USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=18 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 656 TYR OH : rot 108:sc= 0.808 USER MOD Set 1.2: A 664 GLN : amide:sc= 0.34 K(o=1.1,f=-0.5) USER MOD Set 2.1: A 625 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 636 GLN : amide:sc= -0.996 X(o=-1,f=-0.9) USER MOD Single : A 563 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.6) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ -148:sc= -0.318 (180deg=-1.55!) 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 X(o=0,f=0) USER MOD Single : A 581 SER OG : rot 180:sc= 0 USER MOD Single : A 594 HIS : no HE2:sc= -0.613 K(o=-0.61,f=-2.3) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 LYS NZ :NH3+ -164:sc= 0.288 (180deg=0.206) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 613 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.36) USER MOD Single : A 615 THR OG1 : rot 140:sc= -2.45! 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+ -146:sc= 0.0442 (180deg=-0.895!) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 628 HIS : no HE2:sc= -0.529 K(o=-0.53,f=-3!) USER MOD Single : A 629 THR OG1 : rot 70:sc= -0.475 USER MOD Single : A 631 SER OG : rot -64:sc= 0.944 USER MOD Single : A 635 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 HIS : no HD1:sc= -0.656 K(o=-0.66,f=-1.4) USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.019) USER MOD Single : A 660 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 663 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 665 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 670 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.122) USER MOD Single : A 677 GLN : amide:sc= -1.97 K(o=-2,f=-5.2!) USER MOD Single : A 678 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 561 -22.641 -4.036 -26.119 1.00 72.43 N ATOM 2 CA PRO A 561 -21.970 -2.869 -26.698 1.00 71.23 C ATOM 3 C PRO A 561 -20.451 -2.982 -26.633 1.00 31.44 C ATOM 4 O PRO A 561 -19.903 -3.607 -25.725 1.00 65.41 O ATOM 5 CB PRO A 561 -22.457 -1.710 -25.825 1.00 40.25 C ATOM 6 CG PRO A 561 -22.812 -2.340 -24.523 1.00 62.21 C ATOM 7 CD PRO A 561 -23.321 -3.716 -24.853 1.00 52.20 C ATOM 0 HA PRO A 561 -22.201 -2.750 -27.757 1.00 71.23 H new ATOM 0 HB2 PRO A 561 -21.681 -0.955 -25.701 1.00 40.25 H new ATOM 0 HB3 PRO A 561 -23.318 -1.212 -26.272 1.00 40.25 H new ATOM 0 HG2 PRO A 561 -21.944 -2.392 -23.866 1.00 62.21 H new ATOM 0 HG3 PRO A 561 -23.572 -1.757 -24.002 1.00 62.21 H new ATOM 0 HD2 PRO A 561 -23.074 -4.434 -24.071 1.00 52.20 H new ATOM 0 HD3 PRO A 561 -24.405 -3.727 -24.965 1.00 52.20 H new ATOM 12 N VAL A 562 -19.774 -2.373 -27.601 1.00 55.12 N ATOM 13 CA VAL A 562 -18.318 -2.404 -27.652 1.00 20.03 C ATOM 14 C VAL A 562 -17.724 -1.062 -27.235 1.00 2.44 C ATOM 15 O VAL A 562 -17.395 -0.229 -28.079 1.00 64.43 O ATOM 16 CB VAL A 562 -17.813 -2.759 -29.064 1.00 43.42 C ATOM 17 CG1 VAL A 562 -16.292 -2.783 -29.098 1.00 62.25 C ATOM 18 CG2 VAL A 562 -18.385 -4.096 -29.512 1.00 31.53 C ATOM 0 H VAL A 562 -20.211 -1.852 -28.361 1.00 55.12 H new ATOM 0 HA VAL A 562 -17.994 -3.175 -26.953 1.00 20.03 H new ATOM 0 HB VAL A 562 -18.155 -1.991 -29.757 1.00 43.42 H new ATOM 0 HG11 VAL A 562 -15.954 -3.036 -30.103 1.00 62.25 H new ATOM 0 HG12 VAL A 562 -15.906 -1.802 -28.822 1.00 62.25 H new ATOM 0 HG13 VAL A 562 -15.924 -3.529 -28.394 1.00 62.25 H new ATOM 0 HG21 VAL A 562 -18.019 -4.332 -30.511 1.00 31.53 H new ATOM 0 HG22 VAL A 562 -18.073 -4.876 -28.817 1.00 31.53 H new ATOM 0 HG23 VAL A 562 -19.473 -4.039 -29.529 1.00 31.53 H new ATOM 28 N ASN A 563 -17.589 -0.862 -25.929 1.00 73.31 N ATOM 29 CA ASN A 563 -17.035 0.379 -25.400 1.00 61.23 C ATOM 30 C ASN A 563 -15.511 0.320 -25.359 1.00 65.23 C ATOM 31 O ASN A 563 -14.925 -0.755 -25.225 1.00 12.34 O ATOM 32 CB ASN A 563 -17.583 0.649 -23.997 1.00 40.33 C ATOM 33 CG ASN A 563 -16.913 -0.205 -22.939 1.00 63.40 C ATOM 34 OD1 ASN A 563 -16.542 -1.351 -23.194 1.00 61.44 O ATOM 35 ND2 ASN A 563 -16.754 0.350 -21.743 1.00 53.52 N ATOM 0 H ASN A 563 -17.855 -1.543 -25.217 1.00 73.31 H new ATOM 0 HA ASN A 563 -17.332 1.192 -26.062 1.00 61.23 H new ATOM 0 HB2 ASN A 563 -17.443 1.702 -23.752 1.00 40.33 H new ATOM 0 HB3 ASN A 563 -18.656 0.459 -23.987 1.00 40.33 H new ATOM 0 HD21 ASN A 563 -16.309 -0.177 -20.991 1.00 53.52 H new ATOM 0 HD22 ASN A 563 -17.077 1.303 -21.576 1.00 53.52 H new ATOM 41 N GLN A 564 -14.876 1.482 -25.473 1.00 3.24 N ATOM 42 CA GLN A 564 -13.420 1.562 -25.450 1.00 44.21 C ATOM 43 C GLN A 564 -12.958 2.956 -25.038 1.00 52.41 C ATOM 44 O GLN A 564 -13.071 3.911 -25.806 1.00 42.52 O ATOM 45 CB GLN A 564 -12.846 1.206 -26.822 1.00 3.30 C ATOM 46 CG GLN A 564 -12.594 -0.282 -27.008 1.00 12.43 C ATOM 47 CD GLN A 564 -11.464 -0.564 -27.979 1.00 2.52 C ATOM 48 OE1 GLN A 564 -11.655 -0.544 -29.195 1.00 13.40 O ATOM 49 NE2 GLN A 564 -10.277 -0.831 -27.446 1.00 53.34 N ATOM 0 H GLN A 564 -15.346 2.380 -25.582 1.00 3.24 H new ATOM 0 HA GLN A 564 -13.054 0.846 -24.715 1.00 44.21 H new ATOM 0 HB2 GLN A 564 -13.534 1.549 -27.595 1.00 3.30 H new ATOM 0 HB3 GLN A 564 -11.910 1.746 -26.966 1.00 3.30 H new ATOM 0 HG2 GLN A 564 -12.359 -0.731 -26.043 1.00 12.43 H new ATOM 0 HG3 GLN A 564 -13.505 -0.759 -27.368 1.00 12.43 H new ATOM 0 HE21 GLN A 564 -10.163 -0.837 -26.432 1.00 53.34 H new ATOM 0 HE22 GLN A 564 -9.480 -1.030 -28.050 1.00 53.34 H new ATOM 56 N LYS A 565 -12.437 3.066 -23.820 1.00 41.53 N ATOM 57 CA LYS A 565 -11.957 4.342 -23.306 1.00 32.21 C ATOM 58 C LYS A 565 -10.625 4.171 -22.581 1.00 14.52 C ATOM 59 O LYS A 565 -10.562 3.563 -21.514 1.00 43.53 O ATOM 60 CB LYS A 565 -12.990 4.955 -22.357 1.00 62.22 C ATOM 61 CG LYS A 565 -13.553 3.966 -21.350 1.00 1.14 C ATOM 62 CD LYS A 565 -14.659 4.589 -20.516 1.00 2.31 C ATOM 63 CE LYS A 565 -15.215 3.601 -19.501 1.00 3.42 C ATOM 64 NZ LYS A 565 -16.408 4.143 -18.795 1.00 14.41 N ATOM 0 H LYS A 565 -12.337 2.286 -23.171 1.00 