USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 625 THR OG1 : rot -140:sc= 0.0349 USER MOD Set 1.2: A 629 THR OG1 : rot 94:sc= 1.24 USER MOD Set 2.1: A 628 HIS : no HD1:sc= -0.757 K(o=-1.6,f=-2.2) USER MOD Set 2.2: A 636 GLN : amide:sc= -0.863 X(o=-1.6,f=-1.5) USER MOD Set 3.1: A 564 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.2) USER MOD Set 3.2: A 566 SER OG : rot 180:sc= 0 USER MOD Single : A 563 ASN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 SER OG : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 573 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.49) USER MOD Single : A 581 SER OG : rot 73:sc= 0.421 USER MOD Single : A 594 HIS : no HD1:sc= -0.0053 X(o=-0.0053,f=0) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0.0578 USER MOD Single : A 604 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0767) USER MOD Single : A 605 MET CE :methyl -147:sc= -0.505 (180deg=-2.94!) USER MOD Single : A 610 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 613 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 615 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00387) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 631 SER OG : rot 67:sc= 1.14 USER MOD Single : A 635 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 644 GLN : amide:sc= -0.0014 X(o=-0.0014,f=-0.048) USER MOD Single : A 654 HIS : no HE2:sc= -11.5! C(o=-11!,f=-13!) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.1) USER MOD Single : A 660 GLN : amide:sc= -0.0643 X(o=-0.064,f=0) USER MOD Single : A 661 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 663 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 664 GLN : amide:sc= -0.0954 X(o=-0.095,f=-0.35) USER MOD Single : A 665 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.2) USER MOD Single : A 670 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Single : A 678 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 561 43.316 2.992 0.257 1.00 51.05 N ATOM 2 CA PRO A 561 42.289 2.891 1.299 1.00 34.43 C ATOM 3 C PRO A 561 41.021 2.212 0.797 1.00 4.43 C ATOM 4 O PRO A 561 40.106 2.871 0.301 1.00 10.14 O ATOM 5 CB PRO A 561 42.008 4.351 1.663 1.00 20.21 C ATOM 6 CG PRO A 561 42.378 5.122 0.443 1.00 53.34 C ATOM 7 CD PRO A 561 43.525 4.381 -0.184 1.00 14.04 C ATOM 0 HA PRO A 561 42.621 2.285 2.142 1.00 34.43 H new ATOM 0 HB2 PRO A 561 40.960 4.500 1.923 1.00 20.21 H new ATOM 0 HB3 PRO A 561 42.598 4.665 2.524 1.00 20.21 H new ATOM 0 HG2 PRO A 561 41.536 5.191 -0.245 1.00 53.34 H new ATOM 0 HG3 PRO A 561 42.665 6.142 0.698 1.00 53.34 H new ATOM 0 HD2 PRO A 561 43.511 4.464 -1.271 1.00 14.04 H new ATOM 0 HD3 PRO A 561 44.486 4.769 0.153 1.00 14.04 H new ATOM 12 N VAL A 562 40.969 0.890 0.930 1.00 3.51 N ATOM 13 CA VAL A 562 39.809 0.122 0.491 1.00 71.54 C ATOM 14 C VAL A 562 39.370 -0.870 1.563 1.00 50.31 C ATOM 15 O VAL A 562 39.955 -1.942 1.708 1.00 32.23 O ATOM 16 CB VAL A 562 40.104 -0.644 -0.812 1.00 71.01 C ATOM 17 CG1 VAL A 562 38.838 -1.294 -1.348 1.00 41.24 C ATOM 18 CG2 VAL A 562 40.715 0.286 -1.850 1.00 74.33 C ATOM 0 H VAL A 562 41.716 0.329 1.338 1.00 3.51 H new ATOM 0 HA VAL A 562 39.006 0.836 0.310 1.00 71.54 H new ATOM 0 HB VAL A 562 40.825 -1.432 -0.594 1.00 71.01 H new ATOM 0 HG11 VAL A 562 39.066 -1.831 -2.269 1.00 41.24 H new ATOM 0 HG12 VAL A 562 38.447 -1.993 -0.609 1.00 41.24 H new ATOM 0 HG13 VAL A 562 38.092 -0.525 -1.551 1.00 41.24 H new ATOM 0 HG21 VAL A 562 40.917 -0.272 -2.764 1.00 74.33 H new ATOM 0 HG22 VAL A 562 40.020 1.097 -2.066 1.00 74.33 H new ATOM 0 HG23 VAL A 562 41.647 0.700 -1.464 1.00 74.33 H new ATOM 28 N ASN A 563 38.334 -0.504 2.311 1.00 12.40 N ATOM 29 CA ASN A 563 37.815 -1.362 3.370 1.00 33.14 C ATOM 30 C ASN A 563 36.291 -1.333 3.395 1.00 45.44 C ATOM 31 O ASN A 563 35.664 -0.526 2.709 1.00 2.05 O ATOM 32 CB ASN A 563 38.367 -0.922 4.728 1.00 55.51 C ATOM 33 CG ASN A 563 38.356 0.586 4.895 1.00 71.43 C ATOM 34 OD1 ASN A 563 39.404 1.232 4.870 1.00 74.42 O ATOM 35 ND2 ASN A 563 37.168 1.154 5.067 1.00 24.21 N ATOM 0 H ASN A 563 37.838 0.381 2.203 1.00 12.40 H new ATOM 0 HA ASN A 563 38.138 -2.383 3.167 1.00 33.14 H new ATOM 0 HB2 ASN A 563 37.776 -1.377 5.522 1.00 55.51 H new ATOM 0 HB3 ASN A 563 39.387 -1.290 4.839 1.00 55.51 H new ATOM 0 HD21 ASN A 563 37.098 2.165 5.185 1.00 24.21 H new ATOM 0 HD22 ASN A 563 36.325 0.580 5.081 1.00 24.21 H new ATOM 41 N GLN A 564 35.701 -2.219 4.191 1.00 51.53 N ATOM 42 CA GLN A 564 34.248 -2.295 4.306 1.00 35.54 C ATOM 43 C GLN A 564 33.810 -2.182 5.762 1.00 22.35 C ATOM 44 O GLN A 564 34.638 -2.028 6.660 1.00 53.44 O ATOM 45 CB GLN A 564 33.737 -3.605 3.706 1.00 22.14 C ATOM 46 CG GLN A 564 34.400 -4.842 4.290 1.00 61.15 C ATOM 47 CD GLN A 564 33.826 -5.230 5.639 1.00 4.32 C ATOM 48 OE1 GLN A 564 32.615 -5.401 5.785 1.00 2.00 O ATOM 49 NE2 GLN A 564 34.694 -5.371 6.634 1.00 24.31 N ATOM 0 H GLN A 564 36.206 -2.894 4.766 1.00 51.53 H new ATOM 0 HA GLN A 564 33.820 -1.459 3.753 1.00 35.54 H new ATOM 0 HB2 GLN A 564 32.661 -3.671 3.864 1.00 22.14 H new ATOM 0 HB3 GLN A 564 33.901 -3.590 2.629 1.00 22.14 H new ATOM 0 HG2 GLN A 564 34.282 -5.674 3.596 1.00 61.15 H new ATOM 0 HG3 GLN A 564 35.470 -4.662 4.393 1.00 61.15 H new ATOM 0 HE21 GLN A 564 35.689 -5.220 6.468 1.00 24.31 H new ATOM 0 HE22 GLN A 564 34.366 -5.631 7.564 1.00 24.31 H new ATOM 56 N LYS A 565 32.504 -2.262 5.989 1.00 61.23 N ATOM 57 CA LYS A 565 31.954 -2.171 7.336 1.00 65.02 C ATOM 58 C LYS A 565 30.806 -3.158 7.524 1.00 13.20 C ATOM 59 O LYS A 565 29.985 -3.348 6.625 1.00 74.30 O ATOM 60 CB LYS A 565 31.468 -0.747 7.616 1.00 31.44 C ATOM 61 CG LYS A 565 32.583 0.213 7.994 1.00 12.01 C ATOM 62 CD LYS A 565 32.093 1.651 8.024 1.00 72.43 C ATOM 63 CE LYS A 565 33.250 2.630 8.158 1.00 52.41 C ATOM 64 NZ LYS A 565 32.841 4.021 7.814 1.00 60.13 N ATOM 0 H LYS A 565 31.806 -2.390 5.257 1.00 61.23 H new ATOM 0 HA LYS A 565 32.745 -2.424 8.042 1.00 65.02 H new ATOM 0 HB2 LYS A 565 30.956 -0.366 6.732 1.00 31.44 H new ATOM 0 HB3 LYS A 565 30.735 -0.774 8.422 1.00 31.44 H new ATOM 0 HG2 LYS A 565 32.981 -0.057 8.972 1.00 12.01 H new ATOM 0 HG3 LYS A 565 33.401 0.121 7.280 1.00 12.01 H new ATOM 0 HD2 LYS A 565 31.536 1.866 7.112 1.00 72.43 H new ATOM 0 HD3 LYS A 565 31.403 1.784 8.857 1.00 72.43 H new ATOM 0 HE2 LYS A 565 33.631 2.605 9.179 1.00 52.41 H new ATOM 0 HE3 LYS A 565 34.066 2.319 7.506 1.00 52.41 H new ATOM 0 HZ1 LYS A 565 33.656 4.658 7.917 1.00 60.13 H new ATOM 0 HZ2 LYS A 565 32.501 4.050 6.831 1.00 60.13 H new ATOM 0 HZ3 LYS A 565 32.079 4.327 8.453 1.00 60.13 H new ATOM 74 N SER A 566 30.752 -3.781 8.696 1.00 1.10 N ATOM 75 CA SER A 566 29.705 -4.750 9.000 1.00 74.21 C ATOM 76 C SER A 566 28.572 -4.096 9.785 1.00 41.22 C ATOM 77 O SER A 566 28.802 -3.218 10.616 1.00 51.05 O ATOM 78 CB SER A 566 30.281 -5.923 9.796 1.00 15.44 C ATOM 79 OG SER A 566 30.963 -6.829 8.946 1.00 34.13 O ATOM 0 H SER A 566 31.421 -3.632 9.451 1.00 1.10 H new ATOM 0 HA SER A 566 29.304 -5.122 8.057 1.00 74.21 H new ATOM 0 HB2 SER A 566 30.965 -5.549 10.558 1.00 15.44 H new ATOM 0 HB3 SER A 566 29.477 -6.443 10.317 1.00 15.44 H new ATOM 0 HG SER A 566 31.323 -7.569 9.478 1.00 34.13 H new ATOM 84 N LYS A 567 27.346 -4.531 9.514 1.00 43.34 N ATOM 85 CA LYS A 567 26.174 -3.991 10.194 1.00 13.24 C ATOM 86 C LYS A 567 25.289 -5.113 10.726 1.00 64.01 C ATOM 87 O LYS A 567 25.575 -6.292 10.522 1.00 20.53 O ATOM 88 CB LYS A 567 25.371 -3.101 9.242 1.00 31.45 C ATOM 89 CG LYS A 567 26.189 -1.982 8.622 1.00 14.24 C ATOM 90 CD LYS A 567 25.493 -1.390 7.407 1.00 21.20 C ATOM 91 CE LYS A 567 26.238 -0.176 6.874 1.00 71.23 C ATOM 92 NZ LYS A 567 25.322 0.784 6.199 1.00 31.04 N ATOM 0 H LYS A 567 27.138 -5.256 8.828 1.00 43.34 H new ATOM 0 HA LYS A 567 26.518 -3.392 11.037 1.00 13.24 H new ATOM 0 HB2 LYS A 567 24.953 -3.718 8.447 1.00 31.45 H new ATOM 0 HB3 LYS A 567 24.531 -2.668 9.785 1.00 31.45 H new ATOM 0 HG2 LYS A 567 26.358 -1.200 9.363 1.00 14.24 H new ATOM 0 HG3 LYS A 567 27.168 -2.363 8.332 1.00 14.24 H new ATOM 0 HD2 LYS A 567 25.419 -2.145 6.625 1.00 21.20 H new ATOM 0 HD3 LYS A 567 24.475 -1.106 7.672 1.00 21.20 H new ATOM 0 HE2 LYS A 567 26.749 0.326 7.695 1.00 71.23 H new ATOM 0 HE3 LYS A 567 27.006 -0.500 6.172 1.00 71.23 H new ATOM 0 HZ1 LYS A 567 25.868 1.597 5.850 1.00 31.04 H new ATOM 0 HZ2 LYS A 567 24.853 0.313 5.399 1.00 31.04 H new ATOM 0 HZ3 LYS A 567 24.604 1.114 6.876 1.00 31.04 H new ATOM 102 N ARG A 568 24.212 -4.738 11.408 1.00 1.33 N ATOM 103 CA ARG A 568 23.285 -5.713 11.968 1.00 41.54 C ATOM 104 C ARG A 568 21.840 -5.252 11.795 1.00 40.01 C ATOM 105 O ARG A 568 21.580 -4.195 11.221 1.00 1.23 O ATOM 106 CB ARG A 568 23.584 -5.940 13.452 1.00 15.34 C ATOM 107 CG ARG A 568 23.963 -4.670 14.197 1.00 64.13 C ATOM 108 CD ARG A 568 22.802 -3.689 14.252 1.00 23.14 C ATOM 109 NE ARG A 568 22.909 -2.777 15.386 1.00 63.33 N ATOM 110 CZ ARG A 568 22.741 -3.152 16.650 1.00 2.44 C ATOM 111 NH1 ARG A 568 22.458 -4.416 16.938 1.00 12.22 N ATOM 112 NH2 ARG A 568 22.854 -2.263 17.628 1.00 31.21 N ATOM 0 H ARG A 568 23.960 -3.766 11.586 1.00 1.33 H new ATOM 0 HA ARG A 568 23.416 -6.652 11.430 1.00 41.54 H new ATOM 0 HB2 ARG A 568 22.708 -6.383 13.927 1.00 15.34 H new ATOM 0 HB3 ARG A 568 24.396 -6.662 13.544 1.00 15.34 H new ATOM 0 HG2 ARG A 568 24.277 -4.921 15.210 1.00 64.13 H new ATOM 0 HG3 ARG A 568 24.815 -4.200 13.707 1.00 64.13 H new ATOM 0 HD2 ARG A 568 22.769 -3.114 13.327 1.00 23.14 H new ATOM 0 HD3 ARG A 568 21.864 -4.241 14.318 1.00 23.14 H new ATOM 0 HE ARG A 568 23.125 -1.798 15.198 1.00 63.33 H new ATOM 0 HH11 ARG A 568 22.369 -5.102 16.189 1.00 12.22 H new ATOM 0 HH12 ARG A 568 22.330 -4.701 17.909 1.00 12.22 H new ATOM 0 HH21 ARG A 568 23.070 -1.290 17.410 1.00 31.21 H new ATOM 0 HH22 ARG A 568 22.725 -2.552 18.598 1.00 31.21 H new ATOM 123 N SER A 569 20.904 -6.053 12.296 1.00 54.41 N ATOM 124 CA SER A 569 19.486 -5.730 12.192 1.00 54.05 C ATOM 125 C SER A 569 19.042 -4.856 13.362 1.00 42.20 C ATOM 126 O SER A 569 19.513 -5.020 14.486 1.00 62.11 O ATOM 127 CB SER A 569 18.651 -7.010 12.152 1.00 30.13 C ATOM 128 OG SER A 569 18.773 -7.659 10.897 1.00 44.13 O ATOM 0 H SER A 569 21.103 -6.930 12.778 1.00 54.41 H new ATOM 0 HA SER A 569 19.331 -5.176 11.266 1.00 54.05 H new ATOM 0 HB2 SER A 569 18.973 -7.683 12.946 1.00 30.13 H new ATOM 0 HB3 SER A 569 17.604 -6.771 12.342 1.00 30.13 H new ATOM 0 HG SER A 569 18.231 -8.476 10.897 1.00 44.13 H new ATOM 133 N GLU A 570 18.131 -3.927 13.086 1.00 33.32 N ATOM 134 CA GLU A 570 17.624 -3.027 14.115 1.00 4.13 C ATOM 135 C GLU A 570 16.114 -3.181 14.275 1.00 24.10 C ATOM 136 O GLU A 570 15.481 -3.973 13.576 1.00 60.50 O ATOM 137 CB GLU A 570 17.965 -1.577 13.768 1.00 41.50 C ATOM 138 CG GLU A 570 19.302 -1.117 14.324 1.00 32.34 C ATOM 139 CD GLU A 570 19.231 -0.762 15.796 1.00 24.41 C ATOM 140 OE1 GLU A 570 19.439 -1.664 16.635 1.00 70.42 O ATOM 141 OE2 GLU A 570 18.968 0.417 16.111 1.00 12.44 O ATOM 0 H GLU A 570 17.730 -3.779 12.160 1.00 33.32 H new ATOM 0 HA GLU A 570 18.102 -3.289 15.059 1.00 4.13 H new ATOM 0 HB2 GLU A 570 17.973 -1.464 12.684 1.00 41.50 H new ATOM 0 HB3 GLU A 570 17.179 -0.926 14.150 1.00 41.50 H new ATOM 0 HG2 GLU A 570 20.042 -1.905 14.179 1.00 32.34 H new ATOM 0 HG3 GLU A 570 19.646 -0.249 13.761 1.00 32.34 H new ATOM 146 N LEU A 571 15.543 -2.419 15.202 1.00 54.21 N ATOM 147 CA LEU A 571 14.107 -2.470 15.456 1.00 71.12 C ATOM 148 C LEU A 571 13.616 -1.162 16.068 1.00 63.22 C ATOM 149 O LEU A 571 14.074 -0.754 17.136 1.00 11.35 O ATOM 150 CB LEU A 571 13.775 -3.638 16.386 1.00 24.23 C ATOM 151 CG LEU A 571 12.415 -4.302 16.171 1.00 11.31 C ATOM 152 CD1 LEU A 571 11.291 -3.314 16.440 1.00 43.25 C ATOM 153 CD2 LEU A 571 12.310 -4.859 14.759 1.00 12.03 C ATOM 0 H LEU A 571 16.052 -1.759 15.790 1.00 54.21 H new ATOM 0 HA LEU A 571 13.599 -2.617 14.503 1.00 71.12 H new ATOM 0 HB2 LEU A 571 14.549 -4.397 16.274 1.00 24.23 H new ATOM 0 HB3 LEU A 571 13.824 -3.282 17.415 1.00 24.23 H new ATOM 0 HG LEU A 571 12.321 -5.129 16.874 1.00 11.31 H new ATOM 0 HD11 LEU A 571 10.330 -3.804 16.282 1.00 43.25 H new ATOM 0 HD12 LEU A 571 11.354 -2.963 17.470 1.00 43.25 H new ATOM 0 HD13 LEU A 571 11.382 -2.466 15.761 1.00 43.25 H new ATOM 0 HD21 LEU A 571 11.335 -5.328 14.624 1.00 12.03 H new ATOM 0 HD22 LEU A 571 12.426 -4.049 14.039 1.00 12.03 H new ATOM 0 HD23 LEU A 571 13.094 -5.600 14.601 1.00 12.03 H new ATOM 164 N SER A 572 12.679 -0.511 15.386 1.00 51.24 N ATOM 165 CA SER A 572 12.126 0.752 15.862 1.00 22.42 C ATOM 166 C SER A 572 10.686 0.928 15.389 1.00 34.44 C ATOM 167 O SER A 572 10.291 0.384 14.358 1.00 23.04 O ATOM 168 CB SER A 572 12.981 1.924 15.375 1.00 22.32 C ATOM 169 OG SER A 572 13.114 1.906 13.965 1.00 53.20 O ATOM 0 H SER A 572 12.287 -0.837 14.503 1.00 51.24 H new ATOM 0 HA SER A 572 12.133 0.735 16.952 1.00 22.42 H new ATOM 0 HB2 SER A 572 12.528 2.864 15.689 1.00 22.32 H new ATOM 0 HB3 SER A 572 13.967 1.876 15.837 1.00 22.32 H new ATOM 0 HG SER A 572 13.663 2.666 13.678 1.00 53.20 H new ATOM 174 N GLN A 573 9.909 1.689 16.150 1.00 52.52 N ATOM 175 CA GLN A 573 8.512 1.937 15.809 1.00 34.24 C ATOM 176 C GLN A 573 8.210 3.431 15.801 1.00 14.34 C ATOM 177 O GLN A 573 7.552 3.947 16.704 1.00 71.22 O ATOM 178 CB GLN A 573 7.590 1.224 16.799 1.00 32.33 C ATOM 179 CG GLN A 573 7.578 -0.288 16.639 1.00 12.33 C ATOM 180 CD GLN A 573 7.348 -0.721 15.204 1.00 60.15 C ATOM 181 OE1 GLN A 573 6.479 -0.187 14.514 1.00 73.52 O ATOM 182 NE2 GLN A 573 8.128 -1.694 14.748 1.00 22.04 N ATOM 0 H GLN A 573 10.222 2.145 17.007 1.00 52.52 H new ATOM 0 HA GLN A 573 8.333 1.544 14.808 1.00 34.24 H new ATOM 0 HB2 GLN A 573 7.900 1.471 17.814 1.00 32.33 H new ATOM 0 HB3 GLN A 573 6.575 1.602 16.675 1.00 32.33 H new ATOM 0 HG2 GLN A 573 8.527 -0.694 16.989 1.00 12.33 H new ATOM 0 HG3 GLN A 573 6.797 -0.710 17.272 1.00 12.33 H new ATOM 0 HE21 GLN A 573 8.835 -2.108 15.355 1.00 22.04 H new ATOM 0 HE22 GLN A 573 8.020 -2.028 13.790 1.00 22.04 H new ATOM 189 N ARG A 574 8.695 4.122 14.774 1.00 71.04 N ATOM 190 CA ARG A 574 8.478 5.559 14.649 1.00 33.42 C ATOM 191 C ARG A 574 7.765 5.889 13.341 1.00 73.23 C ATOM 192 O ARG A 574 8.352 6.479 12.434 1.00 14.12 O ATOM 193 CB ARG A 574 9.811 6.306 14.718 1.00 32.31 C ATOM 194 CG ARG A 574 10.651 5.942 