.719 11.387 0.190 1.00 12.35 C ATOM 1131 NE ARG A 669 -8.852 12.188 -0.265 1.00 63.40 N ATOM 1132 CZ ARG A 669 -8.984 13.485 -0.014 1.00 43.32 C ATOM 1133 NH1 ARG A 669 -8.056 14.126 0.685 1.00 51.34 N ATOM 1134 NH2 ARG A 669 -10.043 14.145 -0.462 1.00 52.41 N ATOM 0 H ARG A 669 -6.063 6.871 -0.914 1.00 60.31 H new ATOM 0 HA ARG A 669 -7.103 9.087 -2.264 1.00 63.22 H new ATOM 0 HB2 ARG A 669 -6.699 8.213 0.392 1.00 54.14 H new ATOM 0 HB3 ARG A 669 -5.838 9.735 0.288 1.00 54.14 H new ATOM 0 HG2 ARG A 669 -8.554 9.749 -0.918 1.00 71.51 H new ATOM 0 HG3 ARG A 669 -8.513 9.494 0.815 1.00 71.51 H new ATOM 0 HD2 ARG A 669 -7.542 11.578 1.249 1.00 12.35 H new ATOM 0 HD3 ARG A 669 -6.820 11.695 -0.344 1.00 12.35 H new ATOM 0 HE ARG A 669 -9.583 11.725 -0.806 1.00 63.40 H new ATOM 0 HH11 ARG A 669 -7.239 13.622 1.031 1.00 51.34 H new ATOM 0 HH12 ARG A 669 -8.159 15.122 0.877 1.00 51.34 H new ATOM 0 HH21 ARG A 669 -10.758 13.656 -1.001 1.00 52.41 H new ATOM 0 HH22 ARG A 669 -10.143 15.141 -0.268 1.00 52.41 H new ATOM 1148 N TYR A 670 -3.864 9.155 -1.796 1.00 34.02 N ATOM 1149 CA TYR A 670 -2.636 9.860 -2.145 1.00 31.43 C ATOM 1150 C TYR A 670 -2.299 9.669 -3.620 1.00 31.32 C ATOM 1151 O TYR A 670 -2.151 10.636 -4.366 1.00 4.10 O ATOM 1152 CB TYR A 670 -1.476 9.368 -1.276 1.00 74.42 C ATOM 1153 CG TYR A 670 -0.986 10.396 -0.282 1.00 72.21 C ATOM 1154 CD1 TYR A 670 -0.169 11.446 -0.684 1.00 23.20 C ATOM 1155 CD2 TYR A 670 -1.338 10.317 1.059 1.00 14.02 C ATOM 1156 CE1 TYR A 670 0.282 12.387 0.221 1.00 31.04 C ATOM 1157 CE2 TYR A 670 -0.894 11.255 1.971 1.00 62.21 C ATOM 1158 CZ TYR A 670 -0.083 12.287 1.547 1.00 31.12 C ATOM 1159 OH TYR A 670 0.363 13.222 2.452 1.00 23.34 O ATOM 0 H TYR A 670 -3.718 8.244 -1.362 1.00 34.02 H new ATOM 0 HA TYR A 670 -2.792 10.923 -1.962 1.00 31.43 H new ATOM 0 HB2 TYR A 670 -1.791 8.475 -0.737 1.00 74.42 H new ATOM 0 HB3 TYR A 670 -0.648 9.076 -1.922 1.00 74.42 H new ATOM 0 HD1 TYR A 670 0.118 11.528 -1.722 1.00 23.20 H new ATOM 0 HD2 TYR A 670 -1.970 9.508 1.395 1.00 14.02 H new ATOM 0 HE1 TYR A 670 0.917 13.196 -0.108 1.00 31.04 H new ATOM 0 HE2 TYR A 670 -1.180 11.181 3.010 1.00 62.21 H new ATOM 0 HH TYR A 670 0.014 13.008 3.342 1.00 23.34 H new ATOM 1169 N VAL A 671 -2.179 8.411 -4.035 1.00 1.21 N ATOM 1170 CA VAL A 671 -1.861 8.091 -5.420 1.00 70.43 C ATOM 1171 C VAL A 671 -2.862 8.730 -6.376 1.00 40.45 C ATOM 1172 O VAL A 671 -2.519 9.087 -7.505 1.00 12.14 O ATOM 1173 CB VAL A 671 -1.844 6.568 -5.655 1.00 11.12 C ATOM 1174 CG1 VAL A 671 -3.263 6.031 -5.775 1.00 4.10 C ATOM 1175 CG2 VAL A 671 -1.030 6.229 -6.894 1.00 52.42 C ATOM 0 H VAL A 671 -2.297 7.598 -3.431 1.00 1.21 H new ATOM 0 HA VAL A 671 -0.867 8.493 -5.617 1.00 70.43 H new ATOM 0 HB VAL A 671 -1.371 6.090 -4.797 1.00 11.12 H new ATOM 0 HG11 VAL A 671 -3.232 4.954 -5.941 1.00 4.10 H new ATOM 0 HG12 VAL A 671 -3.810 6.241 -4.856 1.00 4.10 H new ATOM 0 HG13 VAL A 671 -3.765 6.513 -6.614 1.00 4.10 H new ATOM 0 HG21 VAL A 671 -1.029 5.149 -7.044 1.00 52.42 H new ATOM 0 HG22 VAL A 671 -1.471 6.716 -7.764 1.00 52.42 H new ATOM 0 HG23 VAL A 671 -0.006 6.578 -6.763 1.00 52.42 H new ATOM 1185 N THR A 672 -4.102 8.872 -5.918 1.00 43.15 N ATOM 1186 CA THR A 672 -5.153 9.469 -6.732 1.00 74.03 C ATOM 1187 C THR A 672 -4.988 10.981 -6.822 1.00 12.21 C ATOM 1188 O THR A 672 -5.268 11.585 -7.857 1.00 13.11 O ATOM 1189 CB THR A 672 -6.550 9.149 -6.167 1.00 12.03 C ATOM 1190 OG1 THR A 672 -6.792 7.739 -6.226 1.00 23.41 O ATOM 1191 CG2 THR A 672 -7.630 9.887 -6.944 1.00 23.13 C ATOM 0 H THR A 672 -4.403 8.582 -4.988 1.00 43.15 H new ATOM 0 HA THR A 672 -5.064 9.037 -7.729 1.00 74.03 H new ATOM 0 HB THR A 672 -6.582 9.479 -5.129 1.00 12.03 H new ATOM 0 HG1 THR A 672 -6.596 7.337 -5.354 1.00 23.41 H new ATOM 0 HG21 THR A 672 -8.608 9.645 -6.527 1.00 23.13 H new ATOM 0 HG22 THR A 672 -7.460 10.961 -6.872 1.00 23.13 H new ATOM 0 HG23 THR A 672 -7.597 9.584 -7.990 1.00 23.13 H new ATOM 1199 N SER A 673 -4.531 11.589 -5.731 1.00 64.34 N ATOM 1200 CA SER A 673 -4.331 13.032 -5.687 1.00 23.15 C ATOM 1201 C SER A 673 -3.115 13.438 -6.514 1.00 52.11 C ATOM 1202 O SER A 673 -3.082 14.522 -7.098 1.00 22.14 O ATOM 1203 CB SER A 673 -4.158 13.500 -4.241 1.00 2.11 C ATOM 1204 OG SER A 673 -4.266 14.910 -4.144 1.00 32.42 O ATOM 0 H SER A 673 -4.293 11.104 -4.866 1.00 64.34 H new ATOM 0 HA SER A 673 -5.214 13.509 -6.113 1.00 23.15 H new ATOM 0 HB2 SER A 673 -4.913 13.030 -3.611 1.00 2.11 H new ATOM 0 HB3 SER A 673 -3.186 13.180 -3.866 1.00 2.11 H new ATOM 0 HG SER A 673 -4.153 15.183 -3.210 1.00 32.42 H new ATOM 1210 N CYS A 674 -2.118 12.561 -6.558 1.00 51.24 N ATOM 1211 CA CYS A 674 -0.898 12.827 -7.313 1.00 72.02 C ATOM 1212 C CYS A 674 -1.092 12.503 -8.791 1.00 4.12 C ATOM 1213 O CYS A 674 -0.739 13.298 -9.663 1.00 32.22 O ATOM 1214 CB CYS A 674 0.265 12.011 -6.747 1.00 35.13 C ATOM 1215 SG CYS A 674 1.879 12.805 -6.922 1.00 40.41 S ATOM 0 H CYS A 674 -2.130 11.660 -6.080 1.00 51.24 H new ATOM 0 HA CYS A 674 -0.666 13.888 -7.220 1.00 72.02 H new ATOM 0 HB2 CYS A 674 0.079 11.819 -5.690 1.00 35.13 H new ATOM 0 HB3 CYS A 674 0.292 11.043 -7.247 1.00 35.13 H new ATOM 0 HG CYS A 674 2.816 11.910 -6.817 1.00 40.41 H new ATOM 1221 N LEU A 675 -1.653 11.330 -9.065 1.00 44.43 N ATOM 1222 CA LEU A 675 -1.891 10.898 -10.438 1.00 44.50 C ATOM 1223 C LEU A 675 -3.280 11.320 -10.908 1.00 5.23 C ATOM 1224 O LEU A 675 -3.777 10.833 -11.922 1.00 42.52 O ATOM 1225 CB LEU A 675 -1.741 9.381 -10.550 1.00 33.02 C ATOM 1226 CG LEU A 675 -0.571 8.883 -11.400 1.00 73.31 C ATOM 1227 CD1 LEU A 675 -0.852 9.105 -12.878 1.00 33.22 C ATOM 1228 CD2 LEU A 675 0.719 9.578 -10.990 1.00 63.41 C ATOM 0 H LEU A 675 -1.951 10.661 -8.355 1.00 44.43 H new ATOM 0 HA LEU A 675 -1.150 11.377 -11.077 1.00 44.50 H new ATOM 0 HB2 LEU A 675 -1.634 8.971 -9.546 1.00 33.02 H new ATOM 0 HB3 LEU A 675 -2.664 8.974 -10.964 1.00 33.02 H new ATOM 0 HG LEU A 675 -0.453 7.813 -11.231 1.00 73.31 H new ATOM 0 HD11 LEU A 675 -0.009 8.745 -13.467 1.00 33.22 H new ATOM 0 HD12 LEU A 675 -1.752 8.561 -13.163 1.00 33.22 H new ATOM 0 HD13 LEU A 675 -0.997 10.169 -13.065 1.00 33.22 H new ATOM 0 HD21 LEU A 675 1.541 9.212 -11.605 1.00 63.41 H new ATOM 0 HD22 LEU A 675 0.613 10.654 -11.130 1.00 63.41 H new ATOM 0 HD23 LEU A 675 0.928 9.367 -9.941 1.00 63.41 H new ATOM 1240 N ARG A 676 -3.899 12.230 -10.162 1.00 52.23 N ATOM 1241 CA ARG A 676 -5.231 12.718 -10.503 1.00 0.24 C ATOM 1242 C ARG A 676 -6.236 11.571 -10.546 1.00 71.54 C ATOM 1243 O ARG A 676 -5.925 10.444 -10.160 1.00 62.52 O ATOM 1244 CB ARG A 676 -5.204 13.438 -11.852 1.00 60.23 C ATOM 1245 CG ARG A 676 -6.052 14.698 -11.887 1.00 42.53 C ATOM 1246 CD ARG A 676 -5.411 15.777 -12.747 1.00 51.13 C ATOM 1247 NE ARG A 676 -6.229 16.986 -12.810 1.00 22.31 N ATOM 1248 CZ ARG A 676 -5.765 18.168 -13.198 1.00 0.24 C ATOM 1249 NH1 ARG A 676 -4.495 18.300 -13.557 1.00 53.33 N ATOM 1250 NH2 ARG A 676 -6.571 19.221 -13.227 1.00 71.24 N ATOM 0 H ARG A 676 -3.501 12.644 -9.319 1.00 52.23 H new ATOM 0 HA ARG A 676 -5.542 13.421 -9.730 1.00 0.24 H new ATOM 0 HB2 ARG A 676 -4.174 13.697 -12.095 