41.53 H new ATOM 0 HA LYS A 565 -11.807 5.012 -24.153 1.00 32.21 H new ATOM 0 HB2 LYS A 565 -12.531 5.785 -21.821 1.00 62.22 H new ATOM 0 HB3 LYS A 565 -13.810 5.369 -22.944 1.00 62.22 H new ATOM 0 HG2 LYS A 565 -13.940 3.092 -21.874 1.00 1.14 H new ATOM 0 HG3 LYS A 565 -12.754 3.618 -20.695 1.00 1.14 H new ATOM 0 HD2 LYS A 565 -14.275 5.467 -19.998 1.00 2.31 H new ATOM 0 HD3 LYS A 565 -15.461 4.931 -21.170 1.00 2.31 H new ATOM 0 HE2 LYS A 565 -15.483 2.673 -20.007 1.00 3.42 H new ATOM 0 HE3 LYS A 565 -14.442 3.356 -18.772 1.00 3.42 H new ATOM 0 HZ1 LYS A 565 -16.757 3.440 -18.112 1.00 14.41 H new ATOM 0 HZ2 LYS A 565 -16.147 5.015 -18.291 1.00 14.41 H new ATOM 0 HZ3 LYS A 565 -17.155 4.353 -19.487 1.00 14.41 H new ATOM 74 N SER A 566 -9.563 4.712 -23.170 1.00 60.20 N ATOM 75 CA SER A 566 -8.232 4.617 -22.582 1.00 24.11 C ATOM 76 C SER A 566 -7.623 6.002 -22.390 1.00 21.43 C ATOM 77 O SER A 566 -7.588 6.812 -23.317 1.00 52.20 O ATOM 78 CB SER A 566 -7.321 3.764 -23.466 1.00 44.34 C ATOM 79 OG SER A 566 -7.664 3.901 -24.833 1.00 10.02 O ATOM 0 H SER A 566 -9.599 5.220 -24.054 1.00 60.20 H new ATOM 0 HA SER A 566 -8.326 4.142 -21.605 1.00 24.11 H new ATOM 0 HB2 SER A 566 -6.283 4.061 -23.317 1.00 44.34 H new ATOM 0 HB3 SER A 566 -7.399 2.718 -23.171 1.00 44.34 H new ATOM 0 HG SER A 566 -7.066 3.347 -25.377 1.00 10.02 H new ATOM 84 N LYS A 567 -7.141 6.269 -21.181 1.00 5.33 N ATOM 85 CA LYS A 567 -6.530 7.554 -20.866 1.00 70.23 C ATOM 86 C LYS A 567 -5.090 7.372 -20.399 1.00 30.45 C ATOM 87 O LYS A 567 -4.839 6.853 -19.312 1.00 64.15 O ATOM 88 CB LYS A 567 -7.339 8.275 -19.785 1.00 43.34 C ATOM 89 CG LYS A 567 -8.434 9.170 -20.341 1.00 61.42 C ATOM 90 CD LYS A 567 -9.699 8.385 -20.639 1.00 43.42 C ATOM 91 CE LYS A 567 -10.581 8.260 -19.406 1.00 21.41 C ATOM 92 NZ LYS A 567 -10.222 7.069 -18.586 1.00 33.21 N ATOM 0 H LYS A 567 -7.162 5.611 -20.402 1.00 5.33 H new ATOM 0 HA LYS A 567 -6.526 8.158 -21.773 1.00 70.23 H new ATOM 0 HB2 LYS A 567 -7.788 7.534 -19.124 1.00 43.34 H new ATOM 0 HB3 LYS A 567 -6.663 8.877 -19.177 1.00 43.34 H new ATOM 0 HG2 LYS A 567 -8.656 9.962 -19.625 1.00 61.42 H new ATOM 0 HG3 LYS A 567 -8.082 9.654 -21.252 1.00 61.42 H new ATOM 0 HD2 LYS A 567 -10.255 8.878 -21.437 1.00 43.42 H new ATOM 0 HD3 LYS A 567 -9.435 7.391 -21.001 1.00 43.42 H new ATOM 0 HE2 LYS A 567 -10.487 9.161 -18.799 1.00 21.41 H new ATOM 0 HE3 LYS A 567 -11.625 8.189 -19.712 1.00 21.41 H new ATOM 0 HZ1 LYS A 567 -11.075 6.696 -18.123 1.00 33.21 H new ATOM 0 HZ2 LYS A 567 -9.813 6.336 -19.199 1.00 33.21 H new ATOM 0 HZ3 LYS A 567 -9.527 7.342 -17.862 1.00 33.21 H new ATOM 102 N ARG A 568 -4.145 7.804 -21.229 1.00 62.53 N ATOM 103 CA ARG A 568 -2.729 7.689 -20.901 1.00 54.43 C ATOM 104 C ARG A 568 -2.099 9.068 -20.721 1.00 64.13 C ATOM 105 O ARG A 568 -0.899 9.243 -20.928 1.00 74.30 O ATOM 106 CB ARG A 568 -1.991 6.919 -21.997 1.00 3.33 C ATOM 107 CG ARG A 568 -2.355 5.445 -22.056 1.00 0.33 C ATOM 108 CD ARG A 568 -3.532 5.198 -22.988 1.00 23.11 C ATOM 109 NE ARG A 568 -3.104 5.023 -24.374 1.00 43.42 N ATOM 110 CZ ARG A 568 -3.915 5.166 -25.416 1.00 44.03 C ATOM 111 NH1 ARG A 568 -5.188 5.484 -25.231 1.00 53.45 N ATOM 112 NH2 ARG A 568 -3.453 4.989 -26.647 1.00 34.23 N ATOM 0 H ARG A 568 -4.335 8.237 -22.133 1.00 62.53 H new ATOM 0 HA ARG A 568 -2.642 7.143 -19.962 1.00 54.43 H new ATOM 0 HB2 ARG A 568 -2.210 7.377 -22.961 1.00 3.33 H new ATOM 0 HB3 ARG A 568 -0.917 7.013 -21.835 1.00 3.33 H new ATOM 0 HG2 ARG A 568 -1.494 4.870 -22.396 1.00 0.33 H new ATOM 0 HG3 ARG A 568 -2.601 5.090 -21.055 1.00 0.33 H new ATOM 0 HD2 ARG A 568 -4.074 4.311 -22.661 1.00 23.11 H new ATOM 0 HD3 ARG A 568 -4.226 6.036 -22.926 1.00 23.11 H new ATOM 0 HE ARG A 568 -2.130 4.778 -24.551 1.00 43.42 H new ATOM 0 HH11 ARG A 568 -5.548 5.620 -24.286 1.00 53.45 H new ATOM 0 HH12 ARG A 568 -5.808 5.593 -26.033 1.00 53.45 H new ATOM 0 HH21 ARG A 568 -2.474 4.743 -26.794 1.00 34.23 H new ATOM 0 HH22 ARG A 568 -4.077 5.099 -27.447 1.00 34.23 H new ATOM 123 N SER A 569 -2.918 10.040 -20.334 1.00 32.12 N ATOM 124 CA SER A 569 -2.441 11.403 -20.129 1.00 13.30 C ATOM 125 C SER A 569 -2.277 11.704 -18.643 1.00 72.24 C ATOM 126 O SER A 569 -3.258 11.788 -17.904 1.00 31.12 O ATOM 127 CB SER A 569 -3.412 12.405 -20.760 1.00 31.53 C ATOM 128 OG SER A 569 -3.443 12.266 -22.170 1.00 11.24 O ATOM 0 H SER A 569 -3.914 9.910 -20.156 1.00 32.12 H new ATOM 0 HA SER A 569 -1.467 11.497 -20.610 1.00 13.30 H new ATOM 0 HB2 SER A 569 -4.412 12.252 -20.354 1.00 31.53 H new ATOM 0 HB3 SER A 569 -3.113 13.420 -20.498 1.00 31.53 H new ATOM 0 HG SER A 569 -4.071 12.915 -22.549 1.00 11.24 H new ATOM 133 N GLU A 570 -1.030 11.866 -18.214 1.00 61.53 N ATOM 134 CA GLU A 570 -0.736 12.158 -16.815 1.00 44.00 C ATOM 135 C GLU A 570 0.739 12.504 -16.629 1.00 43.14 C ATOM 136 O GLU A 570 1.603 11.992 -17.341 1.00 44.01 O ATOM 137 CB GLU A 570 -1.106 10.962 -15.934 1.00 33.42 C ATOM 138 CG GLU A 570 -0.216 9.749 -16.149 1.00 13.22 C ATOM 139 CD GLU A 570 1.024 9.772 -15.277 1.00 1.45 C ATOM 140 OE1 GLU A 570 0.902 10.110 -14.082 1.00 70.43 O ATOM 141 OE2 GLU A 570 2.116 9.451 -15.791 1.00 14.23 O ATOM 0 H GLU A 570 -0.207 11.800 -18.814 1.00 61.53 H new ATOM 0 HA GLU A 570 -1.333 13.020 -16.517 1.00 44.00 H new ATOM 0 HB2 GLU A 570 -1.051 11.262 -14.887 1.00 33.42 H new ATOM 0 HB3 GLU A 570 -2.141 10.682 -16.131 1.00 33.42 H new ATOM 0 HG2 GLU A 570 -0.786 8.844 -15.940 1.00 13.22 H new ATOM 0 HG3 GLU A 570 0.082 9.703 -17.196 1.00 13.22 H new ATOM 146 N LEU A 571 1.018 13.378 -15.668 1.00 14.31 N ATOM 147 CA LEU A 571 2.387 13.796 -15.388 1.00 2.54 C ATOM 148 C LEU A 571 2.520 14.303 -13.956 1.00 51.14 C ATOM 149 O LEU A 571 1.521 14.529 -13.273 1.00 65.35 O ATOM 150 CB LEU A 571 2.820 14.885 -16.370 1.00 72.50 C ATOM 151 CG LEU A 571 1.760 15.928 -16.726 1.00 32.31 C ATOM 152 CD1 LEU A 571 0.777 15.366 -17.740 1.00 43.21 C ATOM 153 CD2 LEU A 571 