15.932 1.00 14.24 C ATOM 195 CD ARG A 574 10.026 6.461 17.216 1.00 44.14 C ATOM 196 NE ARG A 574 10.380 7.854 17.475 1.00 32.00 N ATOM 197 CZ ARG A 574 10.115 8.481 18.616 1.00 35.14 C ATOM 198 NH1 ARG A 574 9.497 7.842 19.599 1.00 21.52 N ATOM 199 NH2 ARG A 574 10.469 9.749 18.774 1.00 54.14 N ATOM 0 H ARG A 574 9.241 3.710 14.017 1.00 71.04 H new ATOM 0 HA ARG A 574 7.847 5.879 15.478 1.00 33.42 H new ATOM 0 HB2 ARG A 574 10.383 6.095 13.814 1.00 32.31 H new ATOM 0 HB3 ARG A 574 9.617 7.378 14.729 1.00 32.31 H new ATOM 0 HG2 ARG A 574 10.759 4.859 15.990 1.00 14.24 H new ATOM 0 HG3 ARG A 574 11.653 6.356 15.820 1.00 14.24 H new ATOM 0 HD2 ARG A 574 8.942 6.368 17.154 1.00 44.14 H new ATOM 0 HD3 ARG A 574 10.352 5.843 18.053 1.00 44.14 H new ATOM 0 HE ARG A 574 10.857 8.375 16.739 1.00 32.00 H new ATOM 0 HH11 ARG A 574 9.224 6.866 19.481 1.00 21.52 H new ATOM 0 HH12 ARG A 574 9.295 8.326 20.474 1.00 21.52 H new ATOM 0 HH21 ARG A 574 10.945 10.243 18.019 1.00 54.14 H new ATOM 0 HH22 ARG A 574 10.265 10.230 19.650 1.00 54.14 H new ATOM 210 N ARG A 575 6.496 5.504 13.251 1.00 20.20 N ATOM 211 CA ARG A 575 5.704 5.758 12.054 1.00 45.21 C ATOM 212 C ARG A 575 5.765 7.231 11.664 1.00 14.30 C ATOM 213 O ARG A 575 5.779 8.111 12.524 1.00 43.43 O ATOM 214 CB ARG A 575 4.249 5.339 12.282 1.00 53.21 C ATOM 215 CG ARG A 575 3.638 5.925 13.544 1.00 2.03 C ATOM 216 CD ARG A 575 2.322 5.246 13.893 1.00 13.23 C ATOM 217 NE ARG A 575 1.858 5.605 15.229 1.00 54.53 N ATOM 218 CZ ARG A 575 0.940 4.918 15.898 1.00 63.30 C ATOM 219 NH1 ARG A 575 0.391 3.839 15.358 1.00 22.51 N ATOM 220 NH2 ARG A 575 0.568 5.309 17.111 1.00 32.32 N ATOM 0 H ARG A 575 5.995 5.015 13.993 1.00 20.20 H new ATOM 0 HA ARG A 575 6.122 5.167 11.239 1.00 45.21 H new ATOM 0 HB2 ARG A 575 3.652 5.646 11.423 1.00 53.21 H new ATOM 0 HB3 ARG A 575 4.197 4.252 12.334 1.00 53.21 H new ATOM 0 HG2 ARG A 575 4.337 5.814 14.373 1.00 2.03 H new ATOM 0 HG3 ARG A 575 3.472 6.994 13.407 1.00 2.03 H new ATOM 0 HD2 ARG A 575 1.565 5.524 13.160 1.00 13.23 H new ATOM 0 HD3 ARG A 575 2.444 4.165 13.830 1.00 13.23 H new ATOM 0 HE ARG A 575 2.261 6.430 15.674 1.00 54.53 H new ATOM 0 HH11 ARG A 575 0.674 3.535 14.426 1.00 22.51 H new ATOM 0 HH12 ARG A 575 -0.314 3.313 15.874 1.00 22.51 H new ATOM 0 HH21 ARG A 575 0.988 6.139 17.530 1.00 32.32 H new ATOM 0 HH22 ARG A 575 -0.138 4.780 17.623 1.00 32.32 H new ATOM 231 N ILE A 576 5.802 7.491 10.361 1.00 32.21 N ATOM 232 CA ILE A 576 5.863 8.857 9.857 1.00 1.41 C ATOM 233 C ILE A 576 4.801 9.096 8.788 1.00 50.12 C ATOM 234 O ILE A 576 4.466 8.195 8.020 1.00 5.34 O ATOM 235 CB ILE A 576 7.248 9.181 9.269 1.00 32.41 C ATOM 236 CG1 ILE A 576 8.351 8.764 10.245 1.00 1.50 C ATOM 237 CG2 ILE A 576 7.354 10.663 8.943 1.00 61.24 C ATOM 238 CD1 ILE A 576 9.748 8.983 9.708 1.00 4.13 C ATOM 0 H ILE A 576 5.791 6.774 9.636 1.00 32.21 H new ATOM 0 HA ILE A 576 5.676 9.514 10.706 1.00 1.41 H new ATOM 0 HB ILE A 576 7.374 8.617 8.345 1.00 32.41 H new ATOM 0 HG12 ILE A 576 8.235 9.325 11.173 1.00 1.50 H new ATOM 0 HG13 ILE A 576 8.227 7.710 10.492 1.00 1.50 H new ATOM 0 HG21 ILE A 576 8.340 10.875 8.528 1.00 61.24 H new ATOM 0 HG22 ILE A 576 6.589 10.931 8.215 1.00 61.24 H new ATOM 0 HG23 ILE A 576 7.210 11.247 9.852 1.00 61.24 H new ATOM 0 HD11 ILE A 576 10.478 8.665 10.453 1.00 4.13 H new ATOM 0 HD12 ILE A 576 9.883 8.401 8.796 1.00 4.13 H new ATOM 0 HD13 ILE A 576 9.891 10.041 9.487 1.00 4.13 H new ATOM 249 N ARG A 577 4.278 10.316 8.745 1.00 1.51 N ATOM 250 CA ARG A 577 3.254 10.674 7.770 1.00 32.13 C ATOM 251 C ARG A 577 3.828 11.587 6.690 1.00 21.15 C ATOM 252 O ARG A 577 4.203 12.728 6.961 1.00 64.34 O ATOM 253 CB ARG A 577 2.078 11.364 8.463 1.00 42.52 C ATOM 254 CG ARG A 577 1.335 10.466 9.439 1.00 44.40 C ATOM 255 CD ARG A 577 0.469 9.449 8.712 1.00 64.30 C ATOM 256 NE ARG A 577 -0.483 10.088 7.807 1.00 62.42 N ATOM 257 CZ ARG A 577 -1.267 9.415 6.972 1.00 14.11 C ATOM 258 NH1 ARG A 577 -1.212 8.091 6.926 1.00 70.14 N ATOM 259 NH2 ARG A 577 -2.108 10.068 6.179 1.00 30.53 N ATOM 0 H ARG A 577 4.546 11.074 9.373 1.00 1.51 H new ATOM 0 HA ARG A 577 2.901 9.757 7.298 1.00 32.13 H new ATOM 0 HB2 ARG A 577 2.445 12.241 8.996 1.00 42.52 H new ATOM 0 HB3 ARG A 577 1.379 11.720 7.706 1.00 42.52 H new ATOM 0 HG2 ARG A 577 2.052 9.947 10.075 1.00 44.40 H new ATOM 0 HG3 ARG A 577 0.711 11.075 10.093 1.00 44.40 H new ATOM 0 HD2 ARG A 577 1.106 8.769 8.147 1.00 64.30 H new ATOM 0 HD3 ARG A 577 -0.073 8.847 9.441 1.00 64.30 H new ATOM 0 HE ARG A 577 -0.549 11.106 7.817 1.00 62.42 H new ATOM 0 HH11 ARG A 577 -0.566 7.586 7.533 1.00 70.14 H new ATOM 0 HH12 ARG A 577 -1.815 7.578 6.284 1.00 70.14 H new ATOM 0 HH21 ARG A 577 -2.152 11.087 6.211 1.00 30.53 H new ATOM 0 HH22 ARG A 577 -2.710 9.551 5.538 1.00 30.53 H new ATOM 270 N ARG A 578 3.893 11.077 5.464 1.00 4.24 N ATOM 271 CA ARG A 578 4.422 11.844 4.344 1.00 73.02 C ATOM 272 C ARG A 578 3.370 12.010 3.252 1.00 23.21 C ATOM 273 O ARG A 578 2.414 11.239 3.155 1.00 22.34 O ATOM 274 CB ARG A 578 5.664 11.160 3.770 1.00 31.22 C ATOM 275 CG ARG A 578 6.969 11.829 4.172 1.00 52.11 C ATOM 276 CD ARG A 578 8.063 10.806 4.432 1.00 11.04 C ATOM 277 NE ARG A 578 8.829 11.116 5.636 1.00 2.14 N ATOM 278 CZ ARG A 578 9.730 12.090 5.704 1.00 43.44 C ATOM 279 NH1 ARG A 578 9.976 12.845 4.642 1.00 23.54 N ATOM 280 NH2 ARG A 578 10.385 12.311 6.836 1.00 34.03 N ATOM 0 H ARG A 578 3.585 10.135 5.222 1.00 4.24 H new ATOM 0 HA ARG A 578 4.697 12.832 4.712 1.00 73.02 H new ATOM 0 HB2 ARG A 578 5.681 10.121 4.100 1.00 31.22 H new ATOM 0 HB3 ARG A 578 5.592 11.148 2.682 1.00 31.22 H new ATOM 0 HG2 ARG A 578 7.287 12.511 3.384 1.00 52.11 H new ATOM 0 HG3 ARG A 578 6.810 12.429 5.068 1.00 52.11 H new ATOM 0 HD2 ARG A 578 7.617 9.816 4.531 1.00 11.04 H new ATOM 0 HD3 ARG A 578 8.735 10.769 3.575 1.00 11.04 H new ATOM 0 HE ARG A 578 8.663 10.554 6.471 1.00 2.14 H new ATOM 0 HH11 ARG A 578 9.473 12.679 3.770 1.00 23.54 H new ATOM 0 HH12 ARG A 578 10.668 13.592 4.697 1.00 23.54 H new ATOM 0 HH21 ARG A 578 10.197 11.733 7.655 1.00 34.03 H new ATOM 0 HH22 ARG A 578 11.077 13.059 6.887 1.00 34.03 H new ATOM 291 N PRO A 579 3.547 13.038 2.410 1.00 3.45 N ATOM 292 CA PRO A 579 2.622 13.328 1.309 1.00 5.41 C ATOM 293 C PRO A 579 2.691 12.282 0.202 1.00 14.03 C ATOM 294 O PRO A 579 3.429 12.442 -0.771 1.00 73.14 O ATOM 295 CB PRO A 579 3.101 14.687 0.792 1.00 51.11 C ATOM 296 CG PRO A 579 4.541 14.750 1.170 1.00 2.25 C ATOM 297 CD PRO A 579 4.663 13.997 2.465 1.00 42.24 C ATOM 0 HA PRO A 579 1.583 13.324 1.638 1.00 5.41 H new ATOM 0 HB2 PRO A 579 2.971 14.768 -0.287 1.00 51.11 H new ATOM 0 HB3 PRO A 579 2.537 15.503 1.243 1.00 51.11 H new ATOM 0 HG2 PRO A 579 5.167 14.302 0.398 1.00 2.25 H new ATOM 0 HG3 PRO A 579 4.869 15.783 1.287 1.00 2.25 H new ATOM 0 HD2 PRO A 579 5.625 13.490 2.546 1.00 42.24 H new ATOM 0 HD3 PRO A 579 4.580 14.661 3.325 1.00 42.24 H new ATOM 302 N PHE A 580 1.920 11.211 0.356 1.00 50.52 N ATOM 303 CA PHE A 580 1.895 10.139 -0.632 1.00 61.24 C ATOM 304 C PHE A 580 0.784 10.366 -1.653 1.00 31.53 C ATOM 305 O PHE A 580 -0.336 10.733 -1.298 1.00 73.54 O ATOM 306 CB PHE A 580 1.700 8.787 0.059 1.00 30.34 C ATOM 307 CG PHE A 580 0.620 8.796 1.102 1.00 53.14 C ATOM 308 CD1 PHE A 580 -0.716 8.748 0.736 1.00 53.22 C ATOM 309 CD2 PHE A 580 0.941 8.854 2.449 1.00 3.55 C ATOM 310 CE1 PHE A 580 -1.712 8.756 1.694 1.00 61.43 C ATOM 311 CE2 PHE A 580 -0.051 8.861 3.411 1.00 43.54 C ATOM 312 CZ PHE A 580 -1.380 8.814 3.033 1.00 34.50 C ATOM 0 H PHE A 580 1.304 11.062 1.155 1.00 50.52 H new ATOM 0 HA PHE A 580 2.851 10.138 -1.156 1.00 61.24 H new ATOM 0 HB2 PHE A 580 1.461 8.035 -0.693 1.00 30.34 H new ATOM 0 HB3 PHE A 580 2.639 8.487 0.523 1.00 30.34 H new ATOM 0 HD1 PHE A 580 -0.982 8.704 -0.310 1.00 53.22 H new ATOM 0 HD2 PHE A 580 1.977 8.894 2.750 1.00 3.55 H new ATOM 0 HE1 PHE A 580 -2.749 8.717 1.396 1.00 61.43 H new ATOM 0 HE2 PHE A 580 0.212 8.903 4.458 1.00 43.54 H new ATOM 0 HZ PHE A 580 -2.157 8.823 3.783 1.00 34.50 H new ATOM 321 N SER A 581 1.104 10.144 -2.924 1.00 55.52 N ATOM 322 CA SER A 581 0.137 10.328 -3.999 1.00 42.23 C ATOM 323 C SER A 581 -0.383 8.984 -4.499 1.00 24.34 C ATOM 324 O SER A 581 0.143 7.930 -4.140 1.00 24.13 O ATOM 325 CB SER A 581 0.769 11.105 -5.156 1.00 42.34 C ATOM 326 OG SER A 581 1.690 12.071 -4.678 1.00 24.35 O ATOM 0 H SER A 581 2.026 9.836 -3.234 1.00 55.52 H new ATOM 0 HA SER A 581 -0.703 10.899 -3.603 1.00 42.23 H new ATOM 0 HB2 SER A 581 1.278 10.414 -5.828 1.00 42.34 H new ATOM 0 HB3 SER A 581 -0.011 11.597 -5.737 1.00 42.34 H new ATOM 0 HG SER A 581 2.501 11.621 -4.362 1.00 24.35 H new ATOM 331 N VAL A 582 -1.420 9.028 -5.330 1.00 72.21 N ATOM 332 CA VAL A 582 -2.010 7.815 -5.880 1.00 5.41 C ATOM 333 C VAL A 582 -0.947 6.922 -6.510 1.00 31.10 C ATOM 334 O VAL A 582 -0.974 5.702 -6.353 1.00 5.34 O ATOM 335 CB VAL A 582 -3.082 8.142 -6.938 1.00 61.10 C ATOM 336 CG1 VAL A 582 -3.656 6.865 -7.530 1.00 23.33 C ATOM 337 CG2 VAL A 582 -4.183 9.000 -6.333 1.00 73.33 C ATOM 0 H VAL A 582 -1.868 9.891 -5.637 1.00 72.21 H new ATOM 0 HA VAL A 582 -2.478 7.287 -5.049 1.00 5.41 H new ATOM 0 HB VAL A 582 -2.612 8.708 -7.743 1.00 61.10 H new ATOM 0 HG11 VAL A 582 -4.411 7.117 -8.275 1.00 23.33 H new ATOM 0 HG12 VAL A 582 -2.858 6.292 -8.002 1.00 23.33 H new ATOM 0 HG13 VAL A 582 -4.111 6.270 -6.739 1.00 23.33 H new ATOM 0 HG21 VAL A 582 -4.931 9.221 -7.094 1.00 73.33 H new ATOM 0 HG22 VAL A 582 -4.652 8.462 -5.509 1.00 73.33 H new ATOM 0 HG23 VAL A 582 -3.756 9.932 -5.962 1.00 73.33 H new ATOM 347 N ALA A 583 -0.010 7.540 -7.222 1.00 62.43 N ATOM 348 CA ALA A 583 1.064 6.801 -7.873 1.00 75.00 C ATOM 349 C ALA A 583 2.045 6.241 -6.848 1.00 24.13 C ATOM 350 O ALA A 583 2.639 5.184 -7.058 1.00 23.25 O ATOM 351 CB ALA A 583 1.792 7.694 -8.867 1.00 12.04 C ATOM 0 H ALA A 583 0.027 8.550 -7.362 1.00 62.43 H new ATOM 0 HA ALA A 583 0.620 5.963 -8.410 1.00 75.00 H new ATOM 0 HB1 ALA A 583 2.592 7.129 -9.346 1.00 12.04 H new ATOM 0 HB2 ALA A 583 1.090 8.043 -9.625 1.00 12.04 H new ATOM 0 HB3 ALA A 583 2.216 8.551 -8.344 1.00 12.04 H new ATOM 357 N GLU A 584 2.209 6.956 -5.739 1.00 22.35 N ATOM 358 CA GLU A 584 3.119 6.529 -4.684 1.00 63.12 C ATOM 359 C GLU A 584 2.523 5.371 -3.887 1.00 34.21 C ATOM 360 O GLU A 584 3.133 4.309 -3.763 1.00 55.12 O ATOM 361 CB GLU A 584 3.434 7.698 -3.747 1.00 24.02 C ATOM 362 CG GLU A 584 3.980 8.921 -4.463 1.00 21.30 C ATOM 363 CD GLU A 584 4.671 9.887 -3.522 1.00 34.02 C ATOM 364 OE1 GLU A 584 5.728 9.520 -2.966 1.00 1.10 O ATOM 365 OE2 GLU A 584 4.157 11.011 -3.340 1.00 33.53 O ATOM 0 H GLU A 584 1.724 7.833 -5.549 1.00 22.35 H new ATOM 0 HA GLU A 584 4.043 6.189 -5.152 1.00 63.12 H new ATOM 0 HB2 GLU A 584 2.527 7.976 -3.210 1.00 24.02 H new ATOM 0 HB3 GLU A 584 4.158 7.370 -3.001 1.00 24.02 H new ATOM 0 HG2 GLU A 584 4.684 8.603 -5.232 1.00 21.30 H new ATOM 0 HG3 GLU A 584 3.164 9.435 -4.970 1.00 21.30 H new ATOM 370 N VAL A 585 1.327 5.584 -3.349 1.00 52.41 N ATOM 371 CA VAL A 585 0.647 4.560 -2.565 1.00 34.54 C ATOM 372 C VAL A 585 0.515 3.262 -3.354 1.00 2.34 C ATOM 373 O VAL A 585 0.574 2.172 -2.788 1.00 65.52 O ATOM 374 CB VAL A 585 -0.754 5.026 -2.126 1.00 33.32 C ATOM 375 CG1 VAL A 585 -1.474 3.917 -1.374 1.00 3.55 C ATOM 376 CG2 VAL A 585 -0.654 6.282 -1.273 1.00 32.02 C ATOM 0 H VAL A 585 0.808 6.457 -3.442 1.00 52.41 H new ATOM 0 HA VAL A 585 1.256 4.383 -1.679 1.00 34.54 H new ATOM 0 HB VAL A 585 -1.335 5.265 -3.017 1.00 33.32 H new ATOM 0 HG11 VAL A 585 -2.462 4.264 -1.072 1.00 3.55 H new ATOM 0 HG12 VAL A 585 -1.578 3.046 -2.021 1.00 3.55 H new ATOM 0 HG13 VAL A 585 -0.899 3.645 -0.489 1.00 3.55 H new ATOM 0 HG21 VAL A 585 -1.653 6.598 -0.972 1.00 32.02 H new ATOM 0 HG22 VAL A 585 -0.056 6.073 -0.386 1.00 32.02 H new ATOM 0 HG23 VAL A 585 -0.181 7.077 -1.850 1.00 32.02 H new ATOM 386 N GLU A 586 0.336 3.388 -4.665 1.00 4.41 N ATOM 387 CA GLU A 586 0.195 2.224 -5.532 1.00 13.31 C ATOM 388 C GLU A 586 1.331 1.232 -5.300 1.00 53.43 C ATOM 389 O GLU A 586 1.153 0.024 -5.443 1.00 44.11 O ATOM 390 CB GLU A 586 0.170 2.654 -7.000 1.00 22.32 C ATOM 391 CG GLU A 586 1.520 2.540 -7.691 1.00 42.24 C ATOM 392 CD GLU A 586 1.567 3.294 -9.005 1.00 1.34 C ATOM 393 OE1 GLU A 586 0.492 3.514 -9.601 1.00 3.13 O ATOM 394 OE2 GLU A 586 2.679 3.662 -9.439 1.00 42.42 O ATOM 0 H GLU A 586 0.285 4.284 -5.150 1.00 4.41 H new ATOM 0 HA GLU A 586 -0.748 1.734 -5.289 1.00 13.31 H new ATOM 0 HB2 GLU A 586 -0.556 2.043 -7.536 1.00 22.32 H new ATOM 0 HB3 GLU A 586 -0.174 3.686 -7.062 1.00 22.32 H new ATOM 0 HG2 GLU A 586 2.297 2.923 -7.029 1.00 42.24 H new ATOM 0 HG3 GLU A 586 1.744 1.489 -7.871 1.00 42.24 H new ATOM 399 N ALA A 587 2.500 1.754 -4.942 1.00 61.11 N ATOM 400 CA ALA A 587 3.665 0.915 -4.688 1.00 40.41 C ATOM 401 C ALA A 587 3.481 0.089 -3.420 1.00 31.41 C ATOM 402 O ALA A 587 3.776 -1.107 -3.398 1.00 61.42 O ATOM 403 CB ALA A 587 4.919 1.771 -4.585 1.00 14.44 C ATOM 0 H ALA A 587 2.665 2.753 -4.821 1.00 61.11 H new ATOM 0 HA ALA A 587 3.776 0.226 -5.526 1.00 40.41 H new ATOM 0 HB1 ALA A 587 5.781 1.132 -4.395 1.00 14.44 H new ATOM 0 HB2 ALA A 587 5.067 2.313 -5.519 1.00 14.44 H new ATOM 0 HB3 ALA A 587 4.808 2.482 -3.767 1.00 14.44 H new ATOM 409 N LEU A 588 2.994 0.733 -2.365 1.00 12.44 N ATOM 410 CA LEU A 588 2.771 0.057 -1.092 1.00 24.30 C ATOM 411 C LEU A 588 1.911 -1.189 -1.280 1.00 43.43 C ATOM 412 O LEU A 588 2.268 -2.277 -0.828 1.00 13.03 O ATOM 413 CB LEU A 588 2.102 1.008 -0.097 1.00 33.12 C ATOM 414 CG LEU A 588 2.407 0.757 1.380 1.00 20.22 C ATOM 415 CD1 LEU A 588 2.241 -0.717 1.716 1.00 72.22 C ATOM 416 CD2 LEU A 588 3.813 1.230 1.722 1.00 2.20 C ATOM 0 H LEU A 588 2.746 1.722 -2.366 1.00 12.44 H new ATOM 0 HA LEU A 588 3.740 -0.249 -0.697 1.00 24.30 H new ATOM 0 HB2 LEU A 588 2.402 2.027 -0.341 1.00 33.12 H new ATOM 0 HB3 LEU A 588 1.023 0.951 -0.239 1.00 33.12 H new ATOM 0 HG LEU A 588 1.698 1.327 1.980 1.00 20.22 H new ATOM 0 HD11 LEU A 588 2.462 -0.877 2.771 1.00 72.22 H new ATOM 0 HD12 LEU A 588 1.216 -1.024 1.510 1.00 72.22 H new ATOM 0 HD13 LEU A 588 2.926 -1.308 1.108 1.00 72.22 H new ATOM 0 HD21 LEU A 588 4.013 1.044 2.777 1.00 2.20 H new ATOM 0 HD22 LEU A 588 4.537 0.688 1.114 1.00 2.20 H new ATOM 0 HD23 LEU A 588 3.897 2.298 1.520 1.00 2.20 H new ATOM 