1.00 60.23 H new ATOM 0 HB3 ARG A 676 -5.552 12.754 -12.626 1.00 60.23 H new ATOM 0 HG2 ARG A 676 -7.042 14.461 -12.277 1.00 42.53 H new ATOM 0 HG3 ARG A 676 -6.190 15.073 -10.873 1.00 42.53 H new ATOM 0 HD2 ARG A 676 -4.429 16.025 -12.345 1.00 51.13 H new ATOM 0 HD3 ARG A 676 -5.255 15.392 -13.755 1.00 51.13 H new ATOM 0 HE ARG A 676 -7.211 16.918 -12.541 1.00 22.31 H new ATOM 0 HH11 ARG A 676 -3.872 17.492 -13.535 1.00 53.33 H new ATOM 0 HH12 ARG A 676 -4.141 19.209 -13.855 1.00 53.33 H new ATOM 0 HH21 ARG A 676 -7.548 19.123 -12.951 1.00 71.24 H new ATOM 0 HH22 ARG A 676 -6.214 20.129 -13.525 1.00 71.24 H new ATOM 1264 N LYS A 677 -7.442 11.865 -11.019 1.00 12.42 N ATOM 1265 CA LYS A 677 -8.494 10.859 -11.114 1.00 11.45 C ATOM 1266 C LYS A 677 -9.300 11.036 -12.396 1.00 53.12 C ATOM 1267 O LYS A 677 -9.875 12.098 -12.639 1.00 34.50 O ATOM 1268 CB LYS A 677 -9.421 10.945 -9.900 1.00 30.02 C ATOM 1269 CG LYS A 677 -9.986 9.602 -9.470 1.00 60.54 C ATOM 1270 CD LYS A 677 -11.163 9.769 -8.524 1.00 74.12 C ATOM 1271 CE LYS A 677 -11.229 8.638 -7.510 1.00 61.45 C ATOM 1272 NZ LYS A 677 -12.588 8.501 -6.918 1.00 54.22 N ATOM 0 H LYS A 677 -7.716 12.793 -11.343 1.00 12.42 H new ATOM 0 HA LYS A 677 -8.023 9.876 -11.134 1.00 11.45 H new ATOM 0 HB2 LYS A 677 -8.874 11.383 -9.066 1.00 30.02 H new ATOM 0 HB3 LYS A 677 -10.246 11.620 -10.130 1.00 30.02 H new ATOM 0 HG2 LYS A 677 -10.302 9.041 -10.349 1.00 60.54 H new ATOM 0 HG3 LYS A 677 -9.206 9.018 -8.982 1.00 60.54 H new ATOM 0 HD2 LYS A 677 -11.079 10.722 -8.002 1.00 74.12 H new ATOM 0 HD3 LYS A 677 -12.090 9.800 -9.097 1.00 74.12 H new ATOM 0 HE2 LYS A 677 -10.947 7.702 -7.992 1.00 61.45 H new ATOM 0 HE3 LYS A 677 -10.504 8.819 -6.716 1.00 61.45 H new ATOM 0 HZ1 LYS A 677 -12.591 7.719 -6.232 1.00 54.22 H new ATOM 0 HZ2 LYS A 677 -12.848 9.385 -6.436 1.00 54.22 H new ATOM 0 HZ3 LYS A 677 -13.277 8.303 -7.672 1.00 54.22 H new ATOM 1286 N LYS A 678 -9.341 9.989 -13.214 1.00 35.14 N ATOM 1287 CA LYS A 678 -10.080 10.027 -14.470 1.00 30.32 C ATOM 1288 C LYS A 678 -11.488 9.465 -14.290 1.00 3.52 C ATOM 1289 O LYS A 678 -12.408 10.230 -14.005 1.00 1.13 O ATOM 1290 CB LYS A 678 -9.337 9.233 -15.546 1.00 13.30 C ATOM 1291 CG LYS A 678 -10.036 9.234 -16.895 1.00 53.42 C ATOM 1292 CD LYS A 678 -9.504 8.137 -17.800 1.00 21.13 C ATOM 1293 CE LYS A 678 -10.626 7.461 -18.575 1.00 44.21 C ATOM 1294 NZ LYS A 678 -10.123 6.791 -19.807 1.00 1.24 N ATOM 0 H LYS A 678 -8.870 9.103 -13.029 1.00 35.14 H new ATOM 0 HA LYS A 678 -10.160 11.068 -14.785 1.00 30.32 H new ATOM 0 HB2 LYS A 678 -8.336 9.647 -15.665 1.00 13.30 H new ATOM 0 HB3 LYS A 678 -9.218 8.203 -15.209 1.00 13.30 H new ATOM 0 HG2 LYS A 678 -11.108 9.099 -16.750 1.00 53.42 H new ATOM 0 HG3 LYS A 678 -9.898 10.202 -17.376 1.00 53.42 H new ATOM 0 HD2 LYS A 678 -8.781 8.558 -18.498 1.00 21.13 H new ATOM 0 HD3 LYS A 678 -8.975 7.395 -17.202 1.00 21.13 H new ATOM 0 HE2 LYS A 678 -11.117 6.727 -17.937 1.00 44.21 H new ATOM 0 HE3 LYS A 678 -11.378 8.202 -18.846 1.00 44.21 H new ATOM 0 HZ1 LYS A 678 -10.917 6.342 -20.307 1.00 1.24 H new ATOM 0 HZ2 LYS A 678 -9.677 7.496 -20.428 1.00 1.24 H new ATOM 0 HZ3 LYS A 678 -9.424 6.066 -19.547 1.00 1.24 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 17.059 3.059 -3.380 1.00 54.03 N ATOM 1310 CA THR B 389 15.722 3.567 -3.102 1.00 14.52 C ATOM 1311 C THR B 389 14.793 2.450 -2.642 1.00 51.20 C ATOM 1312 O THR B 389 15.232 1.327 -2.398 1.00 25.04 O ATOM 1313 CB THR B 389 15.111 4.250 -4.341 1.00 13.33 C ATOM 1314 OG1 THR B 389 16.078 4.308 -5.395 