1.030 16.395 -15.474 1.00 21.13 C ATOM 0 H LEU A 571 0.314 13.811 -15.070 1.00 14.31 H new ATOM 0 HA LEU A 571 3.037 12.929 -15.508 1.00 2.54 H new ATOM 0 HB2 LEU A 571 3.683 15.402 -15.951 1.00 72.50 H new ATOM 0 HB3 LEU A 571 3.152 14.405 -17.291 1.00 72.50 H new ATOM 0 HG LEU A 571 2.259 16.787 -17.173 1.00 32.31 H new ATOM 0 HD11 LEU A 571 0.030 16.123 -17.981 1.00 43.21 H new ATOM 0 HD12 LEU A 571 1.312 15.082 -18.646 1.00 43.21 H new ATOM 0 HD13 LEU A 571 0.283 14.489 -17.321 1.00 43.21 H new ATOM 0 HD21 LEU A 571 0.279 17.137 -15.746 1.00 21.13 H new ATOM 0 HD22 LEU A 571 0.543 15.544 -14.998 1.00 21.13 H new ATOM 0 HD23 LEU A 571 1.744 16.839 -14.781 1.00 21.13 H new ATOM 164 N SER A 572 3.758 14.483 -13.509 1.00 4.15 N ATOM 165 CA SER A 572 4.022 14.961 -12.157 1.00 14.20 C ATOM 166 C SER A 572 5.499 15.298 -11.979 1.00 24.10 C ATOM 167 O SER A 572 6.348 14.407 -11.937 1.00 72.12 O ATOM 168 CB SER A 572 3.598 13.911 -11.129 1.00 11.20 C ATOM 169 OG SER A 572 3.663 14.432 -9.812 1.00 10.54 O ATOM 0 H SER A 572 4.595 14.305 -14.064 1.00 4.15 H new ATOM 0 HA SER A 572 3.439 15.868 -11.999 1.00 14.20 H new ATOM 0 HB2 SER A 572 2.582 13.578 -11.342 1.00 11.20 H new ATOM 0 HB3 SER A 572 4.244 13.037 -11.210 1.00 11.20 H new ATOM 0 HG SER A 572 3.386 13.742 -9.173 1.00 10.54 H new ATOM 174 N GLN A 573 5.798 16.589 -11.873 1.00 4.55 N ATOM 175 CA GLN A 573 7.172 17.043 -11.699 1.00 11.25 C ATOM 176 C GLN A 573 7.210 18.460 -11.135 1.00 14.33 C ATOM 177 O GLN A 573 6.915 19.426 -11.840 1.00 73.33 O ATOM 178 CB GLN A 573 7.921 16.991 -13.032 1.00 22.31 C ATOM 179 CG GLN A 573 9.379 17.410 -12.927 1.00 1.33 C ATOM 180 CD GLN A 573 9.975 17.787 -14.269 1.00 20.04 C ATOM 181 OE1 GLN A 573 9.710 18.867 -14.798 1.00 65.20 O ATOM 182 NE2 GLN A 573 10.786 16.897 -14.828 1.00 24.42 N ATOM 0 H GLN A 573 5.107 17.339 -11.905 1.00 4.55 H new ATOM 0 HA GLN A 573 7.662 16.376 -10.989 1.00 11.25 H new ATOM 0 HB2 GLN A 573 7.871 15.977 -13.428 1.00 22.31 H new ATOM 0 HB3 GLN A 573 7.416 17.639 -13.749 1.00 22.31 H new ATOM 0 HG2 GLN A 573 9.462 18.257 -12.246 1.00 1.33 H new ATOM 0 HG3 GLN A 573 9.957 16.594 -12.493 1.00 1.33 H new ATOM 0 HE21 GLN A 573 10.978 16.014 -14.355 1.00 24.42 H new ATOM 0 HE22 GLN A 573 11.217 17.096 -15.731 1.00 24.42 H new ATOM 189 N ARG A 574 7.574 18.576 -9.863 1.00 63.11 N ATOM 190 CA ARG A 574 7.649 19.874 -9.205 1.00 24.41 C ATOM 191 C ARG A 574 8.188 19.733 -7.784 1.00 51.25 C ATOM 192 O ARG A 574 8.147 18.651 -7.199 1.00 65.02 O ATOM 193 CB ARG A 574 6.270 20.535 -9.176 1.00 75.52 C ATOM 194 CG ARG A 574 6.323 22.054 -9.169 1.00 11.44 C ATOM 195 CD ARG A 574 6.900 22.597 -10.468 1.00 3.43 C ATOM 196 NE ARG A 574 6.551 23.999 -10.679 1.00 72.25 N ATOM 197 CZ ARG A 574 5.354 24.406 -11.088 1.00 65.40 C ATOM 198 NH1 ARG A 574 4.396 23.521 -11.328 1.00 23.53 N ATOM 199 NH2 ARG A 574 5.114 25.699 -11.255 1.00 14.42 N ATOM 0 H ARG A 574 7.822 17.786 -9.267 1.00 63.11 H new ATOM 0 HA ARG A 574 8.334 20.503 -9.774 1.00 24.41 H new ATOM 0 HB2 ARG A 574 5.699 20.204 -10.044 1.00 75.52 H new ATOM 0 HB3 ARG A 574 5.732 20.195 -8.291 1.00 75.52 H new ATOM 0 HG2 ARG A 574 5.320 22.454 -9.020 1.00 11.44 H new ATOM 0 HG3 ARG A 574 6.930 22.394 -8.330 1.00 11.44 H new ATOM 0 HD2 ARG A 574 7.985 22.492 -10.454 1.00 3.43 H new ATOM 0 HD3 ARG A 574 6.532 22.002 -11.304 1.00 3.43 H new ATOM 0 HE ARG A 574 7.266 24.705 -10.503 1.00 72.25 H new ATOM 0 HH11 ARG A 574 4.577 22.526 -11.199 1.00 23.53 H new ATOM 0 HH12 ARG A 574 3.478 23.836 -11.642 1.00 23.53 H new ATOM 0 HH21 ARG A 574 5.848 26.382 -11.070 1.00 14.42 H new ATOM 0 HH22 ARG A 574 4.195 26.011 -11.569 1.00 14.42 H new ATOM 210 N ARG A 575 8.692 20.834 -7.236 1.00 55.32 N ATOM 211 CA ARG A 575 9.240 20.833 -5.885 1.00 10.21 C ATOM 212 C ARG A 575 8.142 21.069 -4.853 1.00 73.14 C ATOM 213 O ARG A 575 8.233 21.984 -4.033 1.00 70.01 O ATOM 214 CB ARG A 575 10.321 21.907 -5.750 1.00 21.52 C ATOM 215 CG ARG A 575 9.847 23.301 -6.127 1.00 3.55 C ATOM 216 CD ARG A 575 10.859 24.361 -5.725 1.00 11.33 C ATOM 217 NE ARG A 575 10.289 25.705 -5.769 1.00 51.11 N ATOM 218 CZ ARG A 575 11.020 26.811 -5.852 1.00 63.21 C ATOM 219 NH1 ARG A 575 12.343 26.733 -5.902 1.00 71.34 N ATOM 220 NH2 ARG A 575 10.428 27.998 -5.886 1.00 32.53 N ATOM 0 H ARG A 575 8.732 21.738 -7.707 1.00 55.32 H new ATOM 0 HA ARG A 575 9.684 19.855 -5.700 1.00 10.21 H new ATOM 0 HB2 ARG A 575 10.681 21.921 -4.721 1.00 21.52 H new ATOM 0 HB3 ARG A 575 11.169 21.638 -6.380 1.00 21.52 H new ATOM 0 HG2 ARG A 575 9.675 23.350 -7.202 1.00 3.55 H new ATOM 0 HG3 ARG A 575 8.892 23.505 -5.642 1.00 3.55 H new ATOM 0 HD2 ARG A 575 11.221 24.153 -4.718 1.00 11.33 H new ATOM 0 HD3 ARG A 575 11.721 24.311 -6.390 1.00 11.33 H new ATOM 0 HE ARG A 575 9.274 25.800 -5.734 1.00 51.11 H new ATOM 0 HH11 ARG A 575 12.801 25.822 -5.877 1.00 71.34 H new ATOM 0 HH12 ARG A 575 12.902 27.584 -5.966 1.00 71.34 H new ATOM 0 HH21 ARG A 575 9.411 28.062 -5.848 1.00 32.53 H new ATOM 0 HH22 ARG A 575 10.990 28.847 -5.950 1.00 32.53 H new ATOM 231 N ILE A 576 7.105 20.239 -4.899 1.00 43.22 N ATOM 232 CA ILE A 576 5.990 20.357 -3.967 1.00 54.21 C ATOM 233 C ILE A 576 6.350 19.779 -2.603 1.00 62.12 C ATOM 234 O ILE A 576 7.387 19.135 -2.444 1.00 13.14 O ATOM 235 CB ILE A 576 4.733 19.644 -4.500 1.00 10.23 C ATOM 236 CG1 ILE A 576 5.021 18.158 -4.725 1.00 41.32 C ATOM 237 CG2 ILE A 576 4.259 20.298 -5.788 1.00 11.45 C ATOM 238 CD1 ILE A 576 3.781 17.338 -5.005 1.00 11.23 C ATOM 0 H ILE A 576 7.014 19.478 -5.572 1.00 43.22 H new ATOM 0 HA ILE A 576 5.777 21.421 -3.863 1.00 54.21 H new ATOM 0 HB ILE A 576 3.940 19.733 -3.758 1.00 10.23 H new ATOM 0 HG12 ILE A 576 5.713 18.053 -5.561 1.00 41.32 H new ATOM 0 HG13 ILE A 576 5.522 17.756 -3.844 1.00 41.32 H new ATOM 0 HG21 ILE A 576 3.370 19.783 -6.152 1.00 11.45 H new ATOM 0 HG22 ILE A 576 4.020 21.344 -5.598 1.00 11.45 H new ATOM 0 HG23 ILE A 576 5.047 