427 N VAL A 589 0.775 -1.022 -1.950 1.00 13.33 N ATOM 428 CA VAL A 589 -0.135 -2.133 -2.201 1.00 11.23 C ATOM 429 C VAL A 589 0.446 -3.097 -3.230 1.00 10.43 C ATOM 430 O VAL A 589 0.378 -4.314 -3.062 1.00 43.15 O ATOM 431 CB VAL A 589 -1.506 -1.635 -2.696 1.00 21.12 C ATOM 432 CG1 VAL A 589 -1.347 -0.796 -3.954 1.00 75.12 C ATOM 433 CG2 VAL A 589 -2.440 -2.809 -2.943 1.00 3.52 C ATOM 0 H VAL A 589 0.463 -0.128 -2.329 1.00 13.33 H new ATOM 0 HA VAL A 589 -0.267 -2.654 -1.253 1.00 11.23 H new ATOM 0 HB VAL A 589 -1.946 -1.006 -1.922 1.00 21.12 H new ATOM 0 HG11 VAL A 589 -2.326 -0.453 -4.289 1.00 75.12 H new ATOM 0 HG12 VAL A 589 -0.715 0.066 -3.739 1.00 75.12 H new ATOM 0 HG13 VAL A 589 -0.886 -1.398 -4.737 1.00 75.12 H new ATOM 0 HG21 VAL A 589 -3.404 -2.440 -3.292 1.00 3.52 H new ATOM 0 HG22 VAL A 589 -2.008 -3.465 -3.698 1.00 3.52 H new ATOM 0 HG23 VAL A 589 -2.579 -3.365 -2.016 1.00 3.52 H new ATOM 443 N GLU A 590 1.016 -2.544 -4.296 1.00 51.14 N ATOM 444 CA GLU A 590 1.608 -3.356 -5.352 1.00 13.03 C ATOM 445 C GLU A 590 2.606 -4.355 -4.776 1.00 63.44 C ATOM 446 O GLU A 590 2.575 -5.540 -5.107 1.00 31.21 O ATOM 447 CB GLU A 590 2.302 -2.463 -6.384 1.00 62.31 C ATOM 448 CG GLU A 590 1.382 -1.991 -7.496 1.00 12.32 C ATOM 449 CD GLU A 590 2.058 -1.011 -8.436 1.00 73.42 C ATOM 450 OE1 GLU A 590 3.162 -0.533 -8.101 1.00 73.11 O ATOM 451 OE2 GLU A 590 1.483 -0.721 -9.506 1.00 62.10 O ATOM 0 H GLU A 590 1.080 -1.538 -4.451 1.00 51.14 H new ATOM 0 HA GLU A 590 0.807 -3.910 -5.841 1.00 13.03 H new ATOM 0 HB2 GLU A 590 2.721 -1.594 -5.877 1.00 62.31 H new ATOM 0 HB3 GLU A 590 3.137 -3.010 -6.822 1.00 62.31 H new ATOM 0 HG2 GLU A 590 1.034 -2.853 -8.065 1.00 12.32 H new ATOM 0 HG3 GLU A 590 0.501 -1.521 -7.059 1.00 12.32 H new ATOM 456 N ALA A 591 3.490 -3.869 -3.911 1.00 64.11 N ATOM 457 CA ALA A 591 4.496 -4.719 -3.287 1.00 42.23 C ATOM 458 C ALA A 591 3.857 -5.701 -2.311 1.00 3.45 C ATOM 459 O ALA A 591 4.323 -6.829 -2.155 1.00 65.50 O ATOM 460 CB ALA A 591 5.538 -3.870 -2.575 1.00 52.54 C ATOM 0 H ALA A 591 3.530 -2.890 -3.626 1.00 64.11 H new ATOM 0 HA ALA A 591 4.986 -5.294 -4.073 1.00 42.23 H new ATOM 0 HB1 ALA A 591 6.283 -4.519 -2.114 1.00 52.54 H new ATOM 0 HB2 ALA A 591 6.025 -3.213 -3.295 1.00 52.54 H new ATOM 0 HB3 ALA A 591 5.054 -3.269 -1.805 1.00 52.54 H new ATOM 466 N VAL A 592 2.785 -5.265 -1.656 1.00 21.02 N ATOM 467 CA VAL A 592 2.080 -6.106 -0.696 1.00 72.04 C ATOM 468 C VAL A 592 1.251 -7.171 -1.403 1.00 21.04 C ATOM 469 O VAL A 592 0.979 -8.232 -0.842 1.00 25.45 O ATOM 470 CB VAL A 592 1.157 -5.270 0.211 1.00 35.40 C ATOM 471 CG1 VAL A 592 0.196 -6.172 0.970 1.00 32.32 C ATOM 472 CG2 VAL A 592 1.979 -4.423 1.171 1.00 65.32 C ATOM 0 H VAL A 592 2.386 -4.334 -1.773 1.00 21.02 H new ATOM 0 HA VAL A 592 2.839 -6.590 -0.082 1.00 72.04 H new ATOM 0 HB VAL A 592 0.569 -4.599 -0.416 1.00 35.40 H new ATOM 0 HG11 VAL A 592 -0.448 -5.564 1.606 1.00 32.32 H new ATOM 0 HG12 VAL A 592 -0.416 -6.730 0.261 1.00 32.32 H new ATOM 0 HG13 VAL A 592 0.762 -6.869 1.588 1.00 32.32 H new ATOM 0 HG21 VAL A 592 1.311 -3.839 1.804 1.00 65.32 H new ATOM 0 HG22 VAL A 592 2.594 -5.072 1.794 1.00 65.32 H new ATOM 0 HG23 VAL A 592 2.622 -3.750 0.603 1.00 65.32 H new ATOM 482 N GLU A 593 0.853 -6.881 -2.637 1.00 2.15 N ATOM 483 CA GLU A 593 0.054 -7.816 -3.422 1.00 40.44 C ATOM 484 C GLU A 593 0.905 -8.985 -3.907 1.00 65.42 C ATOM 485 O GLU A 593 0.460 -10.134 -3.908 1.00 4.10 O ATOM 486 CB GLU A 593 -0.580 -7.102 -4.617 1.00 53.13 C ATOM 487 CG GLU A 593 -2.097 -7.044 -4.558 1.00 31.41 C ATOM 488 CD GLU A 593 -2.754 -8.131 -5.388 1.00 51.12 C ATOM 489 OE1 GLU A 593 -2.052 -9.089 -5.776 1.00 51.53 O ATOM 490 OE2 GLU A 593 -3.971 -8.024 -5.647 1.00 35.21 O ATOM 0 H GLU A 593 1.070 -6.007 -3.115 1.00 2.15 H new ATOM 0 HA GLU A 593 -0.736 -8.206 -2.780 1.00 40.44 H new ATOM 0 HB2 GLU A 593 -0.188 -6.086 -4.672 1.00 53.13 H new ATOM 0 HB3 GLU A 593 -0.280 -7.610 -5.534 1.00 53.13 H new ATOM 0 HG2 GLU A 593 -2.421 -7.138 -3.521 1.00 31.41 H new ATOM 0 HG3 GLU A 593 -2.434 -6.069 -4.910 1.00 31.41 H new ATOM 495 N HIS A 594 2.133 -8.687 -4.317 1.00 15.34 N ATOM 496 CA HIS A 594 3.048 -9.712 -4.804 1.00 32.42 C ATOM 497 C HIS A 594 3.807 -10.358 -3.649 1.00 50.41 C ATOM 498 O HIS A 594 3.912 -11.582 -3.568 1.00 5.31 O ATOM 499 CB HIS A 594 4.036 -9.112 -5.805 1.00 60.01 C ATOM 500 CG HIS A 594 3.387 -8.610 -7.059 1.00 34.42 C ATOM 501 ND1 HIS A 594 4.001 -7.726 -7.921 1.00 44.52 N ATOM 502 CD2 HIS A 594 2.173 -8.875 -7.595 1.00 1.02 C ATOM 503 CE1 HIS A 594 3.191 -7.468 -8.933 1.00 71.30 C ATOM 504 NE2 HIS A 594 2.075 -8.153 -8.759 1.00 41.12 N ATOM 0 H HIS A 594 2.518 -7.742 -4.322 1.00 15.34 H new ATOM 0 HA HIS A 594 2.458 -10.481 -5.303 1.00 32.42 H new ATOM 0 HB2 HIS A 594 4.570 -8.290 -5.328 1.00 60.01 H new ATOM 0 HB3 HIS A 594 4.779 -9.866 -6.067 1.00 60.01 H new ATOM 0 HD2 HIS A 594 1.421 -9.532 -7.184 1.00 1.02 H new ATOM 0 HE1 HIS A 594 3.405 -6.809 -9.761 1.00 71.30 H new ATOM 0 HE2 HIS A 594 1.271 -8.147 -9.387 1.00 41.12 H new ATOM 511 N LEU A 595 4.334 -9.527 -2.756 1.00 63.11 N ATOM 512 CA LEU A 595 5.083 -10.017 -1.604 1.00 42.41 C ATOM 513 C LEU A 595 4.140 -10.491 -0.502 1.00 14.24 C ATOM 514 O LEU A 595 4.509 -11.316 0.332 1.00 33.02 O ATOM 515 CB LEU A 595 6.004 -8.920 -1.067 1.00 63.12 C ATOM 516 CG LEU A 595 6.935 -8.265 -2.088 1.00 65.45 C ATOM 517 CD1 LEU A 595 7.323 -6.866 -1.635 1.00 74.33 C ATOM 518 CD2 LEU A 595 8.174 -9.121 -2.305 1.00 51.12 C ATOM 0 H LEU A 595 4.256 -8.511 -2.808 1.00 63.11 H new ATOM 0 HA LEU A 595 5.687 -10.864 -1.928 1.00 42.41 H new ATOM 0 HB2 LEU A 595 5.386 -8.143 -0.618 1.00 63.12 H new ATOM 0 HB3 LEU A 595 6.614 -9.344 -0.269 1.00 63.12 H new ATOM 0 HG LEU A 595 6.404 -8.183 -3.036 1.00 65.45 H new ATOM 0 HD11 LEU A 595 7.986 -6.415 -2.374 1.00 74.33 H new ATOM 0 HD12 LEU A 595 6.426 -6.255 -1.531 1.00 74.33 H new ATOM 0 HD13 LEU A 595 7.836 -6.924 -0.675 1.00 74.33 H new ATOM 0 HD21 LEU A 595 8.825 -8.640 -3.035 1.00 51.12 H new ATOM 0 HD22 LEU A 595 8.708 -9.235 -1.361 1.00 51.12 H new ATOM 0 HD23 LEU A 595 7.878 -10.103 -2.675 1.00 51.12 H new ATOM 529 N GLY A 596 2.919 -9.964 -0.508 1.00 33.53 N ATOM 530 CA GLY A 596 1.942 -10.346 0.494 1.00 3.24 C ATOM 531 C GLY A 596 2.002 -9.468 1.728 1.00 61.40 C ATOM 532 O GLY A 596 2.784 -8.518 1.786 1.00 24.20 O ATOM 0 H GLY A 596 2.590 -9.280 -1.189 1.00 33.53 H new ATOM 0 HA2 GLY A 596 0.943 -10.292 0.062 1.00 3.24 H new ATOM 0 HA3 GLY A 596 2.109 -11.384 0.782 1.00 3.24 H new ATOM 536 N THR A 597 1.174 -9.784 2.719 1.00 31.43 N ATOM 537 CA THR A 597 1.135 -9.016 3.956 1.00 2.30 C ATOM 538 C THR A 597 2.062 -9.616 5.007 1.00 2.22 C ATOM 539 O THR A 597 1.901 -9.374 6.202 1.00 73.22 O ATOM 540 CB THR A 597 -0.294 -8.945 4.528 1.00 42.04 C ATOM 541 OG1 THR A 597 -1.010 -10.141 4.205 1.00 24.25 O ATOM 542 CG2 THR A 597 -1.038 -7.738 3.979 1.00 12.10 C ATOM 0 H THR A 597 0.521 -10.567 2.688 1.00 31.43 H new ATOM 0 HA THR A 597 1.472 -8.008 3.713 1.00 2.30 H new ATOM 0 HB THR A 597 -0.224 -8.845 5.611 1.00 42.04 H new ATOM 0 HG1 THR A 597 -1.917 -10.089 4.573 1.00 24.25 H new ATOM 0 HG21 THR A 597 -2.044 -7.710 4.397 1.00 12.10 H new ATOM 0 HG22 THR A 597 -0.505 -6.827 4.252 1.00 12.10 H new ATOM 0 HG23 THR A 597 -1.098 -7.811 2.893 1.00 12.10 H new ATOM 550 N GLY A 598 3.034 -10.402 4.553 1.00 12.43 N ATOM 551 CA GLY A 598 3.973 -11.024 5.467 1.00 21.23 C ATOM 552 C GLY A 598 5.415 -10.728 5.108 1.00 32.21 C ATOM 553 O GLY A 598 6.334 -11.349 5.641 1.00 15.01 O ATOM 0 H GLY A 598 3.187 -10.619 3.568 1.00 12.43 H new ATOM 0 HA2 GLY A 598 3.775 -10.674 6.480 1.00 21.23 H new ATOM 0 HA3 GLY A 598 3.816 -12.103 5.466 1.00 21.23 H new ATOM 557 N ARG A 599 5.614 -9.777 4.200 1.00 43.23 N ATOM 558 CA ARG A 599 6.954 -9.401 3.769 1.00 32.42 C ATOM 559 C ARG A 599 7.102 -7.884 3.711 1.00 45.04 C ATOM 560 O ARG A 599 7.196 -7.300 2.631 1.00 5.01 O ATOM 561 CB ARG A 599 7.260 -10.006 2.397 1.00 21.02 C ATOM 562 CG ARG A 599 7.643 -11.477 2.452 1.00 75.22 C ATOM 563 CD ARG A 599 8.362 -11.912 1.184 1.00 30.31 C ATOM 564 NE ARG A 599 8.276 -13.354 0.975 1.00 25.22 N ATOM 565 CZ ARG A 599 8.938 -14.244 1.705 1.00 63.12 C ATOM 566 NH1 ARG A 599 9.731 -13.841 2.689 1.00 11.34 N ATOM 567 NH2 ARG A 599 8.808 -15.541 1.453 1.00 51.44 N ATOM 0 H ARG A 599 4.864 -9.253 3.749 1.00 43.23 H new ATOM 0 HA ARG A 599 7.665 -9.790 4.498 1.00 32.42 H new ATOM 0 HB2 ARG A 599 6.387 -9.890 1.755 1.00 21.02 H new ATOM 0 HB3 ARG A 599 8.072 -9.445 1.935 1.00 21.02 H new ATOM 0 HG2 ARG A 599 8.284 -11.655 3.315 1.00 75.22 H new ATOM 0 HG3 ARG A 599 6.747 -12.083 2.590 1.00 75.22 H new ATOM 0 HD2 ARG A 599 7.931 -11.395 0.327 1.00 30.31 H new ATOM 0 HD3 ARG A 599 9.409 -11.616 1.241 1.00 30.31 H new ATOM 0 HE ARG A 599 7.674 -13.697 0.227 1.00 25.22 H new ATOM 0 HH11 ARG A 599 9.833 -12.846 2.886 1.00 11.34 H new ATOM 0 HH12 ARG A 599 10.238 -14.527 3.248 1.00 11.34 H new ATOM 0 HH21 ARG A 599 8.199 -15.855 0.698 1.00 51.44 H new ATOM 0 HH22 ARG A 599 9.317 -16.223 2.015 1.00 51.44 H new ATOM 578 N TRP A 600 7.122 -7.252 4.879 1.00 21.14 N ATOM 579 CA TRP A 600 7.257 -5.803 4.961 1.00 54.12 C ATOM 580 C TRP A 600 8.597 -5.348 4.393 1.00 12.13 C ATOM 581 O TRP A 600 8.655 -4.433 3.572 1.00 13.43 O ATOM 582 CB TRP A 600 7.120 -5.339 6.412 1.00 74.11 C ATOM 583 CG TRP A 600 5.965 -5.966 7.131 1.00 40.11 C ATOM 584 CD1 TRP A 600 4.712 -6.186 6.633 1.00 11.31 C ATOM 585 CD2 TRP A 600 5.954 -6.453 8.477 1.00 60.13 C ATOM 586 NE1 TRP A 600 3.924 -6.780 7.589 1.00 13.32 N ATOM 587 CE2 TRP A 600 4.663 -6.956 8.728 1.00 41.53 C ATOM 588 CE3 TRP A 600 6.911 -6.515 9.494 1.00 60.02 C ATOM 589 CZ2 TRP A 600 4.306 -7.510 9.955 1.00 20.04 C ATOM 590 CZ3 TRP A 600 6.555 -7.066 10.710 1.00 75.41 C ATOM 591 CH2 TRP A 600 5.262 -7.559 10.932 1.00 72.15 C ATOM 0 H TRP A 600 7.046 -7.720 5.782 1.00 21.14 H new ATOM 0 HA TRP A 600 6.461 -5.355 4.367 1.00 54.12 H new ATOM 0 HB2 TRP A 600 8.041 -5.570 6.948 1.00 74.11 H new ATOM 0 HB3 TRP A 600 7.004 -4.255 6.430 1.00 74.11 H new ATOM 0 HD1 TRP A 600 4.388 -5.931 5.635 1.00 11.31 H new ATOM 0 HE1 TRP A 600 2.947 -7.047 7.470 1.00 13.32 H new ATOM 0 HE3 TRP A 600 7.910 -6.139 9.332 1.00 60.02 H new ATOM 0 HZ2 TRP A 600 3.309 -7.888 10.129 1.00 20.04 H new ATOM 0 HZ3 TRP A 600 7.286 -7.118 11.503 1.00 75.41 H new ATOM 0 HH2 TRP A 600 5.016 -7.986 11.893 1.00 72.15 H new ATOM 601 N ARG A 601 9.672 -5.993 4.836 1.00 14.22 N ATOM 602 CA ARG A 601 11.011 -5.653 4.371 1.00 15.15 C ATOM 603 C ARG A 601 11.077 -5.663 2.845 1.00 64.55 C ATOM 604 O ARG A 601 11.716 -4.805 2.236 1.00 23.42 O ATOM 605 CB ARG A 601 12.037 -6.633 4.943 1.00 42.34 C ATOM 606 CG ARG A 601 12.039 -6.694 6.461 1.00 41.23 C ATOM 607 CD ARG A 601 12.590 -8.019 6.964 1.00 73.14 C ATOM 608 NE ARG A 601 12.141 -8.319 8.322 1.00 51.12 N ATOM 609 CZ ARG A 601 12.669 -7.767 9.409 1.00 3.34 C ATOM 610 NH1 ARG A 601 13.659 -6.893 9.298 1.00 40.45 N ATOM 611 NH2 ARG A 601 12.206 -8.091 10.610 1.00 51.23 N ATOM 0 H ARG A 601 9.641 -6.753 5.516 1.00 14.22 H new ATOM 0 HA ARG A 601 11.245 -4.647 4.721 1.00 15.15 H new ATOM 0 HB2 ARG A 601 11.836 -7.629 4.548 1.00 42.34 H new ATOM 0 HB3 ARG A 601 13.031 -6.348 4.598 1.00 42.34 H new ATOM 0 HG2 ARG A 601 12.638 -5.875 6.858 1.00 41.23 H new ATOM 0 HG3 ARG A 601 11.024 -6.556 6.833 1.00 41.23 H new ATOM 0 HD2 ARG A 601 12.277 -8.820 6.294 1.00 73.14 H new ATOM 0 HD3 ARG A 601 13.679 -7.991 6.940 1.00 73.14 H new ATOM 0 HE ARG A 601 11.381 -8.989 8.442 1.00 51.12 H new ATOM 0 HH11 ARG A 601 14.017 -6.643 8.376 1.00 40.45 H new ATOM 0 HH12 ARG A 601 14.063 -6.471 10.134 1.00 40.45 H new ATOM 0 HH21 ARG A 601 11.445 -8.764 10.699 1.00 51.23 H new ATOM 0 HH22 ARG A 601 12.612 -7.667 11.444 1.00 51.23 H new ATOM 622 N ASP A 602 10.412 -6.640 2.237 1.00 75.45 N ATOM 623 CA ASP A 602 10.395 -6.762 0.785 1.00 25.04 C ATOM 624 C ASP A 602 9.537 -5.667 0.157 1.00 61.41 C ATOM 625 O ASP A 602 9.807 -5.213 -0.955 1.00 21.11 O ATOM 626 CB ASP A 602 9.868 -8.138 0.374 1.00 71.51 C ATOM 627 CG ASP A 602 10.561 -9.267 1.111 1.00 34.42 C ATOM 628 OD1 ASP A 602 10.354 -9.390 2.335 1.00 62.53 O ATOM 629 OD2 ASP A 602 11.313 -10.026 0.463 1.00 0.32 O ATOM 0 H ASP A 602 9.878 -7.358 2.727 1.00 75.45 H new ATOM 0 HA ASP A 602 11.417 -6.650 0.424 1.00 25.04 H new ATOM 0 HB2 ASP A 602 8.796 -8.186 0.567 1.00 71.51 H new ATOM 0 HB3 ASP A 602 10.005 -8.271 -0.699 1.00 71.51 H new ATOM 633 N VAL A 603 8.501 -5.248 0.878 1.00 21.54 N ATOM 634 CA VAL A 603 7.603 -4.208 0.392 1.00 71.22 C ATOM 635 C VAL A 603 8.335 -2.880 0.235 1.00 75.32 C ATOM 636 O VAL A 603 8.094 -2.134 -0.713 1.00 14.10 O ATOM 637 CB VAL A 603 6.405 -4.013 1.341 1.00 55.21 C ATOM 638 CG1 VAL A 603 5.575 -2.812 0.913 1.00 13.12 C ATOM 639 CG2 VAL A 603 5.552 -5.271 1.387 1.00 70.51 C ATOM 0 H VAL A 603 8.264 -5.613 1.800 1.00 21.54 H new ATOM 0 HA VAL A 603 7.237 -4.535 -0.581 1.00 71.22 H new ATOM 0 HB VAL A 603 6.786 -3.823 2.344 1.00 55.21 H new ATOM 0 HG11 VAL A 603 4.733 -2.690 1.595 1.00 13.12 H new ATOM 0 HG12 VAL A 603 6.194 -1.915 0.936 1.00 13.12 H new ATOM 0 HG13 VAL A 603 5.202 -2.969 -0.099 1.00 13.12 H new ATOM 0 HG21 VAL A 603 4.710 -5.115 2.062 1.00 70.51 H new ATOM 0 HG22 VAL A 603 5.179 -5.494 0.387 1.00 70.51 H new ATOM 0 HG23 VAL A 603 6.154 -6.106 1.745 1.00 70.51 H new ATOM 649 N LYS A 604 9.231 -2.590 1.173 1.00 61.32 N ATOM 650 CA LYS A 604 10.001 -1.353 1.140 1.00 73.32 C ATOM 651 C LYS A 604 11.047 -1.392 0.030 1.00 62.14 C ATOM 652 O LYS A 604 11.239 -0.413 -0.689 1.00 42.21 O ATOM 653 CB LYS A 604 10.683 -1.117 2.490 1.00 11.42 C ATOM 654 CG LYS A 604 10.950 0.349 2.787 1.00 35.32 C ATOM 655 CD LYS A 604 11.688 0.524 4.104 1.00 54.34 C ATOM 656 CE LYS A 604 12.220 1.941 4.260 1.00 73.20 C ATOM 657 NZ LYS A 604 11.121 2.941 4.352 1.00 30.35 N ATOM 0 H LYS A 604 9.441 -3.196 1.966 1.00 61.32 H new ATOM 0 HA LYS A 604 9.313 -0.532 0.938 1.00 73.32 H new ATOM 0 HB2 LYS A 604 10.058 -1.532 3.281 1.00 11.42 H new ATOM 0 HB3 LYS A 604 11.627 -1.661 2.511 1.00 11.42 H new ATOM 0 HG2 LYS A 604 11.538 0.784 1.979 1.00 35.32 H new ATOM 0 HG3 LYS A 604 10.006 0.892 2.823 1.00 35.32 H new ATOM 0 HD2 LYS A 604 11.018 0.293 4.932 1.00 54.34 H new ATOM 0 HD3 LYS A 604 12.515 -0.184 4.156 1.00 54.34 