1.00 31.30 O ATOM 1315 CG2 THR B 389 14.635 5.655 -4.005 1.00 0.42 C ATOM 0 HA THR B 389 15.824 4.302 -2.304 1.00 14.52 H new ATOM 0 HB THR B 389 14.254 3.661 -4.667 1.00 13.33 H new ATOM 0 HG1 THR B 389 16.850 3.751 -5.162 1.00 31.30 H new ATOM 0 HG21 THR B 389 14.208 6.117 -4.895 1.00 0.42 H new ATOM 0 HG22 THR B 389 13.878 5.605 -3.223 1.00 0.42 H new ATOM 0 HG23 THR B 389 15.478 6.251 -3.656 1.00 0.42 H new ATOM 1323 N TRP B 390 13.508 2.765 -2.528 1.00 13.14 N ATOM 1324 CA TRP B 390 12.516 1.785 -2.097 1.00 41.20 C ATOM 1325 C TRP B 390 12.173 0.825 -3.230 1.00 32.21 C ATOM 1326 O TRP B 390 12.569 1.036 -4.377 1.00 35.14 O ATOM 1327 CB TRP B 390 11.250 2.491 -1.609 1.00 43.33 C ATOM 1328 CG TRP B 390 11.276 2.814 -0.145 1.00 64.23 C ATOM 1329 CD1 TRP B 390 11.920 3.860 0.452 1.00 52.42 C ATOM 1330 CD2 TRP B 390 10.633 2.084 0.904 1.00 14.44 C ATOM 1331 NE1 TRP B 390 11.715 3.825 1.810 1.00 4.20 N ATOM 1332 CE2 TRP B 390 10.928 2.746 2.113 1.00 4.12 C ATOM 1333 CE3 TRP B 390 9.834 0.939 0.942 1.00 30.13 C ATOM 1334 CZ2 TRP B 390 10.453 2.297 3.342 1.00 22.31 C ATOM 1335 CZ3 TRP B 390 9.363 0.494 2.163 1.00 23.41 C ATOM 1336 CH2 TRP B 390 9.673 1.172 3.349 1.00 24.13 C ATOM 0 H TRP B 390 13.128 3.690 -2.728 1.00 13.14 H new ATOM 0 HA TRP B 390 12.942 1.210 -1.275 1.00 41.20 H new ATOM 0 HB2 TRP B 390 11.116 3.413 -2.175 1.00 43.33 H new ATOM 0 HB3 TRP B 390 10.387 1.860 -1.819 1.00 43.33 H new ATOM 0 HD1 TRP B 390 12.505 4.605 -0.067 1.00 52.42 H new ATOM 0 HE1 TRP B 390 12.088 4.494 2.483 1.00 4.20 H new ATOM 0 HE3 TRP B 390 9.588 0.410 0.033 1.00 30.13 H new ATOM 0 HZ2 TRP B 390 10.691 2.818 4.258 1.00 22.31 H new ATOM 0 HZ3 TRP B 390 8.746 -0.391 2.203 1.00 23.41 H new ATOM 0 HH2 TRP B 390 9.289 0.800 4.287 1.00 24.13 H new ATOM 1347 N ARG B 391 11.435 -0.232 -2.902 1.00 3.53 N ATOM 1348 CA ARG B 391 11.040 -1.224 -3.893 1.00 32.35 C ATOM 1349 C ARG B 391 9.773 -1.955 -3.456 1.00 11.22 C ATOM 1350 O ARG B 391 9.296 -1.775 -2.335 1.00 65.04 O ATOM 1351 CB ARG B 391 12.170 -2.231 -4.116 1.00 20.05 C ATOM 1352 CG ARG B 391 12.665 -2.886 -2.836 1.00 0.51 C ATOM 1353 CD ARG B 391 14.096 -3.381 -2.980 1.00 35.20 C ATOM 1354 NE ARG B 391 14.212 -4.431 -3.989 1.00 54.00 N ATOM 1355 CZ ARG B 391 15.265 -5.232 -4.097 1.00 43.20 C ATOM 1356 NH1 ARG B 391 16.288 -5.105 -3.263 1.00 4.20 N ATOM 1357 NH2 ARG B 391 15.298 -6.163 -5.042 1.00 32.52 N ATOM 0 H ARG B 391 11.099 -0.422 -1.958 1.00 3.53 H new ATOM 0 HA ARG B 391 10.835 -0.704 -4.829 1.00 32.35 H new ATOM 0 HB2 ARG B 391 11.825 -3.006 -4.800 1.00 20.05 H new ATOM 0 HB3 ARG B 391 13.005 -1.726 -4.602 1.00 20.05 H new ATOM 0 HG2 ARG B 391 12.607 -2.172 -2.015 1.00 0.51 H new ATOM 0 HG3 ARG B 391 12.014 -3.722 -2.578 1.00 0.51 H new ATOM 0 HD2 ARG B 391 14.743 -2.546 -3.249 1.00 35.20 H new ATOM 0 HD3 ARG B 391 14.447 -3.760 -2.020 1.00 35.20 H new ATOM 0 HE ARG B 391 13.442 -4.555 -4.646 1.00 54.00 H new ATOM 0 HH11 ARG B 391 16.267 -4.390 -2.536 1.00 4.20 H new ATOM 0 HH12 ARG B 391 17.096 -5.722 -3.349 1.00 4.20 H new ATOM 0 HH21 ARG B 391 14.514 -6.264 -5.686 1.00 32.52 H new ATOM 0 HH22 ARG B 391 16.108 -6.778 -5.124 1.00 32.52 H new ATOM 1371 N VAL B 392 9.233 -2.778 -4.348 1.00 32.50 N ATOM 1372 CA VAL B 392 8.022 -3.536 -4.055 1.00 41.23 C ATOM 1373 C VAL B 392 8.102 -4.944 -4.633 1.00 1.11 C ATOM 1374 O VAL B 392 8.818 -5.187 -5.603 1.00 33.11 O ATOM 1375 CB VAL B 392 6.771 -2.833 -4.615 1.00 4.41 C ATOM 1376 CG1 VAL B 392 6.640 -3.087 -6.110 1.00 11.33 C ATOM 1377 CG2 VAL B 392 5.525 -3.296 -3.876 1.00 1.01 C ATOM 