20.236 -6.539 1.00 11.45 H new ATOM 0 HD11 ILE A 576 4.061 16.295 -5.154 1.00 11.23 H new ATOM 0 HD12 ILE A 576 3.097 17.413 -4.160 1.00 11.23 H new ATOM 0 HD13 ILE A 576 3.291 17.714 -5.903 1.00 11.23 H new ATOM 249 N ARG A 577 5.485 20.012 -1.621 1.00 52.40 N ATOM 250 CA ARG A 577 5.711 19.514 -0.269 1.00 11.53 C ATOM 251 C ARG A 577 4.501 18.731 0.230 1.00 41.33 C ATOM 252 O ARG A 577 3.994 18.983 1.324 1.00 10.42 O ATOM 253 CB ARG A 577 6.009 20.675 0.681 1.00 64.13 C ATOM 254 CG ARG A 577 4.892 21.702 0.758 1.00 12.23 C ATOM 255 CD ARG A 577 5.442 23.113 0.888 1.00 74.15 C ATOM 256 NE ARG A 577 6.459 23.211 1.931 1.00 61.41 N ATOM 257 CZ ARG A 577 7.181 24.304 2.154 1.00 41.01 C ATOM 258 NH1 ARG A 577 6.998 25.386 1.411 1.00 43.04 N ATOM 259 NH2 ARG A 577 8.088 24.314 3.123 1.00 13.22 N ATOM 0 H ARG A 577 4.621 20.542 -1.736 1.00 52.40 H new ATOM 0 HA ARG A 577 6.571 18.844 -0.293 1.00 11.53 H new ATOM 0 HB2 ARG A 577 6.195 20.278 1.679 1.00 64.13 H new ATOM 0 HB3 ARG A 577 6.925 21.171 0.359 1.00 64.13 H new ATOM 0 HG2 ARG A 577 4.271 21.633 -0.135 1.00 12.23 H new ATOM 0 HG3 ARG A 577 4.250 21.480 1.611 1.00 12.23 H new ATOM 0 HD2 ARG A 577 5.869 23.424 -0.065 1.00 74.15 H new ATOM 0 HD3 ARG A 577 4.626 23.801 1.112 1.00 74.15 H new ATOM 0 HE ARG A 577 6.624 22.396 2.521 1.00 61.41 H new ATOM 0 HH11 ARG A 577 6.302 25.381 0.666 1.00 43.04 H new ATOM 0 HH12 ARG A 577 7.554 26.224 1.584 1.00 43.04 H new ATOM 0 HH21 ARG A 577 8.231 23.483 3.696 1.00 13.22 H new ATOM 0 HH22 ARG A 577 8.642 25.153 3.294 1.00 13.22 H new ATOM 270 N ARG A 578 4.042 17.781 -0.577 1.00 30.04 N ATOM 271 CA ARG A 578 2.890 16.962 -0.218 1.00 22.55 C ATOM 272 C ARG A 578 3.300 15.506 -0.018 1.00 62.25 C ATOM 273 O ARG A 578 4.346 15.059 -0.488 1.00 3.11 O ATOM 274 CB ARG A 578 1.814 17.056 -1.300 1.00 42.44 C ATOM 275 CG ARG A 578 0.780 18.139 -1.038 1.00 61.12 C ATOM 276 CD ARG A 578 -0.474 17.926 -1.872 1.00 31.31 C ATOM 277 NE ARG A 578 -1.574 18.783 -1.436 1.00 15.14 N ATOM 278 CZ ARG A 578 -2.349 18.510 -0.393 1.00 14.34 C ATOM 279 NH1 ARG A 578 -2.147 17.410 0.317 1.00 45.41 N ATOM 280 NH2 ARG A 578 -3.330 19.339 -0.060 1.00 61.23 N ATOM 0 H ARG A 578 4.450 17.559 -1.485 1.00 30.04 H new ATOM 0 HA ARG A 578 2.485 17.340 0.721 1.00 22.55 H new ATOM 0 HB2 ARG A 578 2.292 17.247 -2.261 1.00 42.44 H new ATOM 0 HB3 ARG A 578 1.308 16.094 -1.382 1.00 42.44 H new ATOM 0 HG2 ARG A 578 0.518 18.145 0.020 1.00 61.12 H new ATOM 0 HG3 ARG A 578 1.208 19.115 -1.266 1.00 61.12 H new ATOM 0 HD2 ARG A 578 -0.251 18.127 -2.920 1.00 31.31 H new ATOM 0 HD3 ARG A 578 -0.780 16.882 -1.806 1.00 31.31 H new ATOM 0 HE ARG A 578 -1.757 19.638 -1.962 1.00 15.14 H new ATOM 0 HH11 ARG A 578 -1.394 16.770 0.063 1.00 45.41 H new ATOM 0 HH12 ARG A 578 -2.744 17.203 1.118 1.00 45.41 H new ATOM 0 HH21 ARG A 578 -3.489 20.186 -0.605 1.00 61.23 H new ATOM 0 HH22 ARG A 578 -3.925 19.129 0.741 1.00 61.23 H new ATOM 291 N PRO A 579 2.457 14.747 0.698 1.00 63.33 N ATOM 292 CA PRO A 579 2.709 13.330 0.978 1.00 34.13 C ATOM 293 C PRO A 579 2.586 12.462 -0.270 1.00 10.03 C ATOM 294 O PRO A 579 2.479 12.973 -1.385 1.00 24.23 O ATOM 295 CB PRO A 579 1.620 12.968 1.991 1.00 31.15 C ATOM 296 CG PRO A 579 0.522 13.940 1.729 1.00 75.44 C ATOM 297 CD PRO A 579 1.192 15.214 1.290 1.00 43.54 C ATOM 0 HA PRO A 579 3.722 13.161 1.343 1.00 34.13 H new ATOM 0 HB2 PRO A 579 1.280 11.941 1.857 1.00 31.15 H new ATOM 0 HB3 PRO A 579 1.987 13.051 3.014 1.00 31.15 H new ATOM 0 HG2 PRO A 579 -0.153 13.568 0.958 1.00 75.44 H new ATOM 0 HG3 PRO A 579 -0.077 14.103 2.625 1.00 75.44 H new ATOM 0 HD2 PRO A 579 0.586 15.758 0.566 1.00 43.54 H new ATOM 0 HD3 PRO A 579 1.365 15.887 2.130 1.00 43.54 H new ATOM 302 N PHE A 580 2.602 11.148 -0.075 1.00 33.40 N ATOM 303 CA PHE A 580 2.492 10.209 -1.185 1.00 34.43 C ATOM 304 C PHE A 580 1.140 10.343 -1.879 1.00 40.24 C ATOM 305 O PHE A 580 0.121 10.592 -1.234 1.00 2.22 O ATOM 306 CB PHE A 580 2.684 8.775 -0.688 1.00 2.34 C ATOM 307 CG PHE A 580 1.890 8.457 0.546 1.00 25.41 C ATOM 308 CD1 PHE A 580 0.514 8.304 0.481 1.00 61.54 C ATOM 309 CD2 PHE A 580 2.519 8.311 1.772 1.00 24.41 C ATOM 310 CE1 PHE A 580 -0.219 8.011 1.616 1.00 31.42 C ATOM 311 CE2 PHE A 580 1.792 8.017 2.909 1.00 72.34 C ATOM 312 CZ PHE A 580 0.421 7.869 2.832 1.00 33.21 C ATOM 0 H PHE A 580 2.690 10.709 0.841 1.00 33.40 H new ATOM 0 HA PHE A 580 3.275 10.444 -1.906 1.00 34.43 H new ATOM 0 HB2 PHE A 580 2.400 8.083 -1.481 1.00 2.34 H new ATOM 0 HB3 PHE A 580 3.742 8.609 -0.483 1.00 2.34 H new ATOM 0 HD1 PHE A 580 0.009 8.415 -0.467 1.00 61.54 H new ATOM 0 HD2 PHE A 580 3.590 8.428 1.839 1.00 24.41 H new ATOM 0 HE1 PHE A 580 -1.291 7.893 1.552 1.00 31.42 H new ATOM 0 HE2 PHE A 580 2.295 7.903 3.858 1.00 72.34 H new ATOM 0 HZ PHE A 580 -0.150 7.643 3.721 1.00 33.21 H new ATOM 321 N SER A 581 1.138 10.175 -3.197 1.00 14.33 N ATOM 322 CA SER A 581 -0.087 10.281 -3.980 1.00 54.11 C ATOM 323 C SER A 581 -0.558 8.905 -4.443 1.00 32.20 C ATOM 324 O SER A 581 0.052 7.886 -4.117 1.00 20.20 O ATOM 325 CB SER A 581 0.132 11.191 -5.190 1.00 34.04 C ATOM 326 OG SER A 581 0.796 12.386 -4.817 1.00 75.13 O ATOM 0 H SER A 581 1.972 9.965 -3.746 1.00 14.33 H new ATOM 0 HA SER A 581 -0.858 10.715 -3.343 1.00 54.11 H new ATOM 0 HB2 SER A 581 0.719 10.665 -5.943 1.00 34.04 H new ATOM 0 HB3 SER A 581 -0.828 11.432 -5.646 1.00 34.04 H new ATOM 0 HG SER A 581 0.925 12.949 -5.609 1.00 75.13 H new ATOM 331 N VAL A 582 -1.647 8.884 -5.205 1.00 34.41 N ATOM 332 CA VAL A 582 -2.200 7.634 -5.714 1.00 72.51 C ATOM 333 C VAL A 582 -1.126 6.799 -6.404 1.00 72.15 C ATOM 334 O VAL A 582 -1.105 5.576 -6.282 1.00 22.41 O ATOM 335 CB VAL A 582 -3.350 7.893 -6.705 1.00 65.31 C ATOM 336 CG1 VAL A 582 -3.887 6.579 -7.253 1.00 75.23 C ATOM 337 CG2 VAL A 582 -4.457 8.694 -6.037 1.00 15.41 C ATOM 0 H VAL A 582 -2.164 9.718 -5.483 1.00 34.41 H new ATOM 0 HA VAL A 582 -2.587 7.085 -4.856 1.00 72.51 