H new ATOM 0 HE2 LYS A 604 12.839 1.999 5.155 1.00 73.20 H new ATOM 0 HE3 LYS A 604 12.861 2.183 3.412 1.00 73.20 H new ATOM 0 HZ1 LYS A 604 11.494 3.832 4.739 1.00 30.35 H new ATOM 0 HZ2 LYS A 604 10.728 3.113 3.405 1.00 30.35 H new ATOM 0 HZ3 LYS A 604 10.373 2.578 4.977 1.00 30.35 H new ATOM 667 N MET A 605 11.718 -2.531 -0.104 1.00 74.21 N ATOM 668 CA MET A 605 12.743 -2.698 -1.128 1.00 14.03 C ATOM 669 C MET A 605 12.116 -2.774 -2.516 1.00 10.43 C ATOM 670 O MET A 605 12.717 -2.347 -3.503 1.00 24.23 O ATOM 671 CB MET A 605 13.564 -3.960 -0.857 1.00 31.03 C ATOM 672 CG MET A 605 14.527 -3.820 0.310 1.00 44.43 C ATOM 673 SD MET A 605 15.931 -4.945 0.193 1.00 53.11 S ATOM 674 CE MET A 605 17.134 -3.900 -0.626 1.00 22.20 C ATOM 0 H MET A 605 11.571 -3.352 0.483 1.00 74.21 H new ATOM 0 HA MET A 605 13.402 -1.830 -1.093 1.00 14.03 H new ATOM 0 HB2 MET A 605 12.885 -4.790 -0.660 1.00 31.03 H new ATOM 0 HB3 MET A 605 14.128 -4.216 -1.754 1.00 31.03 H new ATOM 0 HG2 MET A 605 14.892 -2.794 0.354 1.00 44.43 H new ATOM 0 HG3 MET A 605 13.993 -4.008 1.241 1.00 44.43 H new ATOM 0 HE1 MET A 605 17.766 -4.510 -1.271 1.00 22.20 H new ATOM 0 HE2 MET A 605 16.617 -3.152 -1.227 1.00 22.20 H new ATOM 0 HE3 MET A 605 17.752 -3.402 0.121 1.00 22.20 H new ATOM 682 N ARG A 606 10.906 -3.318 -2.585 1.00 0.35 N ATOM 683 CA ARG A 606 10.198 -3.450 -3.854 1.00 60.14 C ATOM 684 C ARG A 606 9.514 -2.141 -4.234 1.00 54.24 C ATOM 685 O ARG A 606 9.516 -1.744 -5.399 1.00 41.23 O ATOM 686 CB ARG A 606 9.162 -4.573 -3.770 1.00 61.11 C ATOM 687 CG ARG A 606 8.241 -4.643 -4.976 1.00 34.10 C ATOM 688 CD ARG A 606 7.797 -6.070 -5.255 1.00 5.02 C ATOM 689 NE ARG A 606 8.751 -6.786 -6.099 1.00 3.41 N ATOM 690 CZ ARG A 606 8.872 -6.582 -7.406 1.00 22.02 C ATOM 691 NH1 ARG A 606 8.105 -5.689 -8.015 1.00 5.54 N ATOM 692 NH2 ARG A 606 9.763 -7.272 -8.106 1.00 61.22 N ATOM 0 H ARG A 606 10.395 -3.675 -1.778 1.00 0.35 H new ATOM 0 HA ARG A 606 10.929 -3.695 -4.625 1.00 60.14 H new ATOM 0 HB2 ARG A 606 9.680 -5.526 -3.663 1.00 61.11 H new ATOM 0 HB3 ARG A 606 8.560 -4.434 -2.872 1.00 61.11 H new ATOM 0 HG2 ARG A 606 7.366 -4.016 -4.804 1.00 34.10 H new ATOM 0 HG3 ARG A 606 8.754 -4.243 -5.851 1.00 34.10 H new ATOM 0 HD2 ARG A 606 7.676 -6.603 -4.312 1.00 5.02 H new ATOM 0 HD3 ARG A 606 6.821 -6.057 -5.741 1.00 5.02 H new ATOM 0 HE ARG A 606 9.357 -7.480 -5.661 1.00 3.41 H new ATOM 0 HH11 ARG A 606 7.419 -5.156 -7.480 1.00 5.54 H new ATOM 0 HH12 ARG A 606 8.200 -5.535 -9.019 1.00 5.54 H new ATOM 0 HH21 ARG A 606 10.356 -7.960 -7.641 1.00 61.22 H new ATOM 0 HH22 ARG A 606 9.855 -7.115 -9.110 1.00 61.22 H new ATOM 703 N ALA A 607 8.932 -1.474 -3.243 1.00 43.44 N ATOM 704 CA ALA A 607 8.245 -0.208 -3.474 1.00 21.30 C ATOM 705 C ALA A 607 9.226 0.959 -3.453 1.00 14.20 C ATOM 706 O ALA A 607 9.504 1.567 -4.487 1.00 10.01 O ATOM 707 CB ALA A 607 7.154 -0.002 -2.433 1.00 35.51 C ATOM 0 H ALA A 607 8.922 -1.789 -2.273 1.00 43.44 H new ATOM 0 HA ALA A 607 7.786 -0.246 -4.462 1.00 21.30 H new ATOM 0 HB1 ALA A 607 6.650 0.947 -2.617 1.00 35.51 H new ATOM 0 HB2 ALA A 607 6.432 -0.816 -2.497 1.00 35.51 H new ATOM 0 HB3 ALA A 607 7.598 0.011 -1.438 1.00 35.51 H new ATOM 713 N PHE A 608 9.747 1.268 -2.271 1.00 51.22 N ATOM 714 CA PHE A 608 10.695 2.365 -2.116 1.00 21.01 C ATOM 715 C PHE A 608 12.043 2.010 -2.739 1.00 63.12 C ATOM 716 O PHE A 608 12.640 0.986 -2.410 1.00 65.41 O ATOM 717 CB PHE A 608 10.878 2.704 -0.635 1.00 32.41 C ATOM 718 CG PHE A 608 9.628 3.215 0.023 1.00 34.34 C ATOM 719 CD1 PHE A 608 8.642 2.336 0.440 1.00 42.42 C ATOM 720 CD2 PHE A 608 9.440 4.573 0.221 1.00 43.02 C ATOM 721 CE1 PHE A 608 7.489 2.803 1.046 1.00 74.12 C ATOM 722 CE2 PHE A 608 8.291 5.045 0.826 1.00 63.10 C ATOM 723 CZ PHE A 608 7.313 4.160 1.238 1.00 74.42 C ATOM 0 H PHE A 608 9.529 0.774 -1.406 1.00 51.22 H new ATOM 0 HA PHE A 608 10.293 3.236 -2.633 1.00 21.01 H new ATOM 0 HB2 PHE A 608 11.219 1.814 -0.106 1.00 32.41 H new ATOM 0 HB3 PHE A 608 11.663 3.454 -0.537 1.00 32.41 H new ATOM 0 HD1 PHE A 608 8.775 1.275 0.291 1.00 42.42 H new ATOM 0 HD2 PHE A 608 10.199 5.270 -0.101 1.00 43.02 H new ATOM 0 HE1 PHE A 608 6.728 2.108 1.368 1.00 74.12 H new ATOM 0 HE2 PHE A 608 8.157 6.106 0.977 1.00 63.10 H new ATOM 0 HZ PHE A 608 6.413 4.528 1.709 1.00 74.42 H new ATOM 732 N ASP A 609 12.514 2.865 -3.639 1.00 40.01 N ATOM 733 CA ASP A 609 13.791 2.643 -4.308 1.00 34.02 C ATOM 734 C ASP A 609 14.952 2.811 -3.333 1.00 23.20 C ATOM 735 O ASP A 609 15.968 2.125 -3.439 1.00 1.44 O ATOM 736 CB ASP A 609 13.951 3.611 -5.482 1.00 52.44 C ATOM 737 CG ASP A 609 15.272 3.435 -6.202 1.00 34.50 C ATOM 738 OD1 ASP A 609 15.350 2.567 -7.097 1.00 63.15 O ATOM 739 OD2 ASP A 609 16.231 4.164 -5.871 1.00 41.22 O ATOM 0 H ASP A 609 12.032 3.718 -3.922 1.00 40.01 H new ATOM 0 HA ASP A 609 13.802 1.621 -4.686 1.00 34.02 H new ATOM 0 HB2 ASP A 609 13.134 3.460 -6.187 1.00 52.44 H new ATOM 0 HB3 ASP A 609 13.873 4.635 -5.118 1.00 52.44 H new ATOM 743 N ASN A 610 14.794 3.729 -2.385 1.00 2.21 N ATOM 744 CA ASN A 610 15.830 3.988 -1.392 1.00 61.13 C ATOM 745 C ASN A 610 15.620 3.127 -0.150 1.00 42.25 C ATOM 746 O ASN A 610 15.300 3.637 0.924 1.00 41.33 O ATOM 747 CB ASN A 610 15.836 5.468 -1.005 1.00 11.44 C ATOM 748 CG ASN A 610 16.313 6.359 -2.137 1.00 63.13 C ATOM 749 OD1 ASN A 610 15.517 7.041 -2.781 1.00 55.22 O ATOM 750 ND2 ASN A 610 17.618 6.355 -2.381 1.00 11.54 N ATOM 0 H ASN A 610 13.959 4.306 -2.284 1.00 2.21 H new ATOM 0 HA ASN A 610 16.793 3.731 -1.832 1.00 61.13 H new ATOM 0 HB2 ASN A 610 14.831 5.768 -0.709 1.00 11.44 H new ATOM 0 HB3 ASN A 610 16.480 5.611 -0.137 1.00 11.44 H new ATOM 0 HD21 ASN A 610 17.999 6.934 -3.129 1.00 11.54 H new ATOM 0 HD22 ASN A 610 18.240 5.773 -1.820 1.00 11.54 H new ATOM 756 N ALA A 611 15.803 1.820 -0.304 1.00 62.24 N ATOM 757 CA ALA A 611 15.636 0.890 0.805 1.00 62.20 C ATOM 758 C ALA A 611 16.781 -0.117 0.854 1.00 54.44 C ATOM 759 O ALA A 611 16.770 -1.119 0.141 1.00 23.32 O ATOM 760 CB ALA A 611 14.301 0.167 0.692 1.00 71.14 C ATOM 0 H ALA A 611 16.067 1.381 -1.186 1.00 62.24 H new ATOM 0 HA ALA A 611 15.650 1.463 1.732 1.00 62.20 H new ATOM 0 HB1 ALA A 611 14.190 -0.525 1.527 1.00 71.14 H new ATOM 0 HB2 ALA A 611 13.490 0.895 0.713 1.00 71.14 H new ATOM 0 HB3 ALA A 611 14.266 -0.388 -0.246 1.00 71.14 H new ATOM 766 N ASP A 612 17.768 0.159 1.700 1.00 32.12 N ATOM 767 CA ASP A 612 18.922 -0.722 1.843 1.00 25.15 C ATOM 768 C ASP A 612 19.095 -1.160 3.293 1.00 75.22 C ATOM 769 O ASP A 612 19.225 -2.349 3.583 1.00 2.03 O ATOM 770 CB ASP A 612 20.189 -0.021 1.353 1.00 31.23 C ATOM 771 CG ASP A 612 20.242 1.436 1.766 1.00 34.03 C ATOM 772 OD1 ASP A 612 19.679 2.280 1.038 1.00 14.24 O ATOM 773 OD2 ASP A 612 20.845 1.733 2.818 1.00 72.45 O ATOM 0 H ASP A 612 17.792 0.986 2.297 1.00 32.12 H new ATOM 0 HA ASP A 612 18.749 -1.609 1.234 1.00 25.15 H new ATOM 0 HB2 ASP A 612 21.063 -0.539 1.748 1.00 31.23 H new ATOM 0 HB3 ASP A 612 20.241 -0.090 0.266 1.00 31.23 H new ATOM 777 N HIS A 613 19.097 -0.190 4.202 1.00 72.21 N ATOM 778 CA HIS A 613 19.256 -0.475 5.624 1.00 3.00 C ATOM 779 C HIS A 613 18.262 0.332 6.454 1.00 53.31 C ATOM 780 O HIS A 613 18.507 0.621 7.626 1.00 15.11 O ATOM 781 CB HIS A 613 20.684 -0.163 6.072 1.00 74.45 C ATOM 782 CG HIS A 613 21.157 -1.021 7.205 1.00 24.13 C ATOM 783 ND1 HIS A 613 21.412 -2.370 7.072 1.00 70.21 N ATOM 784 CD2 HIS A 613 21.422 -0.715 8.496 1.00 71.44 C ATOM 785 CE1 HIS A 613 21.813 -2.856 8.233 1.00 23.31 C ATOM 786 NE2 HIS A 613 21.829 -1.872 9.114 1.00 42.35 N ATOM 0 H HIS A 613 18.990 0.800 3.980 1.00 72.21 H new ATOM 0 HA HIS A 613 19.058 -1.535 5.781 1.00 3.00 H new ATOM 0 HB2 HIS A 613 21.358 -0.290 5.225 1.00 74.45 H new ATOM 0 HB3 HIS A 613 20.742 0.884 6.371 1.00 74.45 H new ATOM 0 HD2 HIS A 613 21.330 0.258 8.955 1.00 71.44 H new ATOM 0 HE1 HIS A 613 22.082 -3.883 8.429 1.00 23.31 H new ATOM 0 HE2 HIS A 613 22.100 -1.957 10.094 1.00 42.35 H new ATOM 793 N ARG A 614 17.142 0.694 5.839 1.00 41.32 N ATOM 794 CA ARG A 614 16.112 1.470 6.520 1.00 72.05 C ATOM 795 C ARG A 614 15.048 0.554 7.117 1.00 50.44 C ATOM 796 O ARG A 614 14.854 -0.573 6.660 1.00 61.13 O ATOM 797 CB ARG A 614 15.463 2.459 5.550 1.00 53.12 C ATOM 798 CG ARG A 614 16.282 3.721 5.328 1.00 61.24 C ATOM 799 CD ARG A 614 16.110 4.705 6.474 1.00 73.51 C ATOM 800 NE ARG A 614 17.021 4.421 7.580 1.00 53.43 N ATOM 801 CZ ARG A 614 17.002 5.078 8.735 1.00 51.30 C ATOM 802 NH1 ARG A 614 16.123 6.051 8.934 1.00 23.23 N ATOM 803 NH2 ARG A 614 17.863 4.763 9.694 1.00 33.32 N ATOM 0 H ARG A 614 16.924 0.463 4.870 1.00 41.32 H new ATOM 0 HA ARG A 614 16.586 2.025 7.330 1.00 72.05 H new ATOM 0 HB2 ARG A 614 15.306 1.965 4.591 1.00 53.12 H new ATOM 0 HB3 ARG A 614 14.480 2.736 5.931 1.00 53.12 H new ATOM 0 HG2 ARG A 614 17.335 3.459 5.227 1.00 61.24 H new ATOM 0 HG3 ARG A 614 15.979 4.193 4.393 1.00 61.24 H new ATOM 0 HD2 ARG A 614 16.285 5.718 6.111 1.00 73.51 H new ATOM 0 HD3 ARG A 614 15.081 4.668 6.833 1.00 73.51 H new ATOM 0 HE ARG A 614 17.709 3.678 7.459 1.00 53.43 H new ATOM 0 HH11 ARG A 614 15.459 6.297 8.200 1.00 23.23 H new ATOM 0 HH12 ARG A 614 16.111 6.554 9.822 1.00 23.23 H new ATOM 0 HH21 ARG A 614 18.541 4.016 9.545 1.00 33.32 H new ATOM 0 HH22 ARG A 614 17.847 5.268 10.580 1.00 33.32 H new ATOM 814 N THR A 615 14.359 1.046 8.143 1.00 4.20 N ATOM 815 CA THR A 615 13.316 0.273 8.804 1.00 44.41 C ATOM 816 C THR A 615 12.053 0.211 7.952 1.00 32.52 C ATOM 817 O THR A 615 11.868 1.018 7.041 1.00 1.24 O ATOM 818 CB THR A 615 12.963 0.867 10.181 1.00 64.30 C ATOM 819 OG1 THR A 615 11.862 0.154 10.755 1.00 11.41 O ATOM 820 CG2 THR A 615 12.612 2.342 10.061 1.00 11.41 C ATOM 0 H THR A 615 14.505 1.977 8.534 1.00 4.20 H new ATOM 0 HA THR A 615 13.709 -0.734 8.941 1.00 44.41 H new ATOM 0 HB THR A 615 13.835 0.769 10.828 1.00 64.30 H new ATOM 0 HG1 THR A 615 11.645 0.537 11.631 1.00 11.41 H new ATOM 0 HG21 THR A 615 12.366 2.739 11.046 1.00 11.41 H new ATOM 0 HG22 THR A 615 13.463 2.886 9.652 1.00 11.41 H new ATOM 0 HG23 THR A 615 11.754 2.459 9.399 1.00 11.41 H new ATOM 828 N TYR A 616 11.188 -0.751 8.254 1.00 54.34 N ATOM 829 CA TYR A 616 9.943 -0.918 7.515 1.00 11.22 C ATOM 830 C TYR A 616 8.775 -0.281 8.261 1.00 62.22 C ATOM 831 O TYR A 616 7.619 -0.657 8.067 1.00 12.20 O ATOM 832 CB TYR A 616 9.661 -2.403 7.277 1.00 74.43 C ATOM 833 CG TYR A 616 9.754 -3.244 8.531 1.00 34.54 C ATOM 834 CD1 TYR A 616 8.713 -3.273 9.450 1.00 63.43 C ATOM 835 CD2 TYR A 616 10.883 -4.011 8.795 1.00 0.24 C ATOM 836 CE1 TYR A 616 8.794 -4.039 10.596 1.00 41.00 C ATOM 837 CE2 TYR A 616 10.972 -4.782 9.937 1.00 53.44 C ATOM 838 CZ TYR A 616 9.925 -4.793 10.835 1.00 55.34 C ATOM 839 OH TYR A 616 10.009 -5.558 11.975 1.00 45.03 O ATOM 0 H TYR A 616 11.326 -1.427 9.005 1.00 54.34 H new ATOM 0 HA TYR A 616 10.053 -0.417 6.553 1.00 11.22 H new ATOM 0 HB2 TYR A 616 8.664 -2.511 6.850 1.00 74.43 H new ATOM 0 HB3 TYR A 616 10.367 -2.785 6.540 1.00 74.43 H new ATOM 0 HD1 TYR A 616 7.825 -2.687 9.265 1.00 63.43 H new ATOM 0 HD2 TYR A 616 11.705 -4.004 8.094 1.00 0.24 H new ATOM 0 HE1 TYR A 616 7.977 -4.048 11.302 1.00 41.00 H new ATOM 0 HE2 TYR A 616 11.856 -5.373 10.126 1.00 53.44 H new ATOM 0 HH TYR A 616 10.869 -6.028 11.991 1.00 45.03 H new ATOM 848 N VAL A 617 9.086 0.688 9.117 1.00 31.33 N ATOM 849 CA VAL A 617 8.064 1.380 9.893 1.00 60.41 C ATOM 850 C VAL A 617 7.233 2.301 9.008 1.00 5.50 C ATOM 851 O VAL A 617 6.037 2.487 9.236 1.00 63.54 O ATOM 852 CB VAL A 617 8.688 2.206 11.033 1.00 12.45 C ATOM 853 CG1 VAL A 617 9.579 3.305 10.470 1.00 24.14 C ATOM 854 CG2 VAL A 617 7.602 2.793 11.921 1.00 72.33 C ATOM 0 H VAL A 617 10.038 1.011 9.290 1.00 31.33 H new ATOM 0 HA VAL A 617 7.419 0.613 10.322 1.00 60.41 H new ATOM 0 HB VAL A 617 9.306 1.545 11.641 1.00 12.45 H new ATOM 0 HG11 VAL A 617 10.011 3.879 11.290 1.00 24.14 H new ATOM 0 HG12 VAL A 617 10.378 2.858 9.879 1.00 24.14 H new ATOM 0 HG13 VAL A 617 8.986 3.966 9.838 1.00 24.14 H new ATOM 0 HG21 VAL A 617 8.061 3.374 12.721 1.00 72.33 H new ATOM 0 HG22 VAL A 617 6.957 3.440 11.327 1.00 72.33 H new ATOM 0 HG23 VAL A 617 7.009 1.986 12.352 1.00 72.33 H new ATOM 864 N ASP A 618 7.872 2.876 7.995 1.00 75.31 N ATOM 865 CA ASP A 618 7.192 3.778 7.074 1.00 45.50 C ATOM 866 C ASP A 618 6.074 3.053 6.330 1.00 72.31 C ATOM 867 O ASP A 618 4.935 3.521 6.290 1.00 53.13 O ATOM 868 CB ASP A 618 8.187 4.367 6.073 1.00 72.14 C ATOM 869 CG ASP A 618 8.342 5.867 6.225 1.00 51.53 C ATOM 870 OD1 ASP A 618 7.347 6.591 6.007 1.00 11.34 O ATOM 871 OD2 ASP A 618 9.456 6.319 6.563 1.00 12.33 O ATOM 0 H ASP A 618 8.861 2.733 7.791 1.00 75.31 H new ATOM 0 HA ASP A 618 6.753 4.588 7.657 1.00 45.50 H new ATOM 0 HB2 ASP A 618 9.158 3.889 6.206 1.00 72.14 H new ATOM 0 HB3 ASP A 618 7.856 4.140 5.060 1.00 72.14 H new ATOM 875 N LEU A 619 6.407 1.910 5.742 1.00 23.25 N ATOM 876 CA LEU A 619 5.432 1.119 4.998 1.00 51.40 C ATOM 877 C LEU A 619 4.395 0.510 5.937 1.00 23.34 C ATOM 878 O LEU A 619 3.284 0.180 5.523 1.00 55.43 O ATOM 879 CB LEU A 619 6.136 0.014 4.210 1.00 32.12 C ATOM 880 CG LEU A 619 6.473 -1.257 4.991 1.00 13.44 C ATOM 881 CD1 LEU A 619 5.361 -2.285 4.843 1.00 55.01 C ATOM 882 CD2 LEU A 619 7.801 -1.833 4.522 1.00 62.54 C ATOM 0 H LEU A 619 7.345 1.509 5.766 1.00 23.25 H new ATOM 0 HA LEU A 619 4.919 1.782 4.301 1.00 51.40 H new ATOM 0 HB2 LEU A 619 5.505 -0.260 3.364 1.00 32.12 H new ATOM 0 HB3 LEU A 619 7.061 0.420 3.800 1.00 32.12 H new ATOM 0 HG LEU A 619 6.563 -1.000 6.046 1.00 13.44 H new ATOM 0 HD11 LEU A 619 5.618 -3.183 5.405 1.00 55.01 H new ATOM 0 HD12 LEU A 619 4.429 -1.871 5.227 1.00 55.01 H new ATOM 0 HD13 LEU A 619 5.238 -2.539 3.790 1.00 55.01 H new ATOM 0 HD21 LEU A 619 8.026 -2.737 5.088 1.00 62.54 H new ATOM 0 HD22 LEU A 619 7.738 -2.075 3.461 1.00 62.54 H new ATOM 0 HD23 LEU A 619 8.592 -1.100 4.680 1.00 62.54 H new ATOM 893 N LYS A 620 4.766 0.362 7.204 1.00 34.02 N ATOM 894 CA LYS A 620 3.870 -0.204 8.204 1.00 44.21 C ATOM 895 C LYS A 620 2.701 0.736 8.483 1.00 72.51 C ATOM 896 O LYS A 620 1.565 0.296 8.653 1.00 5.21 O ATOM 897 CB LYS A 620 4.632 -0.488 9.501 1.00 4.34 C ATOM 898 CG LYS A 620 3.990 -1.564 10.360 1.00 0.33 C ATOM 899 CD LYS A 620 2.990 -0.974 11.339 1.00 2.44 C ATOM 900 CE LYS A 620 2.687 -1.938 12.476 1.00 5.22 C ATOM 