0 H VAL B 392 9.615 -2.937 -5.280 1.00 32.50 H new ATOM 0 HA VAL B 392 7.941 -3.596 -2.970 1.00 41.23 H new ATOM 0 HB VAL B 392 6.879 -1.759 -4.461 1.00 4.41 H new ATOM 0 HG11 VAL B 392 5.751 -2.583 -6.488 1.00 11.33 H new ATOM 0 HG12 VAL B 392 7.521 -2.702 -6.623 1.00 11.33 H new ATOM 0 HG13 VAL B 392 6.554 -4.158 -6.291 1.00 11.33 H new ATOM 0 HG21 VAL B 392 4.650 -2.789 -4.284 1.00 1.01 H new ATOM 0 HG22 VAL B 392 5.410 -4.373 -3.997 1.00 1.01 H new ATOM 0 HG23 VAL B 392 5.621 -3.058 -2.817 1.00 1.01 H new ATOM 1387 N GLN B 393 7.361 -5.868 -4.028 1.00 43.12 N ATOM 1388 CA GLN B 393 7.349 -7.254 -4.483 1.00 2.33 C ATOM 1389 C GLN B 393 6.116 -7.985 -3.963 1.00 21.32 C ATOM 1390 O GLN B 393 5.882 -8.048 -2.756 1.00 63.05 O ATOM 1391 CB GLN B 393 8.616 -7.975 -4.023 1.00 45.52 C ATOM 1392 CG GLN B 393 8.773 -8.027 -2.512 1.00 62.24 C ATOM 1393 CD GLN B 393 10.190 -7.730 -2.062 1.00 25.33 C ATOM 1394 OE1 GLN B 393 11.075 -8.582 -2.155 1.00 13.32 O ATOM 1395 NE2 GLN B 393 10.413 -6.517 -1.569 1.00 24.31 N ATOM 0 H GLN B 393 6.762 -5.682 -3.223 1.00 43.12 H new ATOM 0 HA GLN B 393 7.317 -7.253 -5.573 1.00 2.33 H new ATOM 0 HB2 GLN B 393 8.607 -8.992 -4.414 1.00 45.52 H new ATOM 0 HB3 GLN B 393 9.484 -7.476 -4.453 1.00 45.52 H new ATOM 0 HG2 GLN B 393 8.093 -7.309 -2.055 1.00 62.24 H new ATOM 0 HG3 GLN B 393 8.482 -9.014 -2.154 1.00 62.24 H new ATOM 0 HE21 GLN B 393 9.650 -5.842 -1.510 1.00 24.31 H new ATOM 0 HE22 GLN B 393 11.347 -6.260 -1.249 1.00 24.31 H new ATOM 1404 N ARG B 394 5.331 -8.539 -4.882 1.00 12.41 N ATOM 1405 CA ARG B 394 4.121 -9.265 -4.516 1.00 30.21 C ATOM 1406 C ARG B 394 4.447 -10.705 -4.130 1.00 43.23 C ATOM 1407 O ARG B 394 5.426 -11.279 -4.607 1.00 60.34 O ATOM 1408 CB ARG B 394 3.121 -9.250 -5.674 1.00 22.30 C ATOM 1409 CG ARG B 394 2.916 -7.873 -6.284 1.00 2.34 C ATOM 1410 CD ARG B 394 3.692 -7.717 -7.583 1.00 31.44 C ATOM 1411 NE ARG B 394 2.926 -8.184 -8.735 1.00 62.34 N ATOM 1412 CZ ARG B 394 3.208 -7.849 -9.990 1.00 10.43 C ATOM 1413 NH1 ARG B 394 4.232 -7.049 -10.251 1.00 24.32 N ATOM 1414 NH2 ARG B 394 2.465 -8.314 -10.985 1.00 73.11 N ATOM 0 H ARG B 394 5.512 -8.499 -5.885 1.00 12.41 H new ATOM 0 HA ARG B 394 3.676 -8.768 -3.654 1.00 30.21 H new ATOM 0 HB2 ARG B 394 3.466 -9.934 -6.450 1.00 22.30 H new ATOM 0 HB3 ARG B 394 2.162 -9.628 -5.320 1.00 22.30 H new ATOM 0 HG2 ARG B 394 1.854 -7.711 -6.472 1.00 2.34 H new ATOM 0 HG3 ARG B 394 3.234 -7.109 -5.575 1.00 2.34 H new ATOM 0 HD2 ARG B 394 3.957 -6.669 -7.724 1.00 31.44 H new ATOM 0 HD3 ARG B 394 4.626 -8.276 -7.517 1.00 31.44 H new ATOM 0 HE ARG B 394 2.131 -8.801 -8.568 1.00 62.34 H new ATOM 0 HH11 ARG B 394 4.805 -6.689 -9.488 1.00 24.32 H new ATOM 0 HH12 ARG B 394 4.447 -6.793 -11.215 1.00 24.32 H new ATOM 0 HH21 ARG B 394 1.676 -8.930 -10.788 1.00 73.11 H new ATOM 0 HH22 ARG B 394 2.683 -8.056 -11.948 1.00 73.11 H new ATOM 1428 N SER B 395 3.621 -11.282 -3.264 1.00 72.21 N ATOM 1429 CA SER B 395 3.824 -12.653 -2.811 1.00 23.24 C ATOM 1430 C SER B 395 2.665 -13.546 -3.244 1.00 13.43 C ATOM 1431 O SER B 395 1.796 -13.125 -4.006 1.00 53.23 O ATOM 1432 CB SER B 395 3.972 -12.693 -1.288 1.00 54.33 C ATOM 1433 OG SER B 395 4.829 -13.747 -0.886 1.00 61.35 O ATOM 0 H SER B 395 2.805 -10.821 -2.862 1.00 72.21 H new ATOM 0 HA SER B 395 4.740 -13.028 -3.268 1.00 23.24 H new ATOM 0 HB2 SER B 395 4.369 -11.742 -0.933 1.00 54.33 H new ATOM 0 HB3 SER B 395 2.992 -12.821 -0.828 1.00 54.33 H new ATOM 0 HG SER B 395 4.908 -13.750 0.091 1.00 61.35 H new ATOM 1439 N GLN B 396 2.661 -14.780 -2.752 