H new ATOM 0 HB VAL A 582 -2.964 8.477 -7.540 1.00 65.31 H new ATOM 0 HG11 VAL A 582 -4.699 6.781 -7.952 1.00 75.23 H new ATOM 0 HG12 VAL A 582 -3.088 6.046 -7.769 1.00 75.23 H new ATOM 0 HG13 VAL A 582 -4.259 5.967 -6.431 1.00 75.23 H new ATOM 0 HG21 VAL A 582 -5.262 8.868 -6.751 1.00 15.41 H new ATOM 0 HG22 VAL A 582 -4.844 8.138 -5.183 1.00 15.41 H new ATOM 0 HG23 VAL A 582 -4.060 9.651 -5.697 1.00 15.41 H new ATOM 347 N ALA A 583 -0.238 7.471 -7.128 1.00 33.31 N ATOM 348 CA ALA A 583 0.841 6.791 -7.836 1.00 51.53 C ATOM 349 C ALA A 583 1.864 6.221 -6.860 1.00 50.02 C ATOM 350 O ALA A 583 2.411 5.141 -7.082 1.00 63.12 O ATOM 351 CB ALA A 583 1.514 7.745 -8.813 1.00 64.33 C ATOM 0 H ALA A 583 -0.244 8.485 -7.240 1.00 33.31 H new ATOM 0 HA ALA A 583 0.410 5.961 -8.395 1.00 51.53 H new ATOM 0 HB1 ALA A 583 2.317 7.225 -9.335 1.00 64.33 H new ATOM 0 HB2 ALA A 583 0.781 8.100 -9.538 1.00 64.33 H new ATOM 0 HB3 ALA A 583 1.926 8.594 -8.267 1.00 64.33 H new ATOM 357 N GLU A 584 2.119 6.954 -5.780 1.00 4.43 N ATOM 358 CA GLU A 584 3.078 6.519 -4.772 1.00 12.01 C ATOM 359 C GLU A 584 2.529 5.343 -3.970 1.00 22.02 C ATOM 360 O GLU A 584 3.191 4.316 -3.820 1.00 11.32 O ATOM 361 CB GLU A 584 3.423 7.676 -3.832 1.00 51.34 C ATOM 362 CG GLU A 584 4.248 8.769 -4.489 1.00 32.42 C ATOM 363 CD GLU A 584 5.304 9.340 -3.561 1.00 52.23 C ATOM 364 OE1 GLU A 584 5.887 8.564 -2.777 1.00 44.13 O ATOM 365 OE2 GLU A 584 5.546 10.564 -3.621 1.00 40.35 O ATOM 0 H GLU A 584 1.675 7.851 -5.581 1.00 4.43 H new ATOM 0 HA GLU A 584 3.984 6.195 -5.285 1.00 12.01 H new ATOM 0 HB2 GLU A 584 2.499 8.110 -3.450 1.00 51.34 H new ATOM 0 HB3 GLU A 584 3.970 7.285 -2.974 1.00 51.34 H new ATOM 0 HG2 GLU A 584 4.731 8.369 -5.380 1.00 32.42 H new ATOM 0 HG3 GLU A 584 3.587 9.571 -4.818 1.00 32.42 H new ATOM 370 N VAL A 585 1.314 5.502 -3.454 1.00 71.41 N ATOM 371 CA VAL A 585 0.675 4.455 -2.666 1.00 4.34 C ATOM 372 C VAL A 585 0.643 3.135 -3.430 1.00 12.43 C ATOM 373 O VAL A 585 0.751 2.062 -2.839 1.00 21.21 O ATOM 374 CB VAL A 585 -0.763 4.844 -2.276 1.00 42.12 C ATOM 375 CG1 VAL A 585 -1.417 3.734 -1.467 1.00 32.34 C ATOM 376 CG2 VAL A 585 -0.767 6.153 -1.501 1.00 53.11 C ATOM 0 H VAL A 585 0.753 6.346 -3.568 1.00 71.41 H new ATOM 0 HA VAL A 585 1.269 4.334 -1.760 1.00 4.34 H new ATOM 0 HB VAL A 585 -1.343 4.985 -3.188 1.00 42.12 H new ATOM 0 HG11 VAL A 585 -2.432 4.028 -1.201 1.00 32.34 H new ATOM 0 HG12 VAL A 585 -1.447 2.820 -2.061 1.00 32.34 H new ATOM 0 HG13 VAL A 585 -0.841 3.558 -0.559 1.00 32.34 H new ATOM 0 HG21 VAL A 585 -1.791 6.414 -1.233 1.00 53.11 H new ATOM 0 HG22 VAL A 585 -0.172 6.041 -0.595 1.00 53.11 H new ATOM 0 HG23 VAL A 585 -0.341 6.943 -2.119 1.00 53.11 H new ATOM 386 N GLU A 586 0.492 3.224 -4.749 1.00 73.13 N ATOM 387 CA GLU A 586 0.445 2.037 -5.594 1.00 61.21 C ATOM 388 C GLU A 586 1.643 1.131 -5.325 1.00 12.30 C ATOM 389 O GLU A 586 1.522 -0.093 -5.329 1.00 1.55 O ATOM 390 CB GLU A 586 0.413 2.436 -7.071 1.00 73.30 C ATOM 391 CG GLU A 586 -0.964 2.852 -7.559 1.00 13.44 C ATOM 392 CD GLU A 586 -0.902 3.790 -8.749 1.00 2.33 C ATOM 393 OE1 GLU A 586 -0.007 3.611 -9.600 1.00 23.14 O ATOM 394 OE2 GLU A 586 -1.751 4.702 -8.830 1.00 42.03 O ATOM 0 H GLU A 586 0.400 4.105 -5.254 1.00 73.13 H new ATOM 0 HA GLU A 586 -0.465 1.487 -5.355 1.00 61.21 H new ATOM 0 HB2 GLU A 586 1.110 3.258 -7.232 1.00 73.30 H new ATOM 0 HB3 GLU A 586 0.765 1.598 -7.673 1.00 73.30 H new ATOM 0 HG2 GLU A 586 -1.533 1.963 -7.831 1.00 13.44 H new ATOM 0 HG3 GLU A 586 -1.502 3.338 -6.745 1.00 13.44 H new ATOM 399 N ALA A 587 2.800 1.742 -5.094 1.00 63.32 N ATOM 400 CA ALA A 587 4.019 0.992 -4.822 1.00 21.34 C ATOM 401 C ALA A 587 3.888 0.175 -3.542 1.00 63.24 C ATOM 402 O ALA A 587 4.464 -0.907 -3.421 1.00 11.21 O ATOM 403 CB ALA A 587 5.210 1.935 -4.730 1.00 72.41 C ATOM 0 H ALA A 587 2.918 2.755 -5.090 1.00 63.32 H new ATOM 0 HA ALA A 587 4.181 0.299 -5.648 1.00 21.34 H new ATOM 0 HB1 ALA A 587 6.114 1.361 -4.526 1.00 72.41 H new ATOM 0 HB2 ALA A 587 5.324 2.470 -5.673 1.00 72.41 H new ATOM 0 HB3 ALA A 587 5.046 2.651 -3.925 1.00 72.41 H new ATOM 409 N LEU A 588 3.129 0.699 -2.586 1.00 75.14 N ATOM 410 CA LEU A 588 2.923 0.019 -1.312 1.00 1.30 C ATOM 411 C LEU A 588 2.030 -1.205 -1.488 1.00 62.40 C ATOM 412 O LEU A 588 2.409 -2.319 -1.125 1.00 44.41 O ATOM 413 CB LEU A 588 2.300 0.977 -0.295 1.00 50.51 C ATOM 414 CG LEU A 588 2.465 0.593 1.176 1.00 73.40 C ATOM 415 CD1 LEU A 588 1.707 -0.688 1.482 1.00 62.21 C ATOM 416 CD2 LEU A 588 3.939 0.441 1.525 1.00 1.22 C ATOM 0 H LEU A 588 2.646 1.593 -2.669 1.00 75.14 H new ATOM 0 HA LEU A 588 3.894 -0.312 -0.943 1.00 1.30 H new ATOM 0 HB2 LEU A 588 2.735 1.965 -0.443 1.00 50.51 H new ATOM 0 HB3 LEU A 588 1.235 1.062 -0.511 1.00 50.51 H new ATOM 0 HG LEU A 588 2.048 1.392 1.789 1.00 73.40 H new ATOM 0 HD11 LEU A 588 1.836 -0.945 2.533 1.00 62.21 H new ATOM 0 HD12 LEU A 588 0.647 -0.543 1.272 1.00 62.21 H new ATOM 0 HD13 LEU A 588 2.093 -1.496 0.861 1.00 62.21 H new ATOM 0 HD21 LEU A 588 4.038 0.168 2.576 1.00 1.22 H new ATOM 0 HD22 LEU A 588 4.381 -0.338 0.904 1.00 1.22 H new ATOM 0 HD23 LEU A 588 4.455 1.384 1.346 1.00 1.22 H new ATOM 427 N VAL A 589 0.844 -0.992 -2.048 1.00 73.24 N ATOM 428 CA VAL A 589 -0.101 -2.079 -2.275 1.00 60.22 C ATOM 429 C VAL A 589 0.463 -3.102 -3.253 1.00 23.32 C ATOM 430 O VAL A 589 0.393 -4.308 -3.014 1.00 51.22 O ATOM 431 CB VAL A 589 -1.443 -1.551 -2.818 1.00 31.42 C ATOM 432 CG1 VAL A 589 -1.221 -0.714 -4.068 1.00 32.30 C ATOM 433 CG2 VAL A 589 -2.392 -2.705 -3.102 1.00 42.30 C ATOM 0 H VAL A 589 0.514 -0.076 -2.353 1.00 73.24 H new ATOM 0 HA VAL A 589 -0.270 -2.558 -1.311 1.00 60.22 H new ATOM 0 HB VAL A 589 -1.897 -0.914 -2.059 1.00 31.42 H new ATOM 0 HG11 VAL A 589 -2.180 -0.350 -4.437 1.00 32.30 H new ATOM 0 HG12 VAL A 589 -0.579 0.133 -3.829 1.00 32.30 H new ATOM 0 HG13 VAL A 589 -0.745 -1.325 -4.835 1.00 32.30 H new ATOM 0 HG21 VAL A 589 -3.335 -2.315 -3.485 1.00 42.30 H new ATOM 0 HG22 VAL A 589 -1.946 -3.369 -3.843 1.00 42.30 H new ATOM 0 HG23 VAL A 589 -2.576 -3.260 -2.182 1.00 42.30 H new ATOM 443 N GLU A 590 1.024 -2.614 -4.355 1.00 33.32 N ATOM 444 CA GLU A 590 1.601 -3.488 -5.370 1.00 60.05 C ATOM 445 C GLU A 590 2.598 -4.461 -4.747 1.00 40.25 C ATOM 446 O GLU A 590 2.554 -5.662 -5.008 1.00 25.51 O ATOM 447 CB GLU A 590 2.291 -2.660 -6.456 1.00 53.35 C ATOM 448 CG GLU A 590 1.327 -2.050 -7.461 1.00 64.51 C ATOM 449 CD GLU A 590 1.916 -0.854 -8.181 1.00 35.45 C ATOM 450 OE1 GLU A 590 3.009 -0.398 -7.781 1.00 44.05 O ATOM 451 OE2 GLU A 590 1.287 -0.372 -9.146 1.00 45.23 O ATOM 0 H GLU A 590 1.091 -1.619 -4.568 1.00 33.32 H new ATOM 0 HA GLU A 590 0.792 -4.062 -5.821 1.00 60.05 H new ATOM 0 HB2 GLU A 590 2.864 -1.862 -5.984 1.00 53.35 H new ATOM 0 HB3 GLU A 590 3.003 -3.293 -6.986 1.00 53.35 H new ATOM 0 HG2 GLU A 590 1.044 -2.807 -8.193 1.00 64.51 H new ATOM 0 HG3 GLU A 590 0.415 -1.747 -6.947 1.00 64.51 H new ATOM 456 N ALA A 591 3.497 -3.932 -3.923 1.00 41.02 N ATOM 457 CA ALA A 591 4.504 -4.753 -3.262 1.00 61.05 C ATOM 458 C ALA A 591 3.864 -5.694 -2.247 1.00 0.34 C ATOM 459 O ALA A 591 4.316 -6.824 -2.063 1.00 0.14 O ATOM 460 CB ALA A 591 5.541 -3.870 -2.585 1.00 22.44 C ATOM 0 H ALA A 591 3.548 -2.939 -3.697 1.00 41.02 H new ATOM 0 HA ALA A 591 4.998 -5.360 -4.020 1.00 61.05 H new ATOM 0 HB1 ALA A 591 6.287 -4.495 -2.095 1.00 22.44 H new ATOM 0 HB2 ALA A 591 6.027 -3.242 -3.332 1.00 22.44 H new ATOM 0 HB3 ALA A 591 5.053 -3.239 -1.843 1.00 22.44 H new ATOM 466 N VAL A 592 2.810 -5.221 -1.590 1.00 60.43 N ATOM 467 CA VAL A 592 2.108 -6.022 -0.593 1.00 11.43 C ATOM 468 C VAL A 592 1.339 -7.164 -1.248 1.00 51.44 C ATOM 469 O VAL A 592 1.111 -8.204 -0.632 1.00 51.42 O ATOM 470 CB VAL A 592 1.129 -5.162 0.228 1.00 24.00 C ATOM 471 CG1 VAL A 592 0.091 -6.040 0.911 1.00 1.55 C ATOM 472 CG2 VAL A 592 1.884 -4.324 1.249 1.00 73.14 C ATOM 0 H VAL A 592 2.423 -4.288 -1.730 1.00 60.43 H new ATOM 0 HA VAL A 592 2.865 -6.434 0.074 1.00 11.43 H new ATOM 0 HB VAL A 592 0.609 -4.486 -0.451 1.00 24.00 H new ATOM 0 HG11 VAL A 592 -0.592 -5.415 1.486 1.00 1.55 H new ATOM 0 HG12 VAL A 592 -0.470 -6.593 0.158 1.00 1.55 H new ATOM 0 HG13 VAL A 592 0.591 -6.742 1.579 1.00 1.55 H new ATOM 0 HG21 VAL A 592 1.177 -3.722 1.820 1.00 73.14 H new ATOM 0 HG22 VAL A 592 2.431 -4.981 1.925 1.00 73.14 H new ATOM 0 HG23 VAL A 592 2.585 -3.668 0.734 1.00 73.14 H new ATOM 482 N GLU A 593 0.943 -6.961 -2.501 1.00 11.13 N ATOM 483 CA GLU A 593 0.199 -7.975 -3.239 1.00 15.33 C ATOM 484 C GLU A 593 1.118 -9.110 -3.682 1.00 42.02 C ATOM 485 O GLU A 593 0.719 -10.274 -3.702 1.00 64.23 O ATOM 486 CB GLU A 593 -0.483 -7.351 -4.459 1.00 41.25 C ATOM 487 CG GLU A 593 -1.977 -7.136 -4.278 1.00 31.43 C ATOM 488 CD GLU A 593 -2.756 -7.344 -5.562 1.00 31.41 C ATOM 489 OE1 GLU A 593 -2.155 -7.208 -6.649 1.00 62.12 O ATOM 490 OE2 GLU A 593 -3.965 -7.643 -5.481 1.00 71.15 O ATOM 0 H GLU A 593 1.125 -6.105 -3.025 1.00 11.13 H new ATOM 0 HA GLU A 593 -0.562 -8.385 -2.575 1.00 15.33 H new ATOM 0 HB2 GLU A 593 -0.011 -6.393 -4.679 1.00 41.25 H new ATOM 0 HB3 GLU A 593 -0.319 -7.993 -5.324 1.00 41.25 H new ATOM 0 HG2 GLU A 593 -2.349 -7.821 -3.517 1.00 31.43 H new ATOM 0 HG3 GLU A 593 -2.153 -6.125 -3.910 1.00 31.43 H new ATOM 495 N HIS A 594 2.350 -8.762 -4.037 1.00 34.44 N ATOM 496 CA HIS A 594 3.327 -9.751 -4.479 1.00 53.23 C ATOM 497 C HIS A 594 4.060 -10.360 -3.289 1.00 63.54 C ATOM 498 O HIS A 594 4.184 -11.580 -3.181 1.00 21.13 O ATOM 499 CB HIS A 594 4.331 -9.112 -5.439 1.00 10.34 C ATOM 500 CG HIS A 594 5.064 -10.106 -6.287 1.00 33.03 C ATOM 501 ND1 HIS A 594 5.461 -11.342 -5.823 1.00 1.13 N ATOM 502 CD2 HIS A 594 5.470 -10.041 -7.577 1.00 43.41 C ATOM 503 CE1 HIS A 594 6.081 -11.994 -6.792 1.00 65.03 C ATOM 504 NE2 HIS A 594 6.100 -11.227 -7.866 1.00 53.04 N ATOM 0 H HIS A 594 2.696 -7.803 -4.027 1.00 34.44 H new ATOM 0 HA HIS A 594 2.793 -10.546 -4.999 1.00 53.23 H new ATOM 0 HB2 HIS A 594 3.806 -8.411 -6.087 1.00 10.34 H new ATOM 0 HB3 HIS A 594 5.054 -8.534 -4.864 1.00 10.34 H new ATOM 0 HD1 HIS A 594 5.302 -11.698 -4.880 1.00 1.13 H new ATOM 0 HD2 HIS A 594 5.325 -9.211 -8.253 1.00 43.41 H new ATOM 0 HE1 HIS A 594 6.501 -12.986 -6.717 1.00 65.03 H new ATOM 511 N LEU A 595 4.546 -9.503 -2.397 1.00 73.13 N ATOM 512 CA LEU A 595 5.268 -9.957 -1.215 1.00 65.54 C ATOM 513 C LEU A 595 4.301 -10.412 -0.126 1.00 40.32 C ATOM 514 O LEU A 595 4.651 -11.221 0.733 1.00 12.31 O ATOM 515 CB LEU A 595 6.165 -8.839 -0.679 1.00 75.34 C ATOM 516 CG LEU A 595 7.428 -8.545 -1.489 1.00 1.41 C ATOM 517 CD1 LEU A 595 8.194 -9.829 -1.767 1.00 22.24 C ATOM 518 CD2 LEU A 595 7.074 -7.841 -2.791 1.00 12.31 C ATOM 0 H LEU A 595 4.453 -8.490 -2.471 1.00 73.13 H new ATOM 0 HA LEU A 595 5.888 -10.806 -1.504 1.00 65.54 H new ATOM 0 HB2 LEU A 595 5.575 -7.924 -0.619 1.00 75.34 H new ATOM 0 HB3 LEU A 595 6.461 -9.095 0.338 1.00 75.34 H new ATOM 0 HG LEU A 595 8.067 -7.884 -0.903 1.00 1.41 H new ATOM 0 HD11 LEU A 595 9.090 -9.601 -2.344 1.00 22.24 H new ATOM 0 HD12 LEU A 595 8.479 -10.294 -0.823 1.00 22.24 H new ATOM 0 HD13 LEU A 595 7.563 -10.514 -2.333 1.00 22.24 H new ATOM 0 HD21 LEU A 595 7.985 -7.639 -3.355 1.00 12.31 H new ATOM 0 HD22 LEU A 595 6.415 -8.478 -3.381 1.00 12.31 H new ATOM 0 HD23 LEU A 595 6.568 -6.901 -2.570 1.00 12.31 H new ATOM 529 N GLY A 596 3.079 -9.888 -0.171 1.00 1.01 N ATOM 530 CA GLY A 596 2.079 -10.254 0.814 1.00 44.14 C ATOM 531 C GLY A 596 2.122 -9.365 2.042 1.00 23.12 C ATOM 532 O GLY A 596 2.692 -8.275 2.010 1.00 21.24 O ATOM 0 H GLY A 596 2.765 -9.217 -0.872 1.00 1.01 H new ATOM 0 HA2 GLY A 596 1.089 -10.196 0.361 1.00 44.14 H new ATOM 0 HA3 GLY A 596 2.231 -11.291 1.114 1.00 44.14 H new ATOM 536 N THR A 597 1.515 -9.831 3.130 1.00 24.10 N ATOM 537 CA THR A 597 1.484 -9.071 4.372 1.00 43.33 C ATOM 538 C THR A 597 2.409 -9.685 5.416 1.00 21.33 