901 NZ LYS A 620 3.518 -1.654 13.679 1.00 2.24 N ATOM 0 H LYS A 620 5.683 0.627 7.563 1.00 34.02 H new ATOM 0 HA LYS A 620 3.474 -1.140 7.811 1.00 44.21 H new ATOM 0 HB2 LYS A 620 5.650 -0.790 9.256 1.00 4.34 H new ATOM 0 HB3 LYS A 620 4.703 0.433 10.080 1.00 4.34 H new ATOM 0 HG2 LYS A 620 3.489 -2.290 9.720 1.00 0.33 H new ATOM 0 HG3 LYS A 620 4.763 -2.102 10.908 1.00 0.33 H new ATOM 0 HD2 LYS A 620 3.384 -0.042 11.746 1.00 2.44 H new ATOM 0 HD3 LYS A 620 2.067 -0.728 10.814 1.00 2.44 H new ATOM 0 HE2 LYS A 620 1.631 -1.869 12.739 1.00 5.22 H new ATOM 0 HE3 LYS A 620 2.867 -2.960 12.143 1.00 5.22 H new ATOM 0 HZ1 LYS A 620 3.282 -2.332 14.432 1.00 2.24 H new ATOM 0 HZ2 LYS A 620 4.525 -1.744 13.435 1.00 2.24 H new ATOM 0 HZ3 LYS A 620 3.328 -0.687 14.012 1.00 2.24 H new ATOM 911 N ASP A 621 2.990 2.033 8.528 1.00 23.22 N ATOM 912 CA ASP A 621 1.963 3.036 8.783 1.00 63.23 C ATOM 913 C ASP A 621 1.036 3.183 7.582 1.00 5.21 C ATOM 914 O ASP A 621 -0.188 3.150 7.720 1.00 74.30 O ATOM 915 CB ASP A 621 2.607 4.383 9.115 1.00 3.13 C ATOM 916 CG ASP A 621 1.617 5.368 9.705 1.00 32.12 C ATOM 917 OD1 ASP A 621 0.664 4.922 10.377 1.00 73.44 O ATOM 918 OD2 ASP A 621 1.796 6.586 9.494 1.00 32.31 O ATOM 0 H ASP A 621 3.926 2.413 8.391 1.00 23.22 H new ATOM 0 HA ASP A 621 1.371 2.705 9.636 1.00 63.23 H new ATOM 0 HB2 ASP A 621 3.424 4.228 9.819 1.00 3.13 H new ATOM 0 HB3 ASP A 621 3.042 4.807 8.210 1.00 3.13 H new ATOM 922 N LYS A 622 1.625 3.345 6.402 1.00 65.14 N ATOM 923 CA LYS A 622 0.852 3.497 5.175 1.00 34.54 C ATOM 924 C LYS A 622 -0.046 2.286 4.943 1.00 71.44 C ATOM 925 O LYS A 622 -1.099 2.395 4.316 1.00 21.05 O ATOM 926 CB LYS A 622 1.789 3.686 3.979 1.00 60.11 C ATOM 927 CG LYS A 622 1.066 4.036 2.690 1.00 12.32 C ATOM 928 CD LYS A 622 1.272 5.493 2.313 1.00 53.11 C ATOM 929 CE LYS A 622 2.713 5.766 1.907 1.00 24.31 C ATOM 930 NZ LYS A 622 2.934 5.529 0.454 1.00 0.23 N ATOM 0 H LYS A 622 2.636 3.374 6.269 1.00 65.14 H new ATOM 0 HA LYS A 622 0.221 4.380 5.280 1.00 34.54 H new ATOM 0 HB2 LYS A 622 2.505 4.475 4.210 1.00 60.11 H new ATOM 0 HB3 LYS A 622 2.361 2.771 3.828 1.00 60.11 H new ATOM 0 HG2 LYS A 622 1.427 3.396 1.884 1.00 12.32 H new ATOM 0 HG3 LYS A 622 0.001 3.836 2.803 1.00 12.32 H new ATOM 0 HD2 LYS A 622 0.606 5.755 1.491 1.00 53.11 H new ATOM 0 HD3 LYS A 622 1.004 6.129 3.156 1.00 53.11 H new ATOM 0 HE2 LYS A 622 2.970 6.797 2.150 1.00 24.31 H new ATOM 0 HE3 LYS A 622 3.380 5.127 2.485 1.00 24.31 H new ATOM 0 HZ1 LYS A 622 3.919 5.758 0.211 1.00 0.23 H new ATOM 0 HZ2 LYS A 622 2.746 4.530 0.233 1.00 0.23 H new ATOM 0 HZ3 LYS A 622 2.292 6.133 -0.098 1.00 0.23 H new ATOM 940 N TRP A 623 0.377 1.136 5.456 1.00 1.31 N ATOM 941 CA TRP A 623 -0.392 -0.095 5.306 1.00 31.52 C ATOM 942 C TRP A 623 -1.614 -0.088 6.217 1.00 10.01 C ATOM 943 O TRP A 623 -2.742 -0.275 5.760 1.00 43.51 O ATOM 944 CB TRP A 623 0.485 -1.309 5.618 1.00 15.12 C ATOM 945 CG TRP A 623 -0.267 -2.437 6.256 1.00 3.11 C ATOM 946 CD1 TRP A 623 -1.414 -3.021 5.797 1.00 35.20 C ATOM 947 CD2 TRP A 623 0.073 -3.116 7.470 1.00 15.41 C ATOM 948 NE1 TRP A 623 -1.807 -4.021 6.653 1.00 34.42 N ATOM 949 CE2 TRP A 623 -0.911 -4.100 7.687 1.00 20.23 C ATOM 950 CE3 TRP A 623 1.113 -2.988 8.394 1.00 32.45 C ATOM 951 CZ2 TRP A 623 -0.883 -4.949 8.789 1.00 61.32 C ATOM 952 CZ3 TRP A 623 1.140 -3.833 9.488 1.00 53.43 C ATOM 953 CH2 TRP A 623 0.147 -4.803 9.678 1.00 1.02 C ATOM 0 H TRP A 623 1.247 1.030 5.979 1.00 1.31 H new ATOM 0 HA TRP A 623 -0.733 -0.157 4.273 1.00 31.52 H new ATOM 0 HB2 TRP A 623 0.944 -1.664 4.695 1.00 15.12 H new ATOM 0 HB3 TRP A 623 1.296 -1.002 6.279 1.00 15.12 H new ATOM 0 HD1 TRP A 623 -1.935 -2.738 4.894 1.00 35.20 H new ATOM 0 HE1 TRP A 623 -2.632 -4.609 6.538 1.00 34.42 H new ATOM 0 HE3 TRP A 623 1.882 -2.242 8.256 1.00 32.45 H new ATOM 0 HZ2 TRP A 623 -1.648 -5.697 8.938 1.00 61.32 H new ATOM 0 HZ3 TRP A 623 1.940 -3.744 10.208 1.00 53.43 H new ATOM 0 HH2 TRP A 623 0.195 -5.448 10.543 1.00 1.02 H new ATOM 963 N LYS A 624 -1.384 0.129 7.507 1.00 54.30 N ATOM 964 CA LYS A 624 -2.467 0.162 8.483 1.00 12.10 C ATOM 965 C LYS A 624 -3.588 1.087 8.020 1.00 71.31 C ATOM 966 O LYS A 624 -4.769 0.774 8.175 1.00 44.11 O ATOM 967 CB LYS A 624 -1.940 0.623 9.844 1.00 22.44 C ATOM 968 CG LYS A 624 -2.672 0.003 11.021 1.00 5.14 C ATOM 969 CD LYS A 624 -3.832 0.872 11.478 1.00 14.21 C ATOM 970 CE LYS A 624 -3.370 1.962 12.433 1.00 74.02 C ATOM 971 NZ LYS A 624 -3.438 1.520 13.853 1.00 63.33 N ATOM 0 H LYS A 624 -0.456 0.285 7.902 1.00 54.30 H new ATOM 0 HA LYS A 624 -2.868 -0.847 8.578 1.00 12.10 H new ATOM 0 HB2 LYS A 624 -0.880 0.378 9.916 1.00 22.44 H new ATOM 0 HB3 LYS A 624 -2.021 1.708 9.907 1.00 22.44 H new ATOM 0 HG2 LYS A 624 -3.043 -0.983 10.741 1.00 5.14 H new ATOM 0 HG3 LYS A 624 -1.977 -0.141 11.848 1.00 5.14 H new ATOM 0 HD2 LYS A 624 -4.311 1.326 10.611 1.00 14.21 H new ATOM 0 HD3 LYS A 624 -4.582 0.251 11.968 1.00 14.21 H new ATOM 0 HE2 LYS A 624 -2.347 2.248 12.190 1.00 74.02 H new ATOM 0 HE3 LYS A 624 -3.989 2.849 12.299 1.00 74.02 H new ATOM 0 HZ1 LYS A 624 -3.115 2.291 14.472 1.00 63.33 H new ATOM 0 HZ2 LYS A 624 -4.419 1.271 14.093 1.00 63.33 H new ATOM 0 HZ3 LYS A 624 -2.827 0.689 13.987 1.00 63.33 H new ATOM 981 N THR A 625 -3.211 2.227 7.450 1.00 45.30 N ATOM 982 CA THR A 625 -4.186 3.197 6.964 1.00 73.23 C ATOM 983 C THR A 625 -4.813 2.736 5.654 1.00 53.40 C ATOM 984 O THR A 625 -6.006 2.938 5.420 1.00 52.32 O ATOM 985 CB THR A 625 -3.543 4.581 6.755 1.00 32.05 C ATOM 986 OG1 THR A 625 -4.525 5.511 6.286 1.00 3.30 O ATOM 987 CG2 THR A 625 -2.397 4.500 5.757 1.00 53.42 C ATOM 0 H THR A 625 -2.238 2.502 7.313 1.00 45.30 H new ATOM 0 HA THR A 625 -4.962 3.276 7.726 1.00 73.23 H new ATOM 0 HB THR A 625 -3.148 4.922 7.712 1.00 32.05 H new ATOM 0 HG1 THR A 625 -4.128 6.089 5.601 1.00 3.30 H new ATOM 0 HG21 THR A 625 -1.958 5.489 5.626 1.00 53.42 H new ATOM 0 HG22 THR A 625 -1.637 3.813 6.130 1.00 53.42 H new ATOM 0 HG23 THR A 625 -2.773 4.140 4.799 1.00 53.42 H new ATOM 995 N LEU A 626 -4.004 2.117 4.801 1.00 61.40 N ATOM 996 CA LEU A 626 -4.481 1.626 3.513 1.00 31.14 C ATOM 997 C LEU A 626 -5.652 0.666 3.696 1.00 13.33 C ATOM 998 O LEU A 626 -6.730 0.871 3.137 1.00 42.11 O ATOM 999 CB LEU A 626 -3.347 0.929 2.759 1.00 25.41 C ATOM 1000 CG LEU A 626 -2.898 1.593 1.457 1.00 42.33 C ATOM 1001 CD1 LEU A 626 -1.838 0.751 0.767 1.00 10.15 C ATOM 1002 CD2 LEU A 626 -4.088 1.819 0.536 1.00 22.20 C ATOM 0 H LEU A 626 -3.015 1.943 4.978 1.00 61.40 H new ATOM 0 HA LEU A 626 -4.824 2.481 2.930 1.00 31.14 H new ATOM 0 HB2 LEU A 626 -2.486 0.859 3.423 1.00 25.41 H new ATOM 0 HB3 LEU A 626 -3.660 -0.091 2.534 1.00 25.41 H new ATOM 0 HG LEU A 626 -2.462 2.563 1.697 1.00 42.33 H new ATOM 0 HD11 LEU A 626 -1.531 1.239 -0.158 1.00 10.15 H new ATOM 0 HD12 LEU A 626 -0.975 0.642 1.424 1.00 10.15 H new ATOM 0 HD13 LEU A 626 -2.247 -0.233 0.539 1.00 10.15 H new ATOM 0 HD21 LEU A 626 -3.750 2.292 -0.386 1.00 22.20 H new ATOM 0 HD22 LEU A 626 -4.554 0.862 0.303 1.00 22.20 H new ATOM 0 HD23 LEU A 626 -4.813 2.465 1.031 1.00 22.20 H new ATOM 1013 N VAL A 627 -5.435 -0.382 4.483 1.00 33.44 N ATOM 1014 CA VAL A 627 -6.472 -1.373 4.742 1.00 34.30 C ATOM 1015 C VAL A 627 -7.684 -0.737 5.414 1.00 12.00 C ATOM 1016 O VAL A 627 -8.806 -0.841 4.920 1.00 4.41 O ATOM 1017 CB VAL A 627 -5.947 -2.517 5.632 1.00 13.41 C ATOM 1018 CG1 VAL A 627 -6.947 -3.663 5.672 1.00 73.22 C ATOM 1019 CG2 VAL A 627 -4.592 -2.996 5.136 1.00 63.50 C ATOM 0 H VAL A 627 -4.549 -0.567 4.953 1.00 33.44 H new ATOM 0 HA VAL A 627 -6.768 -1.781 3.776 1.00 34.30 H new ATOM 0 HB VAL A 627 -5.824 -2.140 6.647 1.00 13.41 H new ATOM 0 HG11 VAL A 627 -6.560 -4.462 6.305 1.00 73.22 H new ATOM 0 HG12 VAL A 627 -7.894 -3.306 6.077 1.00 73.22 H new ATOM 0 HG13 VAL A 627 -7.105 -4.044 4.663 1.00 73.22 H new ATOM 0 HG21 VAL A 627 -4.235 -3.804 5.775 1.00 63.50 H new ATOM 0 HG22 VAL A 627 -4.687 -3.358 4.112 1.00 63.50 H new ATOM 0 HG23 VAL A 627 -3.881 -2.170 5.165 1.00 63.50 H new ATOM 1029 N HIS A 628 -7.449 -0.076 6.543 1.00 33.02 N ATOM 1030 CA HIS A 628 -8.521 0.579 7.283 1.00 51.32 C ATOM 1031 C HIS A 628 -9.298 1.535 6.381 1.00 73.31 C ATOM 1032 O HIS A 628 -10.486 1.778 6.594 1.00 11.22 O ATOM 1033 CB HIS A 628 -7.953 1.339 8.481 1.00 14.34 C ATOM 1034 CG HIS A 628 -7.510 0.448 9.600 1.00 40.23 C ATOM 1035 ND1 HIS A 628 -6.943 -0.791 9.396 1.00 61.21 N ATOM 1036 CD2 HIS A 628 -7.552 0.625 10.942 1.00 50.32 C ATOM 1037 CE1 HIS A 628 -6.657 -1.341 10.563 1.00 55.03 C ATOM 1038 NE2 HIS A 628 -7.016 -0.501 11.517 1.00 40.33 N ATOM 0 H HIS A 628 -6.525 0.020 6.965 1.00 33.02 H new ATOM 0 HA HIS A 628 -9.204 -0.191 7.642 1.00 51.32 H new ATOM 0 HB2 HIS A 628 -7.107 1.942 8.151 1.00 14.34 H new ATOM 0 HB3 HIS A 628 -8.709 2.029 8.855 1.00 14.34 H new ATOM 0 HD2 HIS A 628 -7.935 1.490 11.463 1.00 50.32 H new ATOM 0 HE1 HIS A 628 -6.207 -2.311 10.711 1.00 55.03 H new ATOM 0 HE2 HIS A 628 -6.912 -0.663 12.519 1.00 40.33 H new ATOM 1045 N THR A 629 -8.619 2.073 5.373 1.00 51.32 N ATOM 1046 CA THR A 629 -9.244 3.003 4.441 1.00 54.34 C ATOM 1047 C THR A 629 -10.067 2.262 3.394 1.00 35.35 C ATOM 1048 O THR A 629 -11.053 2.787 2.879 1.00 72.23 O ATOM 1049 CB THR A 629 -8.194 3.876 3.729 1.00 52.11 C ATOM 1050 OG1 THR A 629 -7.609 4.796 4.659 1.00 31.22 O ATOM 1051 CG2 THR A 629 -8.820 4.644 2.575 1.00 41.44 C ATOM 0 H THR A 629 -7.636 1.881 5.181 1.00 51.32 H new ATOM 0 HA THR A 629 -9.901 3.645 5.028 1.00 54.34 H new ATOM 0 HB THR A 629 -7.420 3.220 3.331 1.00 52.11 H new ATOM 0 HG1 THR A 629 -6.788 4.410 5.029 1.00 31.22 H new ATOM 0 HG21 THR A 629 -8.059 5.253 2.088 1.00 41.44 H new ATOM 0 HG22 THR A 629 -9.238 3.941 1.854 1.00 41.44 H new ATOM 0 HG23 THR A 629 -9.613 5.289 2.955 1.00 41.44 H new ATOM 1059 N ALA A 630 -9.654 1.037 3.082 1.00 11.11 N ATOM 1060 CA ALA A 630 -10.354 0.223 2.097 1.00 24.41 C ATOM 1061 C ALA A 630 -11.840 0.121 2.426 1.00 62.41 C ATOM 1062 O ALA A 630 -12.692 0.346 1.567 1.00 42.22 O ATOM 1063 CB ALA A 630 -9.733 -1.164 2.021 1.00 34.54 C ATOM 0 H ALA A 630 -8.838 0.587 3.498 1.00 11.11 H new ATOM 0 HA ALA A 630 -10.255 0.707 1.126 1.00 24.41 H new ATOM 0 HB1 ALA A 630 -10.266 -1.761 1.281 1.00 34.54 H new ATOM 0 HB2 ALA A 630 -8.686 -1.078 1.732 1.00 34.54 H new ATOM 0 HB3 ALA A 630 -9.802 -1.647 2.995 1.00 34.54 H new ATOM 1069 N SER A 631 -12.142 -0.222 3.675 1.00 3.13 N ATOM 1070 CA SER A 631 -13.527 -0.358 4.116 1.00 34.44 C ATOM 1071 C SER A 631 -13.596 -1.031 5.483 1.00 42.15 C ATOM 1072 O SER A 631 -14.093 -2.151 5.612 1.00 54.44 O ATOM 1073 CB SER A 631 -14.331 -1.166 3.095 1.00 63.33 C ATOM 1074 OG SER A 631 -15.085 -0.315 2.251 1.00 45.44 O ATOM 0 H SER A 631 -11.448 -0.411 4.398 1.00 3.13 H new ATOM 0 HA SER A 631 -13.958 0.640 4.199 1.00 34.44 H new ATOM 0 HB2 SER A 631 -13.655 -1.773 2.494 1.00 63.33 H new ATOM 0 HB3 SER A 631 -14.999 -1.853 3.615 1.00 63.33 H new ATOM 0 HG SER A 631 -14.478 0.204 1.683 1.00 45.44 H new ATOM 1079 N ILE A 632 -13.096 -0.339 6.501 1.00 60.52 N ATOM 1080 CA ILE A 632 -13.103 -0.867 7.860 1.00 60.10 C ATOM 1081 C ILE A 632 -13.701 0.138 8.838 1.00 3.11 C ATOM 1082 O ILE A 632 -14.834 -0.023 9.293 1.00 53.13 O ATOM 1083 CB ILE A 632 -11.683 -1.237 8.327 1.00 33.32 C ATOM 1084 CG1 ILE A 632 -11.209 -2.513 7.629 1.00 1.23 C ATOM 1085 CG2 ILE A 632 -11.651 -1.410 9.838 1.00 31.22 C ATOM 1086 CD1 ILE A 632 -10.881 -2.315 6.166 1.00 24.05 C ATOM 0 H ILE A 632 -12.681 0.588 6.411 1.00 60.52 H new ATOM 0 HA ILE A 632 -13.719 -1.766 7.845 1.00 60.10 H new ATOM 0 HB ILE A 632 -11.006 -0.426 8.059 1.00 33.32 H new ATOM 0 HG12 ILE A 632 -10.326 -2.892 8.143 1.00 1.23 H new ATOM 0 HG13 ILE A 632 -11.982 -3.276 7.720 1.00 1.23 H new ATOM 0 HG21 ILE A 632 -10.641 -1.671 10.153 1.00 31.22 H new ATOM 0 HG22 ILE A 632 -11.951 -0.478 10.317 1.00 31.22 H new ATOM 0 HG23 ILE A 632 -12.338 -2.205 10.128 1.00 31.22 H new ATOM 0 HD11 ILE A 632 -10.552 -3.261 5.736 1.00 24.05 H new ATOM 0 HD12 ILE A 632 -11.768 -1.965 5.638 1.00 24.05 H new ATOM 0 HD13 ILE A 632 -10.086 -1.576 6.068 1.00 24.05 H new ATOM 1097 N ALA A 633 -12.935 1.176 9.154 1.00 64.32 N ATOM 1098 CA ALA A 633 -13.391 2.211 10.076 1.00 23.44 C ATOM 1099 C ALA A 633 -13.815 3.467 9.323 1.00 4.34 C ATOM 1100 O ALA A 633 -13.240 3.829 8.296 1.00 40.01 O ATOM 1101 CB ALA A 633 -12.300 2.539 11.083 1.00 30.43 C ATOM 0 H ALA A 633 -11.995 1.324 8.786 1.00 64.32 H new ATOM 0 HA ALA A 633 -14.260 1.829 10.612 1.00 23.44 H new ATOM 0 HB1 ALA A 633 -12.654 3.313 11.764 1.00 30.43 H new ATOM 0 HB2 ALA A 633 -12.048 1.643 11.651 1.00 30.43 H new ATOM 0 HB3 ALA A 633 -11.415 2.897 10.557 1.00 30.43 H new ATOM 1107 N PRO A 634 -14.847 4.149 9.842 1.00 61.23 N ATOM 1108 CA PRO A 634 -15.370 5.376 9.235 1.00 42.01 C ATOM 1109 C PRO A 634 -14.402 6.547 9.367 1.00 43.32 C ATOM 1110 O PRO A 634 -14.125 7.246 8.393 1.00 21.13 O ATOM 1111 CB PRO A 634 -16.650 5.647 10.031 1.00 53.15 C ATOM 1112 CG PRO A 634 -16.423 4.987 11.348 1.00 5.31 C ATOM 1113 CD PRO A 634 -15.580 3.775 11.064 1.00 1.32 C ATOM 0 HA PRO A 634 -15.534 5.263 8.163 1.00 42.01 H new ATOM 0 HB2 PRO A 634 -16.824 6.717 10.149 1.00 53.15 H new ATOM 0 HB3 PRO A 634 -17.524 5.235 9.527 1.00 53.15 H new ATOM 0 HG2 PRO A 634 -15.917 5.661 12.040 1.00 5.31 H new ATOM 0 HG3 PRO A 634 -17.368 4.705 11.811 1.00 5.31 H new ATOM 0 HD2 PRO A 634 -14.902 3.555 11.888 1.00 1.32 H new ATOM 0 HD3 PRO A 634 -16.192 2.887 10.909 1.00 1.32 H new ATOM 1118 N GLN A 635 -13.892 6.754 10.577 1.00 2.34 N ATOM 1119 CA GLN A 635 -12.955 7.842 10.834 1.00 3.13 C ATOM 1120 C GLN A 635 -11.582 7.525 10.252 1.00 74.35 C ATOM 1121 O GLN A 635 -10.730 8.405 10.135 1.00 13.13 O ATOM 1122 CB GLN A 635 -12.840 8.098 12.337 1.00 22.10 C ATOM 1123 CG GLN A 635 -12.227 6.939 13.107 1.00 32.31 C ATOM 1124 CD GLN A 635 -11.789 7.332 14.504 1.00 30.03 C ATOM 1125 OE1 GLN A 635 -10.884 8.149 14.677 1.00 21.42 O ATOM 1126 NE2 GLN A 635 -12.431 6.752 15.511 1.00 12.11 N ATOM 0 H GLN A 635 -14.111 6.184 11.394 1.00 2.34 H new ATOM 0 HA GLN A 635 -13.336 8.740 10.348 1.00 3.13 H new ATOM 0 HB2 GLN A 635 -12.237 8.991 12.500 1.00 22.10 H new ATOM 0 HB3 GLN A 635 -13.832 8.306 12.739 1.00 22.10 H new ATOM 0 HG2 GLN A 635 -12.952 6.128 13.173 1.00 32.31 H new ATOM 0 HG3 GLN A 635 -11.368 