1.00 11.24 N ATOM 1440 CA GLN B 396 1.610 -15.733 -3.088 1.00 45.24 C ATOM 1441 C GLN B 396 0.230 -15.129 -2.847 1.00 22.21 C ATOM 1442 O GLN B 396 -0.730 -15.451 -3.545 1.00 45.25 O ATOM 1443 CB GLN B 396 1.771 -17.013 -2.267 1.00 64.11 C ATOM 1444 CG GLN B 396 1.497 -16.824 -0.784 1.00 51.33 C ATOM 1445 CD GLN B 396 2.111 -17.917 0.067 1.00 53.31 C ATOM 1446 OE1 GLN B 396 1.687 -19.072 0.014 1.00 64.35 O ATOM 1447 NE2 GLN B 396 3.114 -17.558 0.859 1.00 31.45 N ATOM 0 H GLN B 396 3.374 -15.144 -2.119 1.00 11.24 H new ATOM 0 HA GLN B 396 1.700 -15.976 -4.147 1.00 45.24 H new ATOM 0 HB2 GLN B 396 1.095 -17.773 -2.659 1.00 64.11 H new ATOM 0 HB3 GLN B 396 2.785 -17.392 -2.395 1.00 64.11 H new ATOM 0 HG2 GLN B 396 1.889 -15.858 -0.466 1.00 51.33 H new ATOM 0 HG3 GLN B 396 0.420 -16.801 -0.618 1.00 51.33 H new ATOM 0 HE21 GLN B 396 3.433 -16.589 0.871 1.00 31.45 H new ATOM 0 HE22 GLN B 396 3.566 -18.251 1.456 1.00 31.45 H new ATOM 1456 N ASN B 397 0.140 -14.253 -1.851 1.00 70.21 N ATOM 1457 CA ASN B 397 -1.123 -13.605 -1.516 1.00 61.31 C ATOM 1458 C ASN B 397 -1.808 -13.067 -2.768 1.00 43.44 C ATOM 1459 O ASN B 397 -1.197 -12.930 -3.829 1.00 61.01 O ATOM 1460 CB ASN B 397 -0.889 -12.468 -0.521 1.00 1.43 C ATOM 1461 CG ASN B 397 -1.097 -12.905 0.917 1.00 31.22 C ATOM 1462 OD1 ASN B 397 -0.941 -14.080 1.249 1.00 51.43 O ATOM 1463 ND2 ASN B 397 -1.453 -11.958 1.777 1.00 21.22 N ATOM 0 H ASN B 397 0.926 -13.976 -1.263 1.00 70.21 H new ATOM 0 HA ASN B 397 -1.774 -14.350 -1.059 1.00 61.31 H new ATOM 0 HB2 ASN B 397 0.126 -12.089 -0.639 1.00 1.43 H new ATOM 0 HB3 ASN B 397 -1.566 -11.644 -0.749 1.00 1.43 H new ATOM 0 HD21 ASN B 397 -1.609 -12.192 2.758 1.00 21.22 H new ATOM 0 HD22 ASN B 397 -1.571 -10.997 1.457 1.00 21.22 H new ATOM 1470 N PRO B 398 -3.105 -12.753 -2.646 1.00 12.33 N ATOM 1471 CA PRO B 398 -3.901 -12.223 -3.756 1.00 72.55 C ATOM 1472 C PRO B 398 -3.493 -10.804 -4.137 1.00 13.14 C ATOM 1473 O PRO B 398 -3.801 -10.330 -5.231 1.00 54.24 O ATOM 1474 CB PRO B 398 -5.330 -12.240 -3.210 1.00 53.14 C ATOM 1475 CG PRO B 398 -5.171 -12.159 -1.731 1.00 71.25 C ATOM 1476 CD PRO B 398 -3.897 -12.891 -1.411 1.00 2.21 C ATOM 0 HA PRO B 398 -3.771 -12.810 -4.665 1.00 72.55 H new ATOM 0 HB2 PRO B 398 -5.910 -11.400 -3.592 1.00 53.14 H new ATOM 0 HB3 PRO B 398 -5.855 -13.149 -3.503 1.00 53.14 H new ATOM 0 HG2 PRO B 398 -5.119 -11.122 -1.400 1.00 71.25 H new ATOM 0 HG3 PRO B 398 -6.021 -12.613 -1.222 1.00 71.25 H new ATOM 0 HD2 PRO B 398 -3.386 -12.452 -0.554 1.00 2.21 H new ATOM 0 HD3 PRO B 398 -4.085 -13.937 -1.169 1.00 2.21 H new ATOM 1484 N LEU B 399 -2.799 -10.129 -3.226 1.00 52.24 N ATOM 1485 CA LEU B 399 -2.348 -8.763 -3.467 1.00 65.31 C ATOM 1486 C LEU B 399 -1.547 -8.238 -2.280 1.00 4.45 C ATOM 1487 O LEU B 399 -1.913 -7.238 -1.662 1.00 72.11 O ATOM 1488 CB LEU B 399 -3.545 -7.848 -3.732 1.00 74.53 C ATOM 1489 CG LEU B 399 -3.348 -6.780 -4.809 1.00 22.40 C ATOM 1490 CD1 LEU B 399 -2.106 -5.953 -4.519 1.00 63.50 C ATOM 1491 CD2 LEU B 399 -3.255 -7.422 -6.186 1.00 34.12 C ATOM 0 H LEU B 399 -2.537 -10.505 -2.315 1.00 52.24 H new ATOM 0 HA LEU B 399 -1.702 -8.770 -4.345 1.00 65.31 H new ATOM 0 HB2 LEU B 399 -4.395 -8.468 -4.015 1.00 74.53 H new ATOM 0 HB3 LEU B 399 -3.810 -7.350 -2.799 1.00 74.53 H new ATOM 0 HG LEU B 399 -4.212 -6.116 -4.798 1.00 22.40 H new ATOM 0 HD11 LEU B 399 -1.982 -5.198 -5.296 1.00 63.50 H new ATOM 0 HD12 LEU B 399 -2.213 -5.463 -3.551 1.00 63.50 H new ATOM 0 HD13 LEU B 399 -1.232 -6.603 -4.502 1.00 63.50 H new ATOM 0 HD21 LEU B 399 -3.115 -6.647 -6.940 