C ATOM 539 O THR A 597 2.193 -9.533 6.618 1.00 20.02 O ATOM 540 CB THR A 597 0.057 -8.995 4.949 1.00 32.51 C ATOM 541 OG1 THR A 597 -0.556 -10.288 4.909 1.00 3.52 O ATOM 542 CG2 THR A 597 -0.789 -8.001 4.169 1.00 2.11 C ATOM 0 H THR A 597 1.038 -10.732 3.175 1.00 24.10 H new ATOM 0 HA THR A 597 1.826 -8.064 4.134 1.00 43.33 H new ATOM 0 HB THR A 597 0.123 -8.657 5.983 1.00 32.51 H new ATOM 0 HG1 THR A 597 -1.462 -10.232 5.279 1.00 3.52 H new ATOM 0 HG21 THR A 597 -1.792 -7.964 4.594 1.00 2.11 H new ATOM 0 HG22 THR A 597 -0.334 -7.012 4.226 1.00 2.11 H new ATOM 0 HG23 THR A 597 -0.848 -8.313 3.126 1.00 2.11 H new ATOM 550 N GLY A 598 3.443 -10.378 4.950 1.00 32.05 N ATOM 551 CA GLY A 598 4.388 -11.004 5.856 1.00 41.12 C ATOM 552 C GLY A 598 5.828 -10.698 5.496 1.00 42.32 C ATOM 553 O GLY A 598 6.753 -11.158 6.166 1.00 20.14 O ATOM 0 H GLY A 598 3.643 -10.517 3.960 1.00 32.05 H new ATOM 0 HA2 GLY A 598 4.191 -10.664 6.873 1.00 41.12 H new ATOM 0 HA3 GLY A 598 4.236 -12.083 5.846 1.00 41.12 H new ATOM 557 N ARG A 599 6.018 -9.922 4.434 1.00 70.32 N ATOM 558 CA ARG A 599 7.357 -9.558 3.985 1.00 73.01 C ATOM 559 C ARG A 599 7.502 -8.043 3.881 1.00 32.00 C ATOM 560 O ARG A 599 7.409 -7.473 2.794 1.00 51.54 O ATOM 561 CB ARG A 599 7.655 -10.203 2.630 1.00 20.34 C ATOM 562 CG ARG A 599 8.094 -11.655 2.731 1.00 34.23 C ATOM 563 CD ARG A 599 8.569 -12.187 1.388 1.00 24.35 C ATOM 564 NE ARG A 599 7.459 -12.646 0.557 1.00 43.44 N ATOM 565 CZ ARG A 599 6.753 -13.742 0.813 1.00 71.32 C ATOM 566 NH1 ARG A 599 7.040 -14.487 1.872 1.00 52.52 N ATOM 567 NH2 ARG A 599 5.757 -14.094 0.011 1.00 55.44 N ATOM 0 H ARG A 599 5.263 -9.534 3.869 1.00 70.32 H new ATOM 0 HA ARG A 599 8.073 -9.925 4.721 1.00 73.01 H new ATOM 0 HB2 ARG A 599 6.764 -10.144 2.005 1.00 20.34 H new ATOM 0 HB3 ARG A 599 8.435 -9.630 2.128 1.00 20.34 H new ATOM 0 HG2 ARG A 599 8.896 -11.744 3.463 1.00 34.23 H new ATOM 0 HG3 ARG A 599 7.264 -12.263 3.092 1.00 34.23 H new ATOM 0 HD2 ARG A 599 9.117 -11.405 0.862 1.00 24.35 H new ATOM 0 HD3 ARG A 599 9.265 -13.010 1.550 1.00 24.35 H new ATOM 0 HE ARG A 599 7.212 -12.095 -0.265 1.00 43.44 H new ATOM 0 HH11 ARG A 599 7.804 -14.219 2.492 1.00 52.52 H new ATOM 0 HH12 ARG A 599 6.496 -15.328 2.066 1.00 52.52 H new ATOM 0 HH21 ARG A 599 5.532 -13.523 -0.804 1.00 55.44 H new ATOM 0 HH22 ARG A 599 5.216 -14.936 0.209 1.00 55.44 H new ATOM 578 N TRP A 600 7.731 -7.397 5.020 1.00 13.43 N ATOM 579 CA TRP A 600 7.889 -5.948 5.056 1.00 51.44 C ATOM 580 C TRP A 600 9.174 -5.521 4.356 1.00 12.33 C ATOM 581 O TRP A 600 9.160 -4.639 3.497 1.00 71.31 O ATOM 582 CB TRP A 600 7.894 -5.452 6.503 1.00 61.23 C ATOM 583 CG TRP A 600 6.763 -5.996 7.322 1.00 1.31 C ATOM 584 CD1 TRP A 600 5.486 -6.237 6.899 1.00 34.43 C ATOM 585 CD2 TRP A 600 6.806 -6.366 8.705 1.00 0.33 C ATOM 586 NE1 TRP A 600 4.733 -6.734 7.935 1.00 20.31 N ATOM 587 CE2 TRP A 600 5.520 -6.824 9.054 1.00 33.34 C ATOM 588 CE3 TRP A 600 7.805 -6.357 9.681 1.00 25.43 C ATOM 589 CZ2 TRP A 600 5.210 -7.266 10.337 1.00 34.24 C ATOM 590 CZ3 TRP A 600 7.497 -6.796 10.954 1.00 23.40 C ATOM 591 CH2 TRP A 600 6.209 -7.247 11.273 1.00 74.12 C ATOM 0 H TRP A 600 7.811 -7.853 5.929 1.00 13.43 H new ATOM 0 HA TRP A 600 7.046 -5.503 4.528 1.00 51.44 H new ATOM 0 HB2 TRP A 600 8.838 -5.730 6.971 1.00 61.23 H new ATOM 0 HB3 TRP A 600 7.844 -4.363 6.506 1.00 61.23 H new ATOM 0 HD1 TRP A 600 5.122 -6.062 5.897 1.00 34.43 H new ATOM 0 HE1 TRP A 600 3.748 -6.994 7.881 1.00 20.31 H new ATOM 0 HE3 TRP A 600 8.801 -6.013 9.445 1.00 25.43 H new ATOM 0 HZ2 TRP A 600 4.217 -7.611 10.585 1.00 34.24 H new ATOM 0 HZ3 TRP A 600 8.262 -6.792 11.717 1.00 23.40 H new ATOM 0 HH2 TRP A 600 6.000 -7.586 12.277 1.00 74.12 H new ATOM 601 N ARG A 601 10.283 -6.154 4.726 1.00 73.11 N ATOM 602 CA ARG A 601 11.577 -5.839 4.133 1.00 51.31 C ATOM 603 C ARG A 601 11.510 -5.914 2.611 1.00 3.45 C ATOM 604 O ARG A 601 11.961 -5.006 1.913 1.00 75.52 O ATOM 605 CB ARG A 601 12.648 -6.797 4.655 1.00 70.14 C ATOM 606 CG ARG A 601 12.781 -6.795 6.169 1.00 32.43 C ATOM 607 CD ARG A 601 13.805 -5.772 6.637 1.00 24.13 C ATOM 608 NE ARG A 601 15.132 -6.033 6.084 1.00 53.23 N ATOM 609 CZ ARG A 601 15.913 -7.027 6.488 1.00 65.00 C ATOM 610 NH1 ARG A 601 15.504 -7.852 7.443 1.00 50.22 N ATOM 611 NH2 ARG A 601 17.108 -7.200 5.937 1.00 12.13 N ATOM 0 H ARG A 601 10.311 -6.888 5.434 1.00 73.11 H new ATOM 0 HA ARG A 601 11.841 -4.821 4.418 1.00 51.31 H new ATOM 0 HB2 ARG A 601 12.414 -7.808 4.321 1.00 70.14 H new ATOM 0 HB3 ARG A 601 13.608 -6.530 4.214 1.00 70.14 H new ATOM 0 HG2 ARG A 601 11.813 -6.575 6.620 1.00 32.43 H new ATOM 0 HG3 ARG A 601 13.074 -7.788 6.511 1.00 32.43 H new ATOM 0 HD2 ARG A 601 13.480 -4.774 6.344 1.00 24.13 H new ATOM 0 HD3 ARG A 601 13.857 -5.783 7.726 1.00 24.13 H new ATOM 0 HE ARG A 601 15.477 -5.418 5.347 1.00 53.23 H new ATOM 0 HH11 ARG A 601 14.586 -7.724 7.869 1.00 50.22 H new ATOM 0 HH12 ARG A 601 16.107 -8.615 7.751 1.00 50.22 H new ATOM 0 HH21 ARG A 601 17.427 -6.569 5.202 1.00 12.13 H new ATOM 0 HH22 ARG A 601 17.707 -7.964 6.248 1.00 12.13 H new ATOM 622 N ASP A 602 10.944 -7.004 2.102 1.00 72.42 N ATOM 623 CA ASP A 602 10.817 -7.198 0.663 1.00 11.21 C ATOM 624 C ASP A 602 9.957 -6.103 0.040 1.00 33.01 C ATOM 625 O ASP A 602 10.242 -5.625 -1.059 1.00 34.21 O ATOM 626 CB ASP A 602 10.212 -8.571 0.363 1.00 31.43 C ATOM 627 CG ASP A 602 10.892 -9.684 1.136 1.00 42.43 C ATOM 628 OD1 ASP A 602 10.725 -9.735 2.373 1.00 41.11 O ATOM 629 OD2 ASP A 602 11.589 -10.504 0.504 1.00 41.33 O ATOM 0 H ASP A 602 10.566 -7.766 2.665 1.00 72.42 H new ATOM 0 HA ASP A 602 11.814 -7.145 0.225 1.00 11.21 H new ATOM 0 HB2 ASP A 602 9.150 -8.558 0.608 1.00 31.43 H new ATOM 0 HB3 ASP A 602 10.290 -8.774 -0.705 1.00 31.43 H new ATOM 633 N VAL A 603 8.904 -5.710 0.748 1.00 51.42 N ATOM 634 CA VAL A 603 8.002 -4.671 0.265 1.00 41.04 C ATOM 635 C VAL A 603 8.705 -3.320 0.199 1.00 3.44 C ATOM 636 