6.555 12.556 1.00 32.31 H new ATOM 0 HE21 GLN A 635 -13.175 6.080 15.322 1.00 12.11 H new ATOM 0 HE22 GLN A 635 -12.180 6.978 16.473 1.00 12.11 H new ATOM 1133 N GLN A 636 -11.373 6.263 9.893 1.00 0.15 N ATOM 1134 CA GLN A 636 -10.101 5.830 9.325 1.00 42.32 C ATOM 1135 C GLN A 636 -10.030 6.159 7.837 1.00 62.42 C ATOM 1136 O GLN A 636 -9.032 5.873 7.176 1.00 34.43 O ATOM 1137 CB GLN A 636 -9.907 4.328 9.538 1.00 4.15 C ATOM 1138 CG GLN A 636 -9.444 3.967 10.940 1.00 52.15 C ATOM 1139 CD GLN A 636 -8.160 4.673 11.329 1.00 22.43 C ATOM 1140 OE1 GLN A 636 -8.183 5.795 11.833 1.00 51.54 O ATOM 1141 NE2 GLN A 636 -7.030 4.016 11.097 1.00 71.41 N ATOM 0 H GLN A 636 -12.068 5.522 9.985 1.00 0.15 H new ATOM 0 HA GLN A 636 -9.302 6.367 9.836 1.00 42.32 H new ATOM 0 HB2 GLN A 636 -10.847 3.816 9.332 1.00 4.15 H new ATOM 0 HB3 GLN A 636 -9.178 3.958 8.817 1.00 4.15 H new ATOM 0 HG2 GLN A 636 -10.226 4.223 11.654 1.00 52.15 H new ATOM 0 HG3 GLN A 636 -9.295 2.889 11.003 1.00 52.15 H new ATOM 0 HE21 GLN A 636 -7.057 3.087 10.677 1.00 71.41 H new ATOM 0 HE22 GLN A 636 -6.135 4.440 11.339 1.00 71.41 H new ATOM 1148 N ARG A 637 -11.095 6.759 7.317 1.00 32.01 N ATOM 1149 CA ARG A 637 -11.153 7.125 5.907 1.00 45.03 C ATOM 1150 C ARG A 637 -10.288 8.350 5.626 1.00 31.31 C ATOM 1151 O ARG A 637 -10.569 9.445 6.113 1.00 33.33 O ATOM 1152 CB ARG A 637 -12.598 7.402 5.489 1.00 44.43 C ATOM 1153 CG ARG A 637 -12.896 7.040 4.044 1.00 13.23 C ATOM 1154 CD ARG A 637 -14.000 7.911 3.466 1.00 13.20 C ATOM 1155 NE ARG A 637 -15.033 7.119 2.805 1.00 4.12 N ATOM 1156 CZ ARG A 637 -15.898 6.349 3.456 1.00 64.33 C ATOM 1157 NH1 ARG A 637 -15.854 6.268 4.780 1.00 14.33 N ATOM 1158 NH2 ARG A 637 -16.810 5.657 2.784 1.00 62.23 N ATOM 0 H ARG A 637 -11.930 7.002 7.851 1.00 32.01 H new ATOM 0 HA ARG A 637 -10.767 6.288 5.325 1.00 45.03 H new ATOM 0 HB2 ARG A 637 -13.269 6.842 6.140 1.00 44.43 H new ATOM 0 HB3 ARG A 637 -12.815 8.459 5.641 1.00 44.43 H new ATOM 0 HG2 ARG A 637 -11.992 7.153 3.446 1.00 13.23 H new ATOM 0 HG3 ARG A 637 -13.189 5.992 3.984 1.00 13.23 H new ATOM 0 HD2 ARG A 637 -14.451 8.501 4.264 1.00 13.20 H new ATOM 0 HD3 ARG A 637 -13.571 8.614 2.753 1.00 13.20 H new ATOM 0 HE ARG A 637 -15.094 7.159 1.788 1.00 4.12 H new ATOM 0 HH11 ARG A 637 -15.155 6.798 5.300 1.00 14.33 H new ATOM 0 HH12 ARG A 637 -16.519 5.676 5.277 1.00 14.33 H new ATOM 0 HH21 ARG A 637 -16.847 5.716 1.766 1.00 62.23 H new ATOM 0 HH22 ARG A 637 -17.473 5.066 3.285 1.00 62.23 H new ATOM 1169 N ARG A 638 -9.235 8.155 4.840 1.00 33.21 N ATOM 1170 CA ARG A 638 -8.326 9.243 4.496 1.00 51.32 C ATOM 1171 C ARG A 638 -9.090 10.417 3.891 1.00 15.43 C ATOM 1172 O ARG A 638 -9.967 10.232 3.048 1.00 30.04 O ATOM 1173 CB ARG A 638 -7.259 8.754 3.516 1.00 13.00 C ATOM 1174 CG ARG A 638 -6.065 8.099 4.192 1.00 22.12 C ATOM 1175 CD ARG A 638 -4.903 9.070 4.334 1.00 0.34 C ATOM 1176 NE ARG A 638 -5.144 10.062 5.378 1.00 1.25 N ATOM 1177 CZ ARG A 638 -5.158 9.776 6.675 1.00 12.02 C ATOM 1178 NH1 ARG A 638 -4.947 8.533 7.085 1.00 12.10 N ATOM 1179 NH2 ARG A 638 -5.384 10.734 7.564 1.00 61.14 N ATOM 0 H ARG A 638 -8.990 7.254 4.429 1.00 33.21 H new ATOM 0 HA ARG A 638 -7.840 9.581 5.411 1.00 51.32 H new ATOM 0 HB2 ARG A 638 -7.711 8.042 2.826 1.00 13.00 H new ATOM 0 HB3 ARG A 638 -6.911 9.598 2.920 1.00 13.00 H new ATOM 0 HG2 ARG A 638 -6.358 7.734 5.176 1.00 22.12 H new ATOM 0 HG3 ARG A 638 -5.748 7.232 3.612 1.00 22.12 H new ATOM 0 HD2 ARG A 638 -3.993 8.516 4.564 1.00 0.34 H new ATOM 0 HD3 ARG A 638 -4.736 9.577 3.384 1.00 0.34 H new ATOM 0 HE ARG A 638 -5.311 11.028 5.096 1.00 1.25 H new ATOM 0 HH11 ARG A 638 -4.773 7.794 6.404 1.00 12.10 H new ATOM 0 HH12 ARG A 638 -4.958 8.316 8.082 1.00 12.10 H new ATOM 0 HH21 ARG A 638 -5.547 11.691 7.252 1.00 61.14 H new ATOM 0 HH22 ARG A 638 -5.395 10.513 8.560 1.00 61.14 H new ATOM 1190 N GLY A 639 -8.749 11.627 4.327 1.00 5.13 N ATOM 1191 CA GLY A 639 -9.412 12.812 3.817 1.00 4.41 C ATOM 1192 C GLY A 639 -9.416 12.869 2.302 1.00 34.20 C ATOM 1193 O GLY A 639 -10.476 12.862 1.677 1.00 51.54 O ATOM 0 H GLY A 639 -8.026 11.806 5.024 1.00 5.13 H new ATOM 0 HA2 GLY A 639 -10.439 12.834 4.181 1.00 4.41 H new ATOM 0 HA3 GLY A 639 -8.915 13.699 4.209 1.00 4.41 H new ATOM 1197 N GLU A 640 -8.227 12.926 1.711 1.00 13.24 N ATOM 1198 CA GLU A 640 -8.098 12.987 0.259 1.00 63.54 C ATOM 1199 C GLU A 640 -8.780 11.791 -0.398 1.00 44.51 C ATOM 1200 O GLU A 640 -9.039 10.767 0.235 1.00 33.45 O ATOM 1201 CB GLU A 640 -6.622 13.030 -0.142 1.00 31.11 C ATOM 1202 CG GLU A 640 -6.073 14.439 -0.294 1.00 2.33 C ATOM 1203 CD GLU A 640 -5.858 15.128 1.039 1.00 34.00 C ATOM 1204 OE1 GLU A 640 -5.936 14.444 2.080 1.00 50.23 O ATOM 1205 OE2 GLU A 640 -5.610 16.352 1.040 1.00 52.11 O ATOM 0 H GLU A 640 -7.340 12.931 2.214 1.00 13.24 H new ATOM 0 HA GLU A 640 -8.588 13.897 -0.086 1.00 63.54 H new ATOM 0 HB2 GLU A 640 -6.035 12.499 0.608 1.00 31.11 H new ATOM 0 HB3 GLU A 640 -6.494 12.496 -1.084 1.00 31.11 H new ATOM 0 HG2 GLU A 640 -5.128 14.400 -0.835 1.00 2.33 H new ATOM 0 HG3 GLU A 640 -6.762 15.030 -0.897 1.00 2.33 H new ATOM 1210 N PRO A 641 -9.082 11.923 -1.698 1.00 54.31 N ATOM 1211 CA PRO A 641 -9.738 10.865 -2.471 1.00 64.13 C ATOM 1212 C PRO A 641 -8.826 9.665 -2.703 1.00 55.41 C ATOM 1213 O PRO A 641 -7.750 9.796 -3.287 1.00 71.33 O ATOM 1214 CB PRO A 641 -10.072 11.548 -3.799 1.00 54.05 C ATOM 1215 CG PRO A 641 -9.076 12.649 -3.918 1.00 72.14 C ATOM 1216 CD PRO A 641 -8.804 13.117 -2.514 1.00 23.34 C ATOM 0 HA PRO A 641 -10.609 10.464 -1.953 1.00 64.13 H new ATOM 0 HB2 PRO A 641 -9.994 10.851 -4.634 1.00 54.05 H new ATOM 0 HB3 PRO A 641 -11.091 11.934 -3.801 1.00 54.05 H new ATOM 0 HG2 PRO A 641 -8.162 12.298 -4.396 1.00 72.14 H new ATOM 0 HG3 PRO A 641 -9.465 13.462 -4.532 1.00 72.14 H new ATOM 0 HD2 PRO A 641 -7.774 13.454 -2.395 1.00 23.34 H new ATOM 0 HD3 PRO A 641 -9.447 13.952 -2.237 1.00 23.34 H new ATOM 1221 N VAL A 642 -9.262 8.497 -2.244 1.00 45.54 N ATOM 1222 CA VAL A 642 -8.485 7.274 -2.404 1.00 31.11 C ATOM 1223 C VAL A 642 -9.032 6.420 -3.543 1.00 13.12 C ATOM 1224 O VAL A 642 -10.234 6.180 -3.650 1.00 53.20 O ATOM 1225 CB VAL A 642 -8.479 6.440 -1.109 1.00 20.20 C ATOM 1226 CG1 VAL A 642 -7.389 5.379 -1.163 1.00 43.43 C ATOM 1227 CG2 VAL A 642 -8.299 7.340 0.104 1.00 32.31 C ATOM 0 H VAL A 642 -10.150 8.372 -1.758 1.00 45.54 H new ATOM 0 HA VAL A 642 -7.464 7.576 -2.638 1.00 31.11 H new ATOM 0 HB VAL A 642 -9.441 5.935 -1.018 1.00 20.20 H new ATOM 0 HG11 VAL A 642 -7.399 4.799 -0.240 1.00 43.43 H new ATOM 0 HG12 VAL A 642 -7.568 4.716 -2.010 1.00 43.43 H new ATOM 0 HG13 VAL A 642 -6.418 5.861 -1.278 1.00 43.43 H new ATOM 0 HG21 VAL A 642 -8.297 6.734 1.010 1.00 32.31 H new ATOM 0 HG22 VAL A 642 -7.352 7.875 0.023 1.00 32.31 H new ATOM 0 HG23 VAL A 642 -9.118 8.058 0.149 1.00 32.31 H new ATOM 1237 N PRO A 643 -8.128 5.949 -4.415 1.00 1.24 N ATOM 1238 CA PRO A 643 -8.496 5.114 -5.562 1.00 64.21 C ATOM 1239 C PRO A 643 -8.960 3.723 -5.141 1.00 74.05 C ATOM 1240 O PRO A 643 -8.276 3.034 -4.385 1.00 10.24 O ATOM 1241 CB PRO A 643 -7.197 5.023 -6.366 1.00 34.44 C ATOM 1242 CG PRO A 643 -6.115 5.240 -5.364 1.00 72.10 C ATOM 1243 CD PRO A 643 -6.678 6.195 -4.349 1.00 61.02 C ATOM 0 HA PRO A 643 -9.331 5.535 -6.122 1.00 64.21 H new ATOM 0 HB2 PRO A 643 -7.099 4.052 -6.851 1.00 34.44 H new ATOM 0 HB3 PRO A 643 -7.165 5.777 -7.153 1.00 34.44 H new ATOM 0 HG2 PRO A 643 -5.822 4.300 -4.896 1.00 72.10 H new ATOM 0 HG3 PRO A 643 -5.223 5.652 -5.836 1.00 72.10 H new ATOM 0 HD2 PRO A 643 -6.283 6.001 -3.352 1.00 61.02 H new ATOM 0 HD3 PRO A 643 -6.435 7.229 -4.592 1.00 61.02 H new ATOM 1248 N GLN A 644 -10.125 3.319 -5.635 1.00 20.23 N ATOM 1249 CA GLN A 644 -10.680 2.010 -5.310 1.00 60.25 C ATOM 1250 C GLN A 644 -9.794 0.893 -5.851 1.00 32.32 C ATOM 1251 O GLN A 644 -9.827 -0.235 -5.356 1.00 15.43 O ATOM 1252 CB GLN A 644 -12.094 1.876 -5.877 1.00 31.04 C ATOM 1253 CG GLN A 644 -12.919 0.790 -5.205 1.00 73.12 C ATOM 1254 CD GLN A 644 -14.041 0.280 -6.087 1.00 41.15 C ATOM 1255 OE1 GLN A 644 -13.806 -0.205 -7.194 1.00 51.34 O ATOM 1256 NE2 GLN A 644 -15.272 0.388 -5.600 1.00 43.51 N ATOM 0 H GLN A 644 -10.703 3.879 -6.262 1.00 20.23 H new ATOM 0 HA GLN A 644 -10.722 1.921 -4.224 1.00 60.25 H new ATOM 0 HB2 GLN A 644 -12.610 2.830 -5.772 1.00 31.04 H new ATOM 0 HB3 GLN A 644 -12.030 1.664 -6.944 1.00 31.04 H new ATOM 0 HG2 GLN A 644 -12.268 -0.041 -4.935 1.00 73.12 H new ATOM 0 HG3 GLN A 644 -13.339 1.180 -4.278 1.00 73.12 H new ATOM 0 HE21 GLN A 644 -15.421 0.797 -4.677 1.00 43.51 H new ATOM 0 HE22 GLN A 644 -16.068 0.062 -6.149 1.00 43.51 H new ATOM 1263 N ASP A 645 -9.003 1.214 -6.870 1.00 24.20 N ATOM 1264 CA ASP A 645 -8.107 0.237 -7.478 1.00 61.10 C ATOM 1265 C ASP A 645 -7.123 -0.313 -6.450 1.00 25.34 C ATOM 1266 O ASP A 645 -6.903 -1.523 -6.372 1.00 54.23 O ATOM 1267 CB ASP A 645 -7.345 0.870 -8.644 1.00 63.43 C ATOM 1268 CG ASP A 645 -6.498 -0.137 -9.397 1.00 65.40 C ATOM 1269 OD1 ASP A 645 -7.075 -1.083 -9.975 1.00 53.41 O ATOM 1270 OD2 ASP A 645 -5.260 0.017 -9.408 1.00 74.54 O ATOM 0 H ASP A 645 -8.964 2.142 -7.292 1.00 24.20 H new ATOM 0 HA ASP A 645 -8.711 -0.589 -7.853 1.00 61.10 H new ATOM 0 HB2 ASP A 645 -8.055 1.329 -9.332 1.00 63.43 H new ATOM 0 HB3 ASP A 645 -6.706 1.668 -8.266 1.00 63.43 H new ATOM 1274 N LEU A 646 -6.535 0.582 -5.664 1.00 23.33 N ATOM 1275 CA LEU A 646 -5.573 0.186 -4.642 1.00 61.54 C ATOM 1276 C LEU A 646 -6.276 -0.484 -3.463 1.00 14.34 C ATOM 1277 O LEU A 646 -5.919 -1.593 -3.064 1.00 2.11 O ATOM 1278 CB LEU A 646 -4.786 1.404 -4.154 1.00 42.22 C ATOM 1279 CG LEU A 646 -4.172 2.285 -5.243 1.00 22.53 C ATOM 1280 CD1 LEU A 646 -3.306 3.371 -4.625 1.00 11.01 C ATOM 1281 CD2 LEU A 646 -3.361 1.443 -6.217 1.00 61.33 C ATOM 0 H LEU A 646 -6.707 1.586 -5.715 1.00 23.33 H new ATOM 0 HA LEU A 646 -4.883 -0.531 -5.087 1.00 61.54 H new ATOM 0 HB2 LEU A 646 -5.449 2.020 -3.546 1.00 42.22 H new ATOM 0 HB3 LEU A 646 -3.985 1.057 -3.501 1.00 42.22 H new ATOM 0 HG LEU A 646 -4.981 2.764 -5.795 1.00 22.53 H new ATOM 0 HD11 LEU A 646 -2.877 3.988 -5.415 1.00 11.01 H new ATOM 0 HD12 LEU A 646 -3.915 3.993 -3.969 1.00 11.01 H new ATOM 0 HD13 LEU A 646 -2.504 2.912 -4.048 1.00 11.01 H new ATOM 0 HD21 LEU A 646 -2.932 2.087 -6.985 1.00 61.33 H new ATOM 0 HD22 LEU A 646 -2.560 0.935 -5.680 1.00 61.33 H new ATOM 0 HD23 LEU A 646 -4.010 0.703 -6.685 1.00 61.33 H new ATOM 1292 N LEU A 647 -7.276 0.196 -2.915 1.00 64.53 N ATOM 1293 CA LEU A 647 -8.031 -0.334 -1.784 1.00 14.14 C ATOM 1294 C LEU A 647 -8.562 -1.731 -2.091 1.00 42.12 C ATOM 1295 O LEU A 647 -8.354 -2.668 -1.321 1.00 72.21 O ATOM 1296 CB LEU A 647 -9.191 0.601 -1.437 1.00 32.44 C ATOM 1297 CG LEU A 647 -8.805 1.979 -0.902 1.00 55.35 C ATOM 1298 CD1 LEU A 647 -10.039 2.738 -0.439 1.00 3.12 C ATOM 1299 CD2 LEU A 647 -7.801 1.847 0.235 1.00 54.33 C ATOM 0 H LEU A 647 -7.583 1.115 -3.234 1.00 64.53 H new ATOM 0 HA LEU A 647 -7.359 -0.401 -0.929 1.00 14.14 H new ATOM 0 HB2 LEU A 647 -9.801 0.738 -2.330 1.00 32.44 H new ATOM 0 HB3 LEU A 647 -9.819 0.108 -0.695 1.00 32.44 H new ATOM 0 HG LEU A 647 -8.339 2.543 -1.710 1.00 55.35 H new ATOM 0 HD11 LEU A 647 -9.744 3.717 -0.061 1.00 3.12 H new ATOM 0 HD12 LEU A 647 -10.724 2.864 -1.277 1.00 3.12 H new ATOM 0 HD13 LEU A 647 -10.535 2.178 0.354 1.00 3.12 H new ATOM 0 HD21 LEU A 647 -7.537 2.838 0.604 1.00 54.33 H new ATOM 0 HD22 LEU A 647 -8.242 1.264 1.044 1.00 54.33 H new ATOM 0 HD23 LEU A 647 -6.904 1.344 -0.128 1.00 54.33 H new ATOM 1310 N ASP A 648 -9.248 -1.862 -3.221 1.00 64.23 N ATOM 1311 CA ASP A 648 -9.806 -3.145 -3.631 1.00 13.31 C ATOM 1312 C ASP A 648 -8.718 -4.211 -3.715 1.00 55.35 C ATOM 1313 O ASP A 648 -8.922 -5.355 -3.311 1.00 4.45 O ATOM 1314 CB ASP A 648 -10.510 -3.010 -4.983 1.00 23.21 C ATOM 1315 CG ASP A 648 -11.200 -4.292 -5.407 1.00 41.54 C ATOM 1316 OD1 ASP A 648 -11.564 -5.090 -4.519 1.00 4.12 O ATOM 1317 OD2 ASP A 648 -11.374 -4.496 -6.627 1.00 24.11 O ATOM 0 H ASP A 648 -9.431 -1.096 -3.869 1.00 64.23 H new ATOM 0 HA ASP A 648 -10.533 -3.453 -2.880 1.00 13.31 H new ATOM 0 HB2 ASP A 648 -11.244 -2.206 -4.928 1.00 23.21 H new ATOM 0 HB3 ASP A 648 -9.781 -2.725 -5.742 1.00 23.21 H new ATOM 1321 N ARG A 649 -7.560 -3.825 -4.243 1.00 72.54 N ATOM 1322 CA ARG A 649 -6.440 -4.748 -4.381 1.00 13.14 C ATOM 1323 C ARG A 649 -5.893 -5.149 -3.014 1.00 30.33 C ATOM 1324 O ARG A 649 -5.476 -6.290 -2.811 1.00 41.24 O ATOM 1325 CB ARG A 649 -5.328 -4.112 -5.220 1.00 4.22 C ATOM 1326 CG ARG A 649 -5.623 -4.101 -6.712 1.00 63.25 C ATOM 1327 CD ARG A 649 -5.345 -5.456 -7.344 1.00 43.22 C ATOM 1328 NE ARG A 649 -6.522 -6.322 -7.321 1.00 40.44 N ATOM 1329 CZ ARG A 649 -6.550 -7.537 -7.856 1.00 5.42 C ATOM 1330 NH1 ARG A 649 -5.474 -8.028 -8.453 1.00 74.21 N ATOM 1331 NH2 ARG A 649 -7.658 -8.264 -7.794 1.00 10.50 N ATOM 0 H ARG A 649 -7.374 -2.881 -4.581 1.00 72.54 H new ATOM 0 HA ARG A 649 -6.801 -5.644 -4.886 1.00 13.14 H new ATOM 0 HB2 ARG A 649 -5.169 -3.088 -4.882 1.00 4.22 H new ATOM 0 HB3 ARG A 649 -4.398 -4.653 -5.046 1.00 4.22 H new ATOM 0 HG2 ARG A 649 -6.666 -3.829 -6.876 1.00 63.25 H new ATOM 0 HG3 ARG A 649 -5.014 -3.339 -7.199 1.00 63.25 H new ATOM 0 HD2 ARG A 649 -5.018 -5.315 -8.374 1.00 43.22 H new ATOM 0 HD3 ARG A 649 -4.526 -5.942 -6.814 1.00 43.22 H new ATOM 0 HE ARG A 649 -7.368 -5.974 -6.869 1.00 40.44 H new ATOM 0 HH11 ARG A 649 -4.620 -7.472 -8.503 1.00 74.21 H new ATOM 0 HH12 ARG A 649 -5.499 -8.962 -8.863 1.00 74.21 H new ATOM 0 HH21 ARG A 649 -8.489 -7.890 -7.335 1.00 10.50 H new ATOM 0 HH22 ARG A 649 -7.679 -9.197 -8.205 1.00 10.50 H new ATOM 1342 N VAL A 650 -5.898 -4.203 -2.081 1.00 64.03 N ATOM 1343 CA VAL A 650 -5.403 -4.458 -0.733 1.00 44.25 C ATOM 1344 C VAL A 650 -6.268 -5.489 -0.015 1.00 2.04 C ATOM 1345 O VAL A 650 -5.769 -6.507 0.466 1.00 73.11 O ATOM 1346 CB VAL A 650 -5.364 -3.165 0.104 1.00 65.30 C ATOM 1347 CG1 VAL A 650 -5.229 -3.491 1.584 1.00 25.25 C ATOM 1348 CG2 VAL A 650 -4.228 -2.266 -0.358 1.00 50.42 C ATOM 0 H VAL A 650 -6.239 -3.254 -2.233 1.00 64.03 H new ATOM 0 HA VAL A 650 -4.390 -4.847 -0.836 1.00 44.25 H new ATOM 0 HB VAL A 650 -6.302 -2.630 -0.041 1.00 65.30 H new ATOM 0 HG11 VAL A 650 -5.203 -2.566 2.159 1.00 25.25 H new ATOM 0 HG12 VAL A 650 -6.080 -4.093 1.903 1.00 25.25 H new