1.00 34.12 H new ATOM 0 HD22 LEU B 399 -2.409 -8.109 -6.211 1.00 34.12 H new ATOM 0 HD23 LEU B 399 -4.174 -7.970 -6.395 1.00 34.12 H new ATOM 1503 N LYS B 400 -0.448 -8.917 -1.968 1.00 21.11 N ATOM 1504 CA LYS B 400 0.409 -8.518 -0.858 1.00 22.34 C ATOM 1505 C LYS B 400 1.701 -7.887 -1.366 1.00 53.33 C ATOM 1506 O LYS B 400 2.683 -8.583 -1.625 1.00 15.11 O ATOM 1507 CB LYS B 400 0.733 -9.727 0.024 1.00 2.43 C ATOM 1508 CG LYS B 400 1.653 -9.402 1.187 1.00 23.43 C ATOM 1509 CD LYS B 400 2.418 -10.629 1.653 1.00 23.23 C ATOM 1510 CE LYS B 400 1.515 -11.602 2.396 1.00 14.51 C ATOM 1511 NZ LYS B 400 2.204 -12.218 3.562 1.00 31.54 N ATOM 0 H LYS B 400 -0.130 -9.747 -2.469 1.00 21.11 H new ATOM 0 HA LYS B 400 -0.129 -7.777 -0.266 1.00 22.34 H new ATOM 0 HB2 LYS B 400 -0.197 -10.142 0.412 1.00 2.43 H new ATOM 0 HB3 LYS B 400 1.196 -10.500 -0.589 1.00 2.43 H new ATOM 0 HG2 LYS B 400 2.357 -8.625 0.889 1.00 23.43 H new ATOM 0 HG3 LYS B 400 1.067 -9.001 2.014 1.00 23.43 H new ATOM 0 HD2 LYS B 400 2.864 -11.129 0.793 1.00 23.23 H new ATOM 0 HD3 LYS B 400 3.237 -10.323 2.303 1.00 23.23 H new ATOM 0 HE2 LYS B 400 0.621 -11.080 2.737 1.00 14.51 H new ATOM 0 HE3 LYS B 400 1.186 -12.385 1.713 1.00 14.51 H new ATOM 0 HZ1 LYS B 400 1.561 -12.887 4.031 1.00 31.54 H new ATOM 0 HZ2 LYS B 400 3.053 -12.724 3.236 1.00 31.54 H new ATOM 0 HZ3 LYS B 400 2.481 -11.474 4.234 1.00 31.54 H new ATOM 1525 N ILE B 401 1.693 -6.565 -1.506 1.00 55.14 N ATOM 1526 CA ILE B 401 2.865 -5.841 -1.983 1.00 14.24 C ATOM 1527 C ILE B 401 3.842 -5.568 -0.844 1.00 14.34 C ATOM 1528 O ILE B 401 3.562 -4.767 0.049 1.00 20.42 O ATOM 1529 CB ILE B 401 2.472 -4.505 -2.639 1.00 5.52 C ATOM 1530 CG1 ILE B 401 1.347 -3.833 -1.848 1.00 1.13 C ATOM 1531 CG2 ILE B 401 2.051 -4.727 -4.083 1.00 72.42 C ATOM 1532 CD1 ILE B 401 1.491 -2.331 -1.748 1.00 45.02 C ATOM 0 H ILE B 401 0.888 -5.974 -1.296 1.00 55.14 H new ATOM 0 HA ILE B 401 3.347 -6.474 -2.728 1.00 14.24 H new ATOM 0 HB ILE B 401 3.340 -3.846 -2.631 1.00 5.52 H new ATOM 0 HG12 ILE B 401 0.393 -4.068 -2.319 1.00 1.13 H new ATOM 0 HG13 ILE B 401 1.319 -4.255 -0.843 1.00 1.13 H new ATOM 0 HG21 ILE B 401 1.776 -3.773 -4.533 1.00 72.42 H new ATOM 0 HG22 ILE B 401 2.879 -5.166 -4.640 1.00 72.42 H new ATOM 0 HG23 ILE B 401 1.196 -5.402 -4.113 1.00 72.42 H new ATOM 0 HD11 ILE B 401 0.659 -1.923 -1.174 1.00 45.02 H new ATOM 0 HD12 ILE B 401 2.429 -2.088 -1.249 1.00 45.02 H new ATOM 0 HD13 ILE B 401 1.489 -1.898 -2.748 1.00 45.02 H new ATOM 1544 N ARG B 402 4.989 -6.236 -0.882 1.00 63.55 N ATOM 1545 CA ARG B 402 6.009 -6.065 0.146 1.00 42.34 C ATOM 1546 C ARG B 402 6.951 -4.917 -0.208 1.00 60.43 C ATOM 1547 O ARG B 402 7.773 -5.033 -1.119 1.00 1.35 O ATOM 1548 CB ARG B 402 6.807 -7.358 0.323 1.00 2.21 C ATOM 1549 CG ARG B 402 6.439 -8.134 1.577 1.00 60.12 C ATOM 1550 CD ARG B 402 7.531 -8.041 2.631 1.00 44.25 C ATOM 1551 NE ARG B 402 8.626 -8.971 2.367 1.00 23.00 N ATOM 1552 CZ ARG B 402 8.513 -10.289 2.480 1.00 24.15 C ATOM 1553 NH1 ARG B 402 7.361 -10.831 2.850 1.00 53.50 N ATOM 1554 NH2 ARG B 402 9.555 -11.070 2.224 1.00 32.44 N ATOM 0 H ARG B 402 5.236 -6.902 -1.614 1.00 63.55 H new ATOM 0 HA ARG B 402 5.508 -5.825 1.083 1.00 42.34 H new ATOM 0 HB2 ARG B 402 6.649 -7.995 -0.548 1.00 2.21 H new ATOM 0 HB3 ARG B 402 7.870 -7.118 0.353 1.00 2.21 H new ATOM 0 HG2 ARG B 402 5.505 -7.747 1.984 1.00 60.12 H new ATOM 0 HG3 ARG B 402 6.267 -9.180 1.322 1.00 60.12 H new ATOM 0 HD2 ARG B 402 7.919 -7.023 2.662 1.00 44.25 H new ATOM 0 HD3 ARG B 402 7.106 -8.250 3.613 1.00 44.25 H new