ATOM 0 HG13 VAL A 650 -4.307 -4.048 1.751 1.00 25.25 H new ATOM 0 HG21 VAL A 650 -4.215 -1.357 0.244 1.00 50.42 H new ATOM 0 HG22 VAL A 650 -3.279 -2.790 -0.244 1.00 50.42 H new ATOM 0 HG23 VAL A 650 -4.374 -2.005 -1.406 1.00 50.42 H new ATOM 1358 N LEU A 651 -7.567 -5.219 0.052 1.00 34.02 N ATOM 1359 CA LEU A 651 -8.503 -6.124 0.710 1.00 41.45 C ATOM 1360 C LEU A 651 -8.545 -7.474 0.002 1.00 2.25 C ATOM 1361 O LEU A 651 -8.893 -8.491 0.601 1.00 75.34 O ATOM 1362 CB LEU A 651 -9.903 -5.507 0.740 1.00 64.50 C ATOM 1363 CG LEU A 651 -10.156 -4.470 1.835 1.00 71.21 C ATOM 1364 CD1 LEU A 651 -11.503 -3.794 1.630 1.00 34.54 C ATOM 1365 CD2 LEU A 651 -10.087 -5.118 3.210 1.00 73.24 C ATOM 0 H LEU A 651 -7.996 -4.381 -0.341 1.00 34.02 H new ATOM 0 HA LEU A 651 -8.160 -6.282 1.732 1.00 41.45 H new ATOM 0 HB2 LEU A 651 -10.093 -5.040 -0.226 1.00 64.50 H new ATOM 0 HB3 LEU A 651 -10.630 -6.311 0.854 1.00 64.50 H new ATOM 0 HG LEU A 651 -9.378 -3.709 1.774 1.00 71.21 H new ATOM 0 HD11 LEU A 651 -11.665 -3.059 2.419 1.00 34.54 H new ATOM 0 HD12 LEU A 651 -11.516 -3.295 0.661 1.00 34.54 H new ATOM 0 HD13 LEU A 651 -12.295 -4.543 1.663 1.00 34.54 H new ATOM 0 HD21 LEU A 651 -10.269 -4.365 3.977 1.00 73.24 H new ATOM 0 HD22 LEU A 651 -10.843 -5.900 3.282 1.00 73.24 H new ATOM 0 HD23 LEU A 651 -9.099 -5.554 3.358 1.00 73.24 H new ATOM 1376 N ALA A 652 -8.187 -7.476 -1.278 1.00 1.32 N ATOM 1377 CA ALA A 652 -8.180 -8.702 -2.068 1.00 53.34 C ATOM 1378 C ALA A 652 -7.079 -9.648 -1.600 1.00 11.15 C ATOM 1379 O ALA A 652 -7.334 -10.818 -1.314 1.00 72.23 O ATOM 1380 CB ALA A 652 -8.009 -8.377 -3.544 1.00 22.32 C ATOM 0 H ALA A 652 -7.898 -6.643 -1.790 1.00 1.32 H new ATOM 0 HA ALA A 652 -9.138 -9.203 -1.927 1.00 53.34 H new ATOM 0 HB1 ALA A 652 -8.005 -9.301 -4.122 1.00 22.32 H new ATOM 0 HB2 ALA A 652 -8.833 -7.745 -3.875 1.00 22.32 H new ATOM 0 HB3 ALA A 652 -7.066 -7.852 -3.694 1.00 22.32 H new ATOM 1386 N ALA A 653 -5.855 -9.135 -1.528 1.00 23.34 N ATOM 1387 CA ALA A 653 -4.716 -9.935 -1.095 1.00 24.14 C ATOM 1388 C ALA A 653 -4.725 -10.129 0.417 1.00 2.05 C ATOM 1389 O ALA A 653 -4.605 -11.252 0.909 1.00 34.22 O ATOM 1390 CB ALA A 653 -3.415 -9.283 -1.538 1.00 33.11 C ATOM 0 H ALA A 653 -5.627 -8.169 -1.764 1.00 23.34 H new ATOM 0 HA ALA A 653 -4.795 -10.917 -1.561 1.00 24.14 H new ATOM 0 HB1 ALA A 653 -2.573 -9.891 -1.208 1.00 33.11 H new ATOM 0 HB2 ALA A 653 -3.400 -9.202 -2.625 1.00 33.11 H new ATOM 0 HB3 ALA A 653 -3.339 -8.288 -1.099 1.00 33.11 H new ATOM 1396 N HIS A 654 -4.868 -9.029 1.150 1.00 22.13 N ATOM 1397 CA HIS A 654 -4.892 -9.080 2.607 1.00 62.22 C ATOM 1398 C HIS A 654 -5.926 -10.089 3.099 1.00 72.21 C ATOM 1399 O HIS A 654 -5.754 -10.706 4.150 1.00 2.34 O ATOM 1400 CB HIS A 654 -5.199 -7.697 3.181 1.00 10.11 C ATOM 1401 CG HIS A 654 -4.141 -6.678 2.888 1.00 30.22 C ATOM 1402 ND1 HIS A 654 -3.844 -5.634 3.739 1.00 5.13 N ATOM 1403 CD2 HIS A 654 -3.305 -6.548 1.831 1.00 23.21 C ATOM 1404 CE1 HIS A 654 -2.873 -4.906 3.217 1.00 42.54 C ATOM 1405 NE2 HIS A 654 -2.528 -5.440 2.059 1.00 63.13 N ATOM 0 H HIS A 654 -4.969 -8.092 0.759 1.00 22.13 H new ATOM 0 HA HIS A 654 -3.908 -9.398 2.951 1.00 62.22 H new ATOM 0 HB2 HIS A 654 -6.149 -7.348 2.777 1.00 10.11 H new ATOM 0 HB3 HIS A 654 -5.323 -7.780 4.261 1.00 10.11 H new ATOM 0 HD1 HIS A 654 -4.302 -5.452 4.632 1.00 5.13 H new ATOM 0 HD2 HIS A 654 -3.258 -7.196 0.968 1.00 23.21 H new ATOM 0 HE1 HIS A 654 -2.436 -4.024 3.661 1.00 42.54 H new ATOM 1412 N ALA A 655 -7.000 -10.250 2.332 1.00 73.11 N ATOM 1413 CA ALA A 655 -8.060 -11.183 2.689 1.00 63.41 C ATOM 1414 C ALA A 655 -7.639 -12.623 2.412 1.00 4.30 C ATOM 1415 O ALA A 655 -7.821 -13.505 3.251 1.00 45.03 O ATOM 1416 CB ALA A 655 -9.335 -10.849 1.931 1.00 3.32 C ATOM 0 H ALA A 655 -7.158 -9.746 1.460 1.00 73.11 H new ATOM 0 HA ALA A 655 -8.251 -11.086 3.758 1.00 63.41 H new ATOM 0 HB1 ALA A 655 -10.118 -11.555 2.208 1.00 3.32 H new ATOM 0 HB2 ALA A 655 -9.653 -9.837 2.182 1.00 3.32 H new ATOM 0 HB3 ALA A 655 -9.149 -10.916 0.859 1.00 3.32 H new ATOM 1422 N TYR A 656 -7.079 -12.854 1.230 1.00 54.44 N ATOM 1423 CA TYR A 656 -6.635 -14.188 0.842 1.00 51.42 C ATOM 1424 C TYR A 656 -5.493 -14.663 1.734 1.00 74.51 C ATOM 1425 O TYR A 656 -5.419 -15.838 2.093 1.00 31.33 O ATOM 1426 CB TYR A 656 -6.192 -14.193 -0.621 1.00 24.14 C ATOM 1427 CG TYR A 656 -5.665 -15.532 -1.089 1.00 71.53 C ATOM 1428 CD1 TYR A 656 -6.533 -16.567 -1.414 1.00 35.03 C ATOM 1429 CD2 TYR A 656 -4.300 -15.760 -1.205 1.00 30.14 C ATOM 1430 CE1 TYR A 656 -6.056 -17.792 -1.840 1.00 33.13 C ATOM 1431 CE2 TYR A 656 -3.814 -16.981 -1.633 1.00 21.50 C ATOM 1432 CZ TYR A 656 -4.695 -17.994 -1.949 1.00 42.25 C ATOM 1433 OH TYR A 656 -4.216 -19.212 -2.374 1.00 52.14 O ATOM 0 H TYR A 656 -6.922 -12.135 0.524 1.00 54.44 H new ATOM 0 HA TYR A 656 -7.474 -14.873 0.963 1.00 51.42 H new ATOM 0 HB2 TYR A 656 -7.035 -13.904 -1.248 1.00 24.14 H new ATOM 0 HB3 TYR A 656 -5.418 -13.438 -0.760 1.00 24.14 H new ATOM 0 HD1 TYR A 656 -7.599 -16.412 -1.332 1.00 35.03 H new ATOM 0 HD2 TYR A 656 -3.607 -14.970 -0.957 1.00 30.14 H new ATOM 0 HE1 TYR A 656 -6.744 -18.587 -2.086 1.00 33.13 H new ATOM 0 HE2 TYR A 656 -2.749 -17.141 -1.720 1.00 21.50 H new ATOM 0 HH TYR A 656 -3.237 -19.188 -2.397 1.00 52.14 H new ATOM 1442 N TRP A 657 -4.605 -13.741 2.088 1.00 40.01 N ATOM 1443 CA TRP A 657 -3.465 -14.065 2.939 1.00 32.34 C ATOM 1444 C TRP A 657 -3.916 -14.361 4.364 1.00 42.41 C ATOM 1445 O TRP A 657 -3.393 -15.265 5.016 1.00 50.41 O ATOM 1446 CB TRP A 657 -2.458 -12.914 2.937 1.00 3.33 C ATOM 1447 CG TRP A 657 -1.724 -12.768 1.638 1.00 71.34 C ATOM 1448 CD1 TRP A 657 -1.593 -11.632 0.894 1.00 13.31 C ATOM 1449 CD2 TRP A 657 -1.020 -13.796 0.932 1.00 50.30 C ATOM 1450 NE1 TRP A 657 -0.851 -11.890 -0.234 1.00 65.12 N ATOM 1451 CE2 TRP A 657 -0.487 -13.211 -0.233 1.00 3.31 C ATOM 1452 CE3 TRP A 657 -0.788 -15.153 1.171 1.00 24.42 C ATOM 1453 CZ2 TRP A 657 0.262 -13.937 -1.155 1.00 41.34 C ATOM 1454 CZ3 TRP A 657 -0.044 -15.873 0.255 1.00 54.34 C ATOM 1455 CH2 TRP A 657 0.474 -15.263 -0.896 1.00 64.30 C ATOM 0 H TRP A 657 -4.652 -12.764 1.799 1.00 40.01 H new ATOM 0 HA TRP A 657 -2.986 -14.958 2.538 1.00 32.34 H new ATOM 0 HB2 TRP A 657 -2.981 -11.983 3.157 1.00 3.33 H new ATOM 0 HB3 TRP A 657 -1.736 -13.071 3.738 1.00 3.33 H new ATOM 0 HD1 TRP A 657 -2.011 -10.671 1.153 1.00 13.31 H new ATOM 0 HE1 TRP A 657 -0.611 -11.209 -0.954 1.00 65.12 H new ATOM 0 HE3 TRP A 657 -1.183 -15.631 2.055 1.00 24.42 H new ATOM 0 HZ2 TRP A 657 0.661 -13.470 -2.043 1.00 41.34 H new ATOM 0 HZ3 TRP A 657 0.141 -16.923 0.429 1.00 54.34 H new ATOM 0 HH2 TRP A 657 1.052 -15.852 -1.592 1.00 64.30 H new ATOM 1465 N SER A 658 -4.891 -13.593 4.843 1.00 73.20 N ATOM 1466 CA SER A 658 -5.410 -13.771 6.194 1.00 32.43 C ATOM 1467 C SER A 658 -5.918 -15.194 6.398 1.00 22.31 C ATOM 1468 O SER A 658 -5.557 -15.861 7.367 1.00 13.02 O ATOM 1469 CB SER A 658 -6.536 -12.771 6.466 1.00 34.40 C ATOM 1470 OG SER A 658 -7.419 -13.257 7.463 1.00 54.33 O ATOM 0 H SER A 658 -5.337 -12.842 4.315 1.00 73.20 H new ATOM 0 HA SER A 658 -4.596 -13.591 6.896 1.00 32.43 H new ATOM 0 HB2 SER A 658 -6.112 -11.819 6.784 1.00 34.40 H new ATOM 0 HB3 SER A 658 -7.089 -12.582 5.546 1.00 34.40 H new ATOM 0 HG SER A 658 -8.129 -12.600 7.620 1.00 54.33 H new ATOM 1475 N GLN A 659 -6.759 -15.654 5.476 1.00 51.41 N ATOM 1476 CA GLN A 659 -7.318 -16.998 5.554 1.00 61.22 C ATOM 1477 C GLN A 659 -6.224 -18.052 5.421 1.00 14.41 C ATOM 1478 O GLN A 659 -6.386 -19.188 5.864 1.00 73.44 O ATOM 1479 CB GLN A 659 -8.372 -17.199 4.464 1.00 64.35 C ATOM 1480 CG GLN A 659 -7.805 -17.162 3.055 1.00 14.12 C ATOM 1481 CD GLN A 659 -8.762 -17.727 2.025 1.00 41.21 C ATOM 1482 OE1 GLN A 659 -9.124 -17.052 1.060 1.00 42.43 O ATOM 1483 NE2 GLN A 659 -9.180 -18.971 2.224 1.00 31.22 N ATOM 0 H GLN A 659 -7.068 -15.115 4.667 1.00 51.41 H new ATOM 0 HA GLN A 659 -7.789 -17.112 6.530 1.00 61.22 H new ATOM 0 HB2 GLN A 659 -8.868 -18.157 4.622 1.00 64.35 H new ATOM 0 HB3 GLN A 659 -9.134 -16.426 4.560 1.00 64.35 H new ATOM 0 HG2 GLN A 659 -7.561 -16.132 2.793 1.00 14.12 H new ATOM 0 HG3 GLN A 659 -6.873 -17.727 3.028 1.00 14.12 H new ATOM 0 HE21 GLN A 659 -8.855 -19.494 3.037 1.00 31.22 H new ATOM 0 HE22 GLN A 659 -9.826 -19.404 1.564 1.00 31.22 H new ATOM 1490 N GLN A 660 -5.110 -17.666 4.805 1.00 5.42 N ATOM 1491 CA GLN A 660 -3.989 -18.579 4.612 1.00 43.11 C ATOM 1492 C GLN A 660 -2.697 -17.973 5.146 1.00 74.51 C ATOM 1493 O GLN A 660 -1.696 -17.895 4.433 1.00 30.42 O ATOM 1494 CB GLN A 660 -3.832 -18.920 3.129 1.00 10.04 C ATOM 1495 CG GLN A 660 -2.920 -20.108 2.872 1.00 21.41 C ATOM 1496 CD GLN A 660 -3.130 -20.719 1.500 1.00 72.01 C ATOM 1497 OE1 GLN A 660 -2.208 -20.774 0.685 1.00 1.32 O ATOM 1498 NE2 GLN A 660 -4.346 -21.183 1.238 1.00 70.04 N ATOM 0 H GLN A 660 -4.960 -16.729 4.432 1.00 5.42 H new ATOM 0 HA GLN A 660 -4.197 -19.493 5.168 1.00 43.11 H new ATOM 0 HB2 GLN A 660 -4.815 -19.129 2.707 1.00 10.04 H new ATOM 0 HB3 GLN A 660 -3.438 -18.050 2.604 1.00 10.04 H new ATOM 0 HG2 GLN A 660 -1.881 -19.792 2.970 1.00 21.41 H new ATOM 0 HG3 GLN A 660 -3.095 -20.867 3.634 1.00 21.41 H new ATOM 0 HE21 GLN A 660 -5.080 -21.117 1.943 1.00 70.04 H new ATOM 0 HE22 GLN A 660 -4.546 -21.606 0.332 1.00 70.04 H new ATOM 1505 N GLN A 661 -2.724 -17.545 6.404 1.00 24.01 N ATOM 1506 CA GLN A 661 -1.554 -16.946 7.033 1.00 73.25 C ATOM 1507 C GLN A 661 -0.930 -17.900 8.046 1.00 42.31 C ATOM 1508 O GLN A 661 0.114 -18.498 7.790 1.00 5.12 O ATOM 1509 CB GLN A 661 -1.933 -15.632 7.719 1.00 1.21 C ATOM 1510 CG GLN A 661 -0.823 -15.051 8.579 1.00 31.24 C ATOM 1511 CD GLN A 661 0.412 -14.694 7.775 1.00 74.22 C ATOM 1512 OE1 GLN A 661 0.329 -13.998 6.763 1.00 4.32 O ATOM 1513 NE2 GLN A 661 1.568 -15.170 8.223 1.00 12.01 N ATOM 0 H GLN A 661 -3.544 -17.602 7.008 1.00 24.01 H new ATOM 0 HA GLN A 661 -0.820 -16.742 6.254 1.00 73.25 H new ATOM 0 HB2 GLN A 661 -2.211 -14.902 6.959 1.00 1.21 H new ATOM 0 HB3 GLN A 661 -2.813 -15.797 8.340 1.00 1.21 H new ATOM 0 HG2 GLN A 661 -1.191 -14.160 9.087 1.00 31.24 H new ATOM 0 HG3 GLN A 661 -0.553 -15.770 9.352 1.00 31.24 H new ATOM 0 HE21 GLN A 661 1.591 -15.743 9.066 1.00 12.01 H new ATOM 0 HE22 GLN A 661 2.433 -14.962 7.724 1.00 12.01 H new ATOM 1520 N GLY A 662 -1.579 -18.038 9.199 1.00 33.15 N ATOM 1521 CA GLY A 662 -1.074 -18.921 10.234 1.00 34.41 C ATOM 1522 C GLY A 662 -1.603 -18.565 11.609 1.00 73.42 C ATOM 1523 O GLY A 662 -1.707 -19.425 12.484 1.00 1.13 O ATOM 0 H GLY A 662 -2.445 -17.554 9.434 1.00 33.15 H new ATOM 0 HA2 GLY A 662 -1.350 -19.949 9.997 1.00 34.41 H new ATOM 0 HA3 GLY A 662 0.015 -18.878 10.245 1.00 34.41 H new ATOM 1527 N LYS A 663 -1.936 -17.294 11.802 1.00 54.15 N ATOM 1528 CA LYS A 663 -2.456 -16.824 13.080 1.00 64.11 C ATOM 1529 C LYS A 663 -3.656 -17.658 13.518 1.00 51.42 C ATOM 1530 O LYS A 663 -4.154 -18.490 12.760 1.00 53.04 O ATOM 1531 CB LYS A 663 -2.854 -15.350 12.982 1.00 45.34 C ATOM 1532 CG LYS A 663 -3.979 -15.087 11.995 1.00 25.22 C ATOM 1533 CD LYS A 663 -4.759 -13.835 12.359 1.00 1.12 C ATOM 1534 CE LYS A 663 -6.172 -13.877 11.796 1.00 52.35 C ATOM 1535 NZ LYS A 663 -6.785 -12.521 11.738 1.00 63.35 N ATOM 0 H LYS A 663 -1.855 -16.570 11.088 1.00 54.15 H new ATOM 0 HA LYS A 663 -1.669 -16.932 13.826 1.00 64.11 H new ATOM 0 HB2 LYS A 663 -3.158 -14.998 13.968 1.00 45.34 H new ATOM 0 HB3 LYS A 663 -1.982 -14.766 12.690 1.00 45.34 H new ATOM 0 HG2 LYS A 663 -3.567 -14.981 10.992 1.00 25.22 H new ATOM 0 HG3 LYS A 663 -4.653 -15.943 11.974 1.00 25.22 H new ATOM 0 HD2 LYS A 663 -4.801 -13.733 13.443 1.00 1.12 H new ATOM 0 HD3 LYS A 663 -4.239 -12.957 11.976 1.00 1.12 H new ATOM 0 HE2 LYS A 663 -6.152 -14.310 10.796 1.00 52.35 H new ATOM 0 HE3 LYS A 663 -6.790 -14.529 12.413 1.00 52.35 H new ATOM 0 HZ1 LYS A 663 -7.747 -12.591 11.349 1.00 63.35 H new ATOM 0 HZ2 LYS A 663 -6.827 -12.118 12.696 1.00 63.35 H new ATOM 0 HZ3 LYS A 663 -6.209 -11.906 11.129 1.00 63.35 H new ATOM 1545 N GLN A 664 -4.117 -17.427 14.743 1.00 41.12 N ATOM 1546 CA GLN A 664 -5.259 -18.156 15.280 1.00 40.14 C ATOM 1547 C GLN A 664 -6.528 -17.830 14.499 1.00 23.42 C ATOM 1548 O GLN A 664 -7.099 -16.750 14.645 1.00 14.00 O ATOM 1549 CB GLN A 664 -5.457 -17.821 16.759 1.00 61.52 C ATOM 1550 CG GLN A 664 -4.299 -18.260 17.642 1.00 10.11 C ATOM 1551 CD GLN A 664 -4.094 -19.762 17.632 1.00 20.13 C ATOM 1552 OE1 GLN A 664 -3.382 -20.296 16.781 1.00 65.10 O ATOM 1553 NE2 GLN A 664 -4.718 -20.452 18.579 1.00 51.35 N ATOM 0 H GLN A 664 -3.717 -16.740 15.382 1.00 41.12 H new ATOM 0 HA GLN A 664 -5.056 -19.222 15.181 1.00 40.14 H new ATOM 0 HB2 GLN A 664 -5.596 -16.745 16.864 1.00 61.52 H new ATOM 0 HB3 GLN A 664 -6.372 -18.296 17.111 1.00 61.52 H new ATOM 0 HG2 GLN A 664 -3.385 -17.770 17.306 1.00 10.11 H new ATOM 0 HG3 GLN A 664 -4.481 -17.929 18.664 1.00 10.11 H new ATOM 0 HE21 GLN A 664 -5.298 -19.968 19.264 1.00 51.35 H new ATOM 0 HE22 GLN A 664 -4.617 -21.466 18.621 1.00 51.35 H new ATOM 1560 N HIS A 665 -6.965 -18.774 13.671 1.00 55.40 N ATOM 1561 CA HIS A 665 -8.168 -18.588 12.866 1.00 51.12 C ATOM 1562 C HIS A 665 -8.494 -19.850 12.075 1.00 72.51 C ATOM 1563 O HIS A 665 -7.721 -20.808 12.070 1.00 31.14 O ATOM 1564 CB HIS A 665 -7.991 -17.406 11.913 1.00 14.43 C ATOM 1565 CG HIS A 665 -9.269 -16.688 11.605 1.00 60.32 C ATOM 1566 ND1 HIS A 665 -9.512 -16.066 10.398 1.00 33.44 N ATOM 1567 CD2 HIS A 665 -10.380 -16.496 12.355 1.00 34.44 C ATOM 1568 CE1 HIS A 665 -10.715 -15.522 10.419 1.00 55.24 C ATOM 1569 NE2 HIS A 665 -11.263 -15.769 11.595 1.00 52.32 N ATOM 0 H HIS A 665 -6.505 -19.675 13.540 1.00 55.40 H new ATOM 0 HA HIS A 665 -8.998 -18.380 13.541 1.00 51.12 H new ATOM 0 HB2 HIS A 665 -7.284 -16.701 12.350 1.00 14.43 H new ATOM 0 HB3 HIS A 665 -7.551 -17.763 10.982 1.00 14.43 H new ATOM 0 HD2 HIS A 665 -10.542 -16.849 13.363 1.00 34.44 H new ATOM 0 HE1 HIS A 665 -11.173 -14.969 9.612 1.00 55.24 H new ATOM 0 HE2 HIS A 665 -12.192 -15.468 11.891 1.00 52.32 H new ATOM 1576 N VAL A 666 -9.643 -19.845 11.408 1.00 2.44 N ATOM 1577 CA VAL A 666 -10.071 -20.991 10.613 1.00 14.53 C ATOM 1578 C VAL A 666 -9.236 -21.122 9.345 1.00 14.22 C ATOM 1579 O VAL A 666 -9.559 -20.535 8.313 1.00 61.12 O ATOM 1580 CB VAL A 666 -11.558 -20.880 10.226 1.00 43.32 C ATOM 1581 CG1 VAL A 666 -11.977 -22.068 9.373 1.00 64.23 C ATOM 1582 CG2 VAL A 666 -12.426 -20.775 11.471 1.00 55.22 C ATOM 0 H VAL A 666 -10.295 -19.060 11.402 1.00 2.44 H new ATOM 0 HA VAL A 666 -9.929 -21.877 11.231 1.00 14.53 H new ATOM 0 HB VAL A 666 -11.696 -19.973 9.637 1.00 43.32 H new ATOM 0 HG11 VAL A 666 -13.030 -21.973 9.109 1.00 64.23 H new ATOM 0 HG12 VAL A 666 -11.376 -22.093 8.464 1.00 64.23 H new ATOM 0 HG13 VAL A 666 -11.825 -22.990 9.934 1.00 64.23 H new ATOM 0 HG21 VAL A 666 -13.473 -20.697 11.179 1.00 55.22 H new ATOM 0 HG22 VAL A 666 -12.286 -21.663 12.088 1.00 55.22 H new ATOM 0 HG23 VAL A 666 -12.141 -19.890 12.039 1.00 55.22 H new ATOM 1592 N GLU A 667 -8.159 -21.897 9.429 1.00 44.03 N ATOM 1593 CA GLU A 667 -7.277 -22.105 8.288 1.00 33.41 C ATOM 1594 C GLU A 667 -6.894 -23.577 8.156 1.00 42.13 C ATOM 1595 O GLU A 667 -6.950 -24.347 9.116 1.00 1.10 O ATOM 1596 CB GLU A 667 -6.015 -21.250 8.427 1.00 63.21 C ATOM 1597 CG GLU A 667 -5.451 -21.222 9.838 1.00 4.21 C ATOM 1598 CD GLU A 667 -4.044 -20.660 9.894 1.00 10.44 C ATOM 1599 OE1 GLU A 667 -3.895 -19.425 9.788 1.00 51.52 O ATOM 1600 OE2 GLU A 667 -3.092 -21.455 10.042 1.00 44.23 O ATOM 0 H GLU A 667 -7.877 -22.391 10.276 1.00 44.03 H new ATOM 0 HA GLU A 667 -7.814 -21.805 7.388 1.00 33.41 H new ATOM 0 HB2 GLU A 667 -5.252 -21.630 7.747 1.00 63.21 H new ATOM 0 HB3 GLU A 667 -6.241 -20.230 8.115 1.00 63.21 H new ATOM 0 HG2 GLU A 667 -6.103 -20.623 10.474 1.00 4.21 H new ATOM 0 HG3 GLU A 667 -5.451 -22.233 10.245 1.00 4.21 H new ATOM 1605 N PRO A 668 -6.498 -23.978 6.940 1.00 35.42 N ATOM 1606 CA PRO A 668 -6.098 -25.359 6.653 1.00 52.31 C ATOM 1607 C PRO A 668 -4.775 -25.730 7.315 1.00 43.44 C ATOM 1608 O PRO A 668 -4.245 -24.975 8.131 1.00 62.22 O ATOM 1609 CB PRO A 668 -5.957 -25.378 5.129 1.00 74.00 C ATOM 1610 CG PRO A 668 -5.664 -23.965 4.758 1.00 1.15 C ATOM 1611 CD PRO A 668 -6.406 -23.114 5.751 1.00 73.14 C ATOM 0 HA PRO A 668 -6.819 -26.080 7.037 1.00 52.31 H new ATOM 0 HB2 PRO A 668 -5.154 -26.045 4.814 1.00 74.00 H new ATOM 0 HB3 PRO A 668 -6.871 -25.731 4.651 1.00 74.00 H new ATOM 0 HG2 PRO A 668 -4.593 -23.765 4.796 1.00 1.15 H new ATOM 0 HG3 PRO A 668 -5.992 -23.753 3.740 1.00 1.15 H new ATOM 0 HD2 PRO A 668 -5.871 -22.189 5.967 1.00 73.14 H new ATOM 0 HD3 PRO A 668 -7.392 -22.833 5.381 1.00 73.14 H new ATOM 1616 N LEU A 669 -4.247 -26.896 6.959 1.00 15.21 N ATOM 1617 CA LEU A 669 -2.985 -27.367 7.518 1.00 52.14 C ATOM 1618 C LEU A 669 -1.882 -27.347 6.466 1.00 14.13 C ATOM 1619 O LEU A 669 -2.149 -27.451 5.268 1.00 1.15 O ATOM 1620 CB LEU A 669 -3.148 -28.781 8.077 1.00 1.43 C ATOM 1621 CG LEU A 669 -3.547 -29.859 7.067 1.00 44.04 C ATOM 1622 CD1 LEU A 669 -3.012 -31.216 7.496 1.00 74.31 C ATOM 1623 CD2 LEU A 669 -5.060 -29.906 6.908 1.00 24.43 C ATOM 0 H LEU A 669 -4.673 -27.533 6.286 1.00 15.21 H new ATOM 0 HA LEU A 669 -2.701 -26.694 8.327 1.00 52.14 H new ATOM 0 HB2 LEU A 669 -2.208 -29.077 8.542 1.00 1.43 H new ATOM 0 HB3 LEU A 669 -3.900 -28.754 8.866 1.00 1.43 H new ATOM 0 HG LEU A 669 -3.108 -29.607 6.102 1.00 44.04 H new ATOM 0 HD11 LEU A 669 -3.306 -31.970 6.766 1.00 74.31 H new ATOM 0 HD12 LEU A 669 -1.925 -31.175 7.558 1.00 74.31 H new ATOM 0 HD13 LEU A 669 -3.422 -31.477 8.472 1.00 74.31 H new ATOM 0 HD21 LEU A 669 -5.326 -30.678 6.186 1.00 24.43 H new ATOM 0 HD22 LEU A 669 -5.520 -30.134 7.869 1.00 24.43 H new ATOM 0 HD23 LEU A 669 -5.419 -28.939 6.554 1.00 24.43 H new ATOM 1634 N LYS A 670 -0.639 -27.215 6.919 1.00 3.41 N ATOM 1635 CA LYS A 670 0.506 -27.185 6.018 1.00 30.14 C ATOM 1636 C LYS A 670 1.216 -28.535 5.996 1.00 23.21 C ATOM 1637 O LYS A 670 1.493 -29.118 7.045 1.00 71.42 O ATOM 1638 CB LYS A 670 1.486 -26.089 6.441 1.00 10.41 C ATOM 1639 CG LYS A 670 2.759 -26.059 5.615 1.00 20.25 C ATOM 1640 CD LYS A 670 3.444 -24.705 5.693 1.00 72.13 C ATOM 1641 CE LYS A 670 4.874 -24.773 5.178 1.00 54.41 C ATOM 1642 NZ LYS A 670 5.643 -23.543 5.514 1.00 51.10 N ATOM 0 H LYS A 670 -0.400 -27.127 7.907 1.00 3.41 H new ATOM 0 HA LYS A 670 0.141 -26.969 5.014 1.00 30.14 H new ATOM 0 HB2 LYS A 670 0.991 -25.121 6.364 1.00 10.41 H new ATOM 0 HB3 LYS A 670 1.747 -26.232 7.490 1.00 10.41 H new ATOM 0 HG2 LYS A 670 3.441 -26.833 5.968 1.00 20.25 H new ATOM 0 HG3 LYS A 670 2.525 -26.290 4.576 1.00 20.25 H new ATOM 0 HD2 LYS A 670 2.880 -23.977 5.110 1.00 72.13 H new ATOM 0 HD3 LYS A 670 3.444 -24.355 6.725 1.00 72.13 H new ATOM 0 HE2 LYS A 670 5.373 -25.642 5.606 1.00 54.41 H new ATOM 0 HE3 LYS A 670 4.865 -24.912 4.097 1.00 54.41 H new ATOM 0 HZ1 LYS A 670 6.612 -23.628 5.146 1.00 51.10 H new ATOM 0 HZ2 LYS A 670 5.181 -22.716 5.084 1.00 51.10 H new ATOM 0 HZ3 LYS A 670 5.674 -23.424 6.547 1.00 51.10 H new ATOM 1652 N ILE A 671 1.508 -29.026 4.796 1.00 63.03 N ATOM 1653 CA ILE A 671 2.188 -30.306 4.640 1.00 12.12 C ATOM 1654 C ILE A 671 3.682 -30.109 4.406 1.00 61.42 C ATOM 1655 O ILE A 671 4.099 -29.143 3.768 1.00 33.55 O ATOM 1656 CB ILE A 671 1.600 -31.116 3.470 1.00 24.22 C ATOM 1657 CG1 ILE A 671 0.075 -31.177 3.579 1.00 43.44 C ATOM 1658 CG2 ILE A 671 2.190 -32.518 3.446 1.00 72.45 C ATOM 1659 CD1 ILE A 671 -0.415 -31.817 4.859 1.00 24.51 C ATOM 0 H ILE A 671 1.284 -28.557 3.918 1.00 63.03 H new ATOM 0 HA ILE A 671 2.037 -30.859 5.567 1.00 12.12 H new ATOM 0 HB ILE A 671 1.860 -30.617 2.536 1.00 24.22 H new ATOM 0 HG12 ILE A 671 -0.327 -30.166 3.511 1.00 43.44 H new ATOM 0 HG13 ILE A 671 -0.320 -31.734 2.730 1.00 43.44 H new ATOM 0 HG21 ILE A 671 1.764 -33.078 2.613 1.00 72.45 H new ATOM 0 HG22 ILE A 671 3.272 -32.456 3.326 1.00 72.45 H new ATOM 0 HG23 ILE A 671 1.958 -33.027 4.382 1.00 72.45 H new ATOM 0 HD11 ILE A 671 -1.505 -31.826 4.867 1.00 24.51 H new ATOM 0 HD12 ILE A 671 -0.043 -32.840 4.920 1.00 24.51 H new ATOM 0 HD13 ILE A 671 -0.050 -31.247 5.714 1.00 24.51 H new ATOM 1670 N LEU A 672 4.482 -31.032 4.927 1.00 71.45 N ATOM 1671 CA LEU A 672 5.931 -30.963 4.775 1.00 72.42 C ATOM 1672 C LEU A 672 6.562 -32.344 4.922 1.00 2.44 C ATOM 1673 O LEU A 672 5.871 -33.327 5.191 1.00 73.35 O ATOM 1674 CB LEU A 672 6.527 -30.005 5.808 1.00 51.11 C ATOM 1675 CG LEU A 672 5.906 -30.053 7.205 1.00 31.25 C ATOM 1676 CD1 LEU A 672 4.585 -29.300 7.227 1.00 23.22 C ATOM 1677 CD2 LEU A 672 5.708 -31.494 7.651 1.00 63.13 C ATOM 0 H LEU A 672 4.152 -31.837 5.459 1.00 71.45 H new ATOM 0 HA LEU A 672 6.148 -30.590 3.774 1.00 72.42 H new ATOM 0 HB2 LEU A 672 7.592 -30.217 5.898 1.00 51.11 H new ATOM 0 HB3 LEU A 672 6.436 -28.988 5.426 1.00 51.11 H new ATOM 0 HG LEU A 672 6.589 -29.568 7.903 1.00 31.25 H new ATOM 0 HD11 LEU A 672 4.157 -29.345 8.229 1.00 23.22 H new ATOM 0 HD12 LEU A 672 4.755 -28.259 6.951 1.00 23.22 H new ATOM 0 HD13 LEU A 672 3.895 -29.756 6.517 1.00 23.22 H new ATOM 0 HD21 LEU A 672 5.265 -31.509 8.647 1.00 63.13 H new ATOM 0 HD22 LEU A 672 5.045 -32.004 6.952 1.00 63.13 H new ATOM 0 HD23 LEU A 672 6.671 -32.003 7.674 1.00 63.13 H new ATOM 1688 N ASP A 673 7.876 -32.410 4.745 1.00 33.43 N ATOM 1689 CA ASP A 673 8.601 -33.671 4.861 1.00 40.24 C ATOM 1690 C ASP A 673 10.004 -33.442 5.416 1.00 5.33 C ATOM 1691 O ASP A 673 10.634 -32.423 5.137 1.00 4.54 O ATOM 1692 CB ASP A 673 8.684 -34.363 3.500 1.00 60.10 C ATOM 1693 CG ASP A 673 8.727 -35.874 3.620 1.00 71.23 C ATOM 1694 OD1 ASP A 673 7.646 -36.492 3.717 1.00 32.33 O ATOM 1695 OD2 ASP A 673 9.842 -36.438 3.620 1.00 44.25 O ATOM 0 H ASP A 673 8.462 -31.606 4.521 1.00 33.43 H new ATOM 0 HA ASP A 673 8.056 -34.313 5.553 1.00 40.24 H new ATOM 0 HB2 ASP A 673 7.824 -34.074 2.896 1.00 60.10 H new ATOM 0 HB3 ASP A 673 9.574 -34.018 2.974 1.00 60.10 H new ATOM 1699 N ALA A 674 10.486 -34.398 6.203 1.00 15.21 N ATOM 1700 CA ALA A 674 11.814 -34.301 6.796 1.00 32.31 C ATOM 1701 C ALA A 674 12.735 -35.392 6.260 1.00 31.34 C ATOM 1702 O ALA A 674 12.300 -36.283 5.530 1.00 71.42 O ATOM 1703 CB ALA A 674 11.723 -34.384 8.312 1.00 1.20 C ATOM 0 H ALA A 674 9.977 -35.248 6.445 1.00 15.21 H new ATOM 0 HA ALA A 674 12.238 -33.335 6.521 1.00 32.31 H new ATOM 0 HB1 ALA A 674 12.722 -34.310 8.741 1.00 1.20 H new ATOM 0 HB2 ALA A 674 11.107 -33.566 8.685 1.00 1.20 H new ATOM 0 HB3 ALA A 674 11.275 -35.335 8.598 1.00 1.20 H new ATOM 1709 N LYS A 675 14.011 -35.315 6.625 1.00 13.55 N ATOM 1710 CA LYS A 675 14.995 -36.295 6.182 1.00 22.14 C ATOM 1711 C LYS A 675 15.613 -37.022 7.371 1.00 42.22 C ATOM 1712 O LYS A 675 16.736 -36.724 7.777 1.00 62.12 O ATOM 1713 CB LYS A 675 16.091 -35.613 5.361 1.00 35.22 C ATOM 1714 CG LYS A 675 16.791 -36.545 4.387 1.00 12.51 C ATOM 1715 CD LYS A 675 17.839 -37.395 5.083 1.00 53.15 C ATOM 1716 CE LYS A 675 18.651 -38.208 4.086 1.00 13.21 C ATOM 1717 NZ LYS A 675 19.707 -37.387 3.431 1.00 31.54 N ATOM 0 H LYS A 675 14.388 -34.583 7.227 1.00 13.55 H new ATOM 0 HA LYS A 675 14.485 -37.028 5.557 1.00 22.14 H new ATOM 0 HB2 LYS A 675 15.654 -34.783 4.806 1.00 35.22 H new ATOM 0 HB3 LYS A 675 16.831 -35.188 6.040 1.00 35.22 H new ATOM 0 HG2 LYS A 675 16.055 -37.192 3.909 1.00 12.51 H new ATOM 0 HG3 LYS A 675 17.262 -35.960 3.597 1.00 12.51 H new ATOM 0 HD2 LYS A 675 18.506 -36.753 5.659 1.00 53.15 H new ATOM 0 HD3 LYS A 675 17.353 -38.066 5.791 1.00 53.15 H new ATOM 0 HE2 LYS A 675 19.113 -39.053 4.597 1.00 13.21 H new ATOM 0 HE3 LYS A 675 17.987 -38.619 3.326 1.00 13.21 H new ATOM 0 HZ1 LYS A 675 20.238 -37.977 2.759 1.00 31.54 H new ATOM 0 HZ2 LYS A 675 19.265 -36.595 2.922 1.00 31.54 H new ATOM 0 HZ3 LYS A 675 20.356 -37.015 4.154 1.00 31.54 H new ATOM 1727 N ALA A 676 14.873 -37.978 7.924 1.00 74.43 N ATOM 1728 CA ALA A 676 15.351 -38.748 9.066 1.00 23.42 C ATOM 1729 C ALA A 676 15.918 -40.093 8.620 1.00 73.44 C ATOM 1730 O ALA A 676 15.300 -40.807 7.832 1.00 33.21 O ATOM 1731 CB ALA A 676 14.228 -38.955 10.071 1.00 30.32 C ATOM 0 H ALA A 676 13.941 -38.237 7.600 1.00 74.43 H new ATOM 0 HA ALA A 676 16.152 -38.184 9.544 1.00 23.42 H new ATOM 0 HB1 ALA A 676 14.600 -39.531 10.918 1.00 30.32 H new ATOM 0 HB2 ALA A 676 13.869 -37.987 10.420 1.00 30.32 H new ATOM 0 HB3 ALA A 676 13.409 -39.495 9.596 1.00 30.32 H new ATOM 1737 N GLN A 677 17.098 -40.430 9.131 1.00 62.42 N ATOM 1738 CA GLN A 677 17.749 -41.688 8.785 1.00 51.10 C ATOM 1739 C GLN A 677 18.245 -42.407 10.036 1.00 0.53 C ATOM 1740 O GLN A 677 18.107 -41.904 11.151 1.00 15.41 O ATOM 1741 CB GLN A 677 18.917 -41.436 7.830 1.00 11.21 C ATOM 1742 CG GLN A 677 20.051 -40.639 8.453 1.00 74.35 C ATOM 1743 CD GLN A 677 21.061 -41.519 9.165 1.00 52.31 C ATOM 1744 OE1 GLN A 677 21.291 -41.371 10.366 1.00 32.43 O ATOM 1745 NE2 GLN A 677 21.667 -42.441 8.427 1.00 52.31 N ATOM 0 H GLN A 677 17.622 -39.850 9.786 1.00 62.42 H new ATOM 0 HA GLN A 677 17.015 -42.324 8.290 1.00 51.10 H new ATOM 0 HB2 GLN A 677 19.305 -42.394 7.483 1.00 11.21 H new ATOM 0 HB3 GLN A 677 18.550 -40.904 6.952 1.00 11.21 H new ATOM 0 HG2 GLN A 677 20.558 -40.067 7.676 1.00 74.35 H new ATOM 0 HG3 GLN A 677 19.639 -39.920 9.161 1.00 74.35 H new ATOM 0 HE21 GLN A 677 21.445 -42.527 7.435 1.00 52.31 H new ATOM 0 HE22 GLN A 677 22.355 -43.063 8.852 1.00 52.31 H new ATOM 1752 N LYS A 678 18.823 -43.588 9.842 1.00 63.11 N ATOM 1753 CA LYS A 678 19.340 -44.377 10.954 1.00 12.13 C ATOM 1754 C LYS A 678 20.860 -44.493 10.878 1.00 4.41 C ATOM 1755 O LYS A 678 21.416 -44.802 9.824 1.00 72.30 O ATOM 1756 CB LYS A 678 18.711 -45.772 10.952 1.00 30.21 C ATOM 1757 CG LYS A 678 18.940 -46.543 12.240 1.00 24.53 C ATOM 1758 CD LYS A 678 20.219 -47.362 12.181 1.00 53.20 C ATOM 1759 CE LYS A 678 20.123 -48.610 13.043 1.00 24.43 C ATOM 1760 NZ LYS A 678 19.764 -48.286 14.452 1.00 21.23 N ATOM 0 H LYS A 678 18.945 -44.019 8.926 1.00 63.11 H new ATOM 0 HA LYS A 678 19.078 -43.868 11.881 1.00 12.13 H new ATOM 0 HB2 LYS A 678 17.639 -45.678 10.780 1.00 30.21 H new ATOM 0 HB3 LYS A 678 19.118 -46.344 10.118 1.00 30.21 H new ATOM 0 HG2 LYS A 678 18.991 -45.847 13.077 1.00 24.53 H new ATOM 0 HG3 LYS A 678 18.093 -47.203 12.425 1.00 24.53 H new ATOM 0 HD2 LYS A 678 20.422 -47.647 11.149 1.00 53.20 H new ATOM 0 HD3 LYS A 678 21.058 -46.752 12.515 1.00 53.20 H new ATOM 0 HE2 LYS A 678 19.376 -49.284 12.624 1.00 24.43 H new ATOM 0 HE3 LYS A 678 21.076 -49.139 13.024 1.00 24.43 H new ATOM 0 HZ1 LYS A 678 19.857 -49.139 15.039 1.00 21.23 H new ATOM 0 HZ2 LYS A 678 20.402 -47.547 14.812 1.00 21.23 H new ATOM 0 HZ3 LYS A 678 18.782 -47.945 14.490 1.00 21.23 H new ATOM 1770 N VAL A 679 21.525 -44.245 12.001 1.00 52.23 N ATOM 1771 CA VAL A 679 22.980 -44.324 12.062 1.00 43.41 C ATOM 1772 C VAL A 679 23.467 -45.732 11.742 1.00 23.24 C ATOM 1773 O VAL A 679 23.426 -46.622 12.590 1.00 63.51 O ATOM 1774 CB VAL A 679 23.507 -43.913 13.450 1.00 5.12 C ATOM 1775 CG1 VAL A 679 25.027 -43.909 13.463 1.00 73.14 C ATOM 1776 CG2 VAL A 679 22.957 -42.551 13.845 1.00 60.51 C ATOM 0 H VAL A 679 21.080 -43.987 12.882 1.00 52.23 H new ATOM 0 HA VAL A 679 23.366 -43.630 11.315 1.00 43.41 H new ATOM 0 HB VAL A 679 23.164 -44.644 14.182 1.00 5.12 H new ATOM 0 HG11 VAL A 679 25.382 -43.616 14.451 1.00 73.14 H new ATOM 0 HG12 VAL A 679 25.396 -44.907 13.226 1.00 73.14 H new ATOM 0 HG13 VAL A 679 25.395 -43.201 12.721 1.00 73.14 H new ATOM 0 HG21 VAL A 679 23.339 -42.276 14.828 1.00 60.51 H new ATOM 0 HG22 VAL A 679 23.269 -41.806 13.113 1.00 60.51 H new ATOM 0 HG23 VAL A 679 21.868 -42.594 13.878 1.00 60.51 H new ATOM 1786 N GLY A 680 23.930 -45.928 10.510 1.00 63.35 N ATOM 1787 CA GLY A 680 24.419 -47.231 10.100 1.00 72.21 C ATOM 1788 C GLY A 680 25.916 -47.238 9.861 1.00 31.45 C ATOM 1789 O GLY A 680 26.469 -46.286 9.312 1.00 51.43 O ATOM 0 H GLY A 680 23.975 -45.207 9.790 1.00 63.35 H new ATOM 0 HA2 GLY A 680 24.173 -47.966 10.866 1.00 72.21 H new ATOM 0 HA3 GLY A 680 23.907 -47.538 9.188 1.00 72.21 H new ATOM 1793 N ALA A 681 26.574 -48.316 10.274 1.00 22.21 N ATOM 1794 CA ALA A 681 28.016 -48.444 10.102 1.00 23.43 C ATOM 1795 C ALA A 681 28.403 -48.349 8.630 1.00 62.02 C ATOM 1796 O ALA A 681 29.480 -47.856 8.292 1.00 61.22 O ATOM 1797 CB ALA A 681 28.503 -49.759 10.694 1.00 33.45 C ATOM 0 H ALA A 681 26.131 -49.114 10.730 1.00 22.21 H new ATOM 0 HA ALA A 681 28.495 -47.620 10.631 1.00 23.43 H new ATOM 0 HB1 ALA A 681 29.581 -49.842 10.559 1.00 33.45 H new ATOM 0 HB2 ALA A 681 28.267 -49.788 11.758 1.00 33.45 H new ATOM 0 HB3 ALA A 681 28.009 -50.590 10.190 1.00 33.45 H new TER 1803 ALA A 681