ATOM 0 HE ARG B 402 9.526 -8.587 2.080 1.00 23.00 H new ATOM 0 HH11 ARG B 402 6.558 -10.235 3.049 1.00 53.50 H new ATOM 0 HH12 ARG B 402 7.278 -11.844 2.936 1.00 53.50 H new ATOM 0 HH21 ARG B 402 10.444 -10.658 1.940 1.00 32.44 H new ATOM 0 HH22 ARG B 402 9.467 -12.082 2.311 1.00 32.44 H new ATOM 1568 N LEU B 403 6.825 -3.812 0.516 1.00 42.44 N ATOM 1569 CA LEU B 403 7.664 -2.642 0.279 1.00 31.44 C ATOM 1570 C LEU B 403 8.893 -2.661 1.183 1.00 72.40 C ATOM 1571 O LEU B 403 8.816 -3.060 2.345 1.00 31.44 O ATOM 1572 CB LEU B 403 6.865 -1.359 0.513 1.00 34.44 C ATOM 1573 CG LEU B 403 5.866 -0.982 -0.581 1.00 13.14 C ATOM 1574 CD1 LEU B 403 6.540 -0.987 -1.944 1.00 10.42 C ATOM 1575 CD2 LEU B 403 4.676 -1.930 -0.568 1.00 62.35 C ATOM 0 H LEU B 403 6.150 -3.701 1.273 1.00 42.44 H new ATOM 0 HA LEU B 403 7.998 -2.670 -0.758 1.00 31.44 H new ATOM 0 HB2 LEU B 403 6.323 -1.459 1.453 1.00 34.44 H new ATOM 0 HB3 LEU B 403 7.567 -0.535 0.636 1.00 34.44 H new ATOM 0 HG LEU B 403 5.503 0.026 -0.382 1.00 13.14 H new ATOM 0 HD11 LEU B 403 5.813 -0.716 -2.710 1.00 10.42 H new ATOM 0 HD12 LEU B 403 7.358 -0.266 -1.948 1.00 10.42 H new ATOM 0 HD13 LEU B 403 6.933 -1.982 -2.152 1.00 10.42 H new ATOM 0 HD21 LEU B 403 3.976 -1.646 -1.354 1.00 62.35 H new ATOM 0 HD22 LEU B 403 5.021 -2.949 -0.741 1.00 62.35 H new ATOM 0 HD23 LEU B 403 4.177 -1.875 0.400 1.00 62.35 H new ATOM 1587 N THR B 404 10.026 -2.225 0.642 1.00 51.10 N ATOM 1588 CA THR B 404 11.271 -2.191 1.399 1.00 33.13 C ATOM 1589 C THR B 404 12.167 -1.049 0.933 1.00 34.44 C ATOM 1590 O THR B 404 12.252 -0.763 -0.261 1.00 4.44 O ATOM 1591 CB THR B 404 12.042 -3.518 1.271 1.00 24.44 C ATOM 1592 OG1 THR B 404 12.467 -3.710 -0.082 1.00 23.52 O ATOM 1593 CG2 THR B 404 11.178 -4.691 1.708 1.00 10.13 C ATOM 0 H THR B 404 10.107 -1.890 -0.318 1.00 51.10 H new ATOM 0 HA THR B 404 11.002 -2.035 2.444 1.00 33.13 H new ATOM 0 HB THR B 404 12.915 -3.469 1.922 1.00 24.44 H new ATOM 0 HG1 THR B 404 12.958 -4.555 -0.154 1.00 23.52 H new ATOM 0 HG21 THR B 404 11.744 -5.617 1.609 1.00 10.13 H new ATOM 0 HG22 THR B 404 10.882 -4.557 2.748 1.00 10.13 H new ATOM 0 HG23 THR B 404 10.288 -4.741 1.081 1.00 10.13 H new ATOM 1601 N ARG B 405 12.833 -0.400 1.883 1.00 33.35 N ATOM 1602 CA ARG B 405 13.723 0.711 1.570 1.00 53.55 C ATOM 1603 C ARG B 405 14.701 0.329 0.463 1.00 42.13 C ATOM 1604 O ARG B 405 15.756 0.946 0.314 1.00 34.31 O ATOM 1605 CB ARG B 405 14.492 1.144 2.819 1.00 51.24 C ATOM 1606 CG ARG B 405 13.668 1.983 3.781 1.00 53.52 C ATOM 1607 CD ARG B 405 14.380 2.167 5.112 1.00 61.14 C ATOM 1608 NE ARG B 405 14.583 3.576 5.435 1.00 54.01 N ATOM 1609 CZ ARG B 405 15.509 4.011 6.281 1.00 11.41 C ATOM 1610 NH1 ARG B 405 16.315 3.150 6.886 1.00 24.31 N ATOM 1611 NH2 ARG B 405 15.631 5.309 6.524 1.00 2.34 N ATOM 0 H ARG B 405 12.773 -0.625 2.876 1.00 33.35 H new ATOM 0 HA ARG B 405 13.114 1.545 1.220 1.00 53.55 H new ATOM 0 HB2 ARG B 405 14.851 0.257 3.340 1.00 51.24 H new ATOM 0 HB3 ARG B 405 15.371 1.713 2.515 1.00 51.24 H new ATOM 0 HG2 ARG B 405 13.469 2.958 3.336 1.00 53.52 H new ATOM 0 HG3 ARG B 405 12.703 1.505 3.947 1.00 53.52 H new ATOM 0 HD2 ARG B 405 13.797 1.694 5.903 1.00 61.14 H new ATOM 0 HD3 ARG B 405 15.344 1.660 5.080 1.00 61.14 H new ATOM 0 HE ARG B 405 13.980 4.265 4.986 1.00 54.01 H new ATOM 0 HH11 ARG B 405 16.225 2.151 6.702 1.00 24.31 H new ATOM 0 HH12 ARG B 405 17.026 3.487 7.536 1.00 24.31 H new ATOM 0 HH21 ARG B 405 15.013 5.975 6.061 1.00 2.34 H new ATOM 0 HH22 ARG B 405 16.343 5.641 7.174 1.00 2.34 H new TER 1625 ARG B 405