O VAL A 603 8.396 -2.488 -0.654 1.00 72.11 O ATOM 637 CB VAL A 603 6.757 -4.545 1.164 1.00 23.02 C ATOM 638 CG1 VAL A 603 5.983 -3.280 0.830 1.00 53.14 C ATOM 639 CG2 VAL A 603 5.872 -5.775 1.021 1.00 43.05 C ATOM 0 H VAL A 603 8.654 -6.095 1.659 1.00 51.42 H new ATOM 0 HA VAL A 603 7.690 -4.965 -0.737 1.00 41.04 H new ATOM 0 HB VAL A 603 7.084 -4.478 2.202 1.00 23.02 H new ATOM 0 HG11 VAL A 603 5.107 -3.208 1.475 1.00 53.14 H new ATOM 0 HG12 VAL A 603 6.622 -2.411 0.987 1.00 53.14 H new ATOM 0 HG13 VAL A 603 5.664 -3.313 -0.212 1.00 53.14 H new ATOM 0 HG21 VAL A 603 4.997 -5.670 1.662 1.00 43.05 H new ATOM 0 HG22 VAL A 603 5.552 -5.874 -0.016 1.00 43.05 H new ATOM 0 HG23 VAL A 603 6.433 -6.663 1.314 1.00 43.05 H new ATOM 649 N LYS A 604 9.655 -3.109 1.104 1.00 11.42 N ATOM 650 CA LYS A 604 10.405 -1.859 1.149 1.00 24.23 C ATOM 651 C LYS A 604 11.243 -1.683 -0.114 1.00 62.45 C ATOM 652 O LYS A 604 11.243 -0.615 -0.725 1.00 61.23 O ATOM 653 CB LYS A 604 11.310 -1.828 2.383 1.00 12.44 C ATOM 654 CG LYS A 604 11.724 -0.426 2.797 1.00 1.22 C ATOM 655 CD LYS A 604 10.597 0.300 3.512 1.00 10.44 C ATOM 656 CE LYS A 604 10.915 1.776 3.697 1.00 10.32 C ATOM 657 NZ LYS A 604 9.918 2.453 4.572 1.00 11.14 N ATOM 0 H LYS A 604 9.924 -3.788 1.816 1.00 11.42 H new ATOM 0 HA LYS A 604 9.692 -1.037 1.209 1.00 24.23 H new ATOM 0 HB2 LYS A 604 10.793 -2.306 3.215 1.00 12.44 H new ATOM 0 HB3 LYS A 604 12.204 -2.418 2.183 1.00 12.44 H new ATOM 0 HG2 LYS A 604 12.595 -0.481 3.450 1.00 1.22 H new ATOM 0 HG3 LYS A 604 12.022 0.142 1.915 1.00 1.22 H new ATOM 0 HD2 LYS A 604 9.674 0.194 2.941 1.00 10.44 H new ATOM 0 HD3 LYS A 604 10.425 -0.161 4.485 1.00 10.44 H new ATOM 0 HE2 LYS A 604 11.910 1.882 4.130 1.00 10.32 H new ATOM 0 HE3 LYS A 604 10.937 2.267 2.724 1.00 10.32 H new ATOM 0 HZ1 LYS A 604 10.001 3.484 4.460 1.00 11.14 H new ATOM 0 HZ2 LYS A 604 8.959 2.152 4.304 1.00 11.14 H new ATOM 0 HZ3 LYS A 604 10.096 2.197 5.564 1.00 11.14 H new ATOM 667 N MET A 605 11.954 -2.737 -0.499 1.00 62.33 N ATOM 668 CA MET A 605 12.794 -2.699 -1.690 1.00 33.12 C ATOM 669 C MET A 605 11.943 -2.718 -2.956 1.00 31.13 C ATOM 670 O MET A 605 12.321 -2.144 -3.977 1.00 11.43 O ATOM 671 CB MET A 605 13.764 -3.881 -1.695 1.00 70.51 C ATOM 672 CG MET A 605 13.072 -5.235 -1.685 1.00 74.43 C ATOM 673 SD MET A 605 14.224 -6.605 -1.899 1.00 14.55 S ATOM 674 CE MET A 605 13.971 -6.992 -3.629 1.00 3.54 C ATOM 0 H MET A 605 11.965 -3.628 -0.003 1.00 62.33 H new ATOM 0 HA MET A 605 13.365 -1.771 -1.671 1.00 33.12 H new ATOM 0 HB2 MET A 605 14.401 -3.814 -2.577 1.00 70.51 H new ATOM 0 HB3 MET A 605 14.416 -3.809 -0.825 1.00 70.51 H new ATOM 0 HG2 MET A 605 12.537 -5.359 -0.743 1.00 74.43 H new ATOM 0 HG3 MET A 605 12.327 -5.264 -2.480 1.00 74.43 H new ATOM 0 HE1 MET A 605 14.616 -7.823 -3.914 1.00 3.54 H new ATOM 0 HE2 MET A 605 12.929 -7.269 -3.791 1.00 3.54 H new ATOM 0 HE3 MET A 605 14.213 -6.120 -4.236 1.00 3.54 H new ATOM 682 N ARG A 606 10.794 -3.381 -2.882 1.00 63.42 N ATOM 683 CA ARG A 606 9.891 -3.476 -4.022 1.00 23.13 C ATOM 684 C ARG A 606 9.173 -2.151 -4.259 1.00 20.22 C ATOM 685 O ARG A 606 9.000 -1.723 -5.399 1.00 23.42 O ATOM 686 CB ARG A 606 8.867 -4.590 -3.797 1.00 62.30 C ATOM 687 CG ARG A 606 7.723 -4.577 -4.798 1.00 64.31 C ATOM 688 CD ARG A 606 8.179 -5.047 -6.171 1.00 45.01 C ATOM 689 NE ARG A 606 8.978 -4.038 -6.859 1.00 53.24 N ATOM 690 CZ ARG A 606 9.777 -4.306 -7.884 1.00 63.42 C ATOM 691 NH1 ARG A 606 9.884 -5.547 -8.338 1.00 30.33 N ATOM 692 NH2 ARG A 606 10.473 -3.333 -8.458 1.00 54.54 N ATOM 0 H ARG A 606 10.466 -3.861 -2.044 1.00 63.42 H new ATOM 0 HA ARG A 606 10.485 -3.711 -4.905 1.00 23.13 H new ATOM 0 HB2 ARG A 606 9.374 -5.554 -3.850 1.00 62.30 H new ATOM 0 HB3 ARG A 606 8.459 -4.499 -2.790 1.00 62.30 H new ATOM 0 HG2 ARG A 606 6.918 -5.220 -4.441 1.00 64.31 H new ATOM 0 HG3 ARG A 606 7.316 -3.569 -4.874 1.00 64.31 H new ATOM 0 HD2 ARG A 606 8.763 -5.961 -6.065 1.00 45.01 H new ATOM 0 HD3 ARG A 606 7.307 -5.294 -6.777 1.00 45.01 H new ATOM 0 HE ARG A 606 8.919 -3.073 -6.534 1.00 53.24 H new ATOM 0 HH11 ARG A 606 9.351 -6.298 -7.899 1.00 30.33 H new ATOM 0 HH12 ARG A 606 10.499 -5.751 -9.126 1.00 30.33 H new ATOM 0 HH21 ARG A 606 10.394 -2.377 -8.111 1.00 54.54 H new ATOM 0 HH22 ARG A 606 11.087 -3.541 -9.246 1.00 54.54 H new ATOM 703 N ALA A 607 8.757 -1.508 -3.173 1.00 75.41 N ATOM 704 CA ALA A 607 8.060 -0.230 -3.263 1.00 44.44 C ATOM 705 C ALA A 607 9.041 0.936 -3.225 1.00 45.12 C ATOM 706 O ALA A 607 9.251 1.616 -4.229 1.00 54.30 O ATOM 707 CB ALA A 607 7.044 -0.104 -2.137 1.00 41.21 C ATOM 0 H ALA A 607 8.890 -1.850 -2.221 1.00 75.41 H new ATOM 0 HA ALA A 607 7.536 -0.197 -4.218 1.00 44.44 H new ATOM 0 HB1 ALA A 607 6.531 0.854 -2.216 1.00 41.21 H new ATOM 0 HB2 ALA A 607 6.317 -0.912 -2.211 1.00 41.21 H new ATOM 0 HB3 ALA A 607 7.556 -0.164 -1.177 1.00 41.21 H new ATOM 713 N PHE A 608 9.641 1.160 -2.060 1.00 55.33 N ATOM 714 CA PHE A 608 10.600 2.247 -1.891 1.00 2.34 C ATOM 715 C PHE A 608 11.902 1.940 -2.626 1.00 65.51 C ATOM 716 O PHE A 608 12.518 0.896 -2.410 1.00 62.41 O ATOM 717 CB PHE A 608 10.881 2.480 -0.407 1.00 63.23 C ATOM 718 CG PHE A 608 9.747 3.144 0.321 1.00 73.10 C ATOM 719 CD1 PHE A 608 8.602 2.433 0.644 1.00 61.31 C ATOM 720 CD2 PHE A 608 9.825 4.480 0.682 1.00 0.34 C ATOM 721 CE1 PHE A 608 7.557 3.041 1.314 1.00 63.30 C ATOM 722 CE2 PHE A 608 8.783 5.093 1.352 1.00 33.14 C ATOM 723 CZ PHE A 608 7.647 4.373 1.667 1.00 70.42 C ATOM 0 H PHE A 608 9.481 0.604 -1.220 1.00 55.33 H new ATOM 0 HA PHE A 608 10.167 3.152 -2.317 1.00 2.34 H new ATOM 0 HB2 PHE A 608 11.097 1.523 0.068 1.00 63.23 H new ATOM 0 HB3 PHE A 608 11.776 3.094 -0.307 1.00 63.23 H new ATOM 0 HD1 PHE A 608 8.525 1.391 0.369 1.00 61.31 H new ATOM 0 HD2 PHE A 608 10.710 5.048 0.437 1.00 0.34 H new ATOM 0 HE1 PHE A 608 6.671 2.475 1.561 1.00 63.30 H new ATOM 0 HE2 PHE A 608 8.857 6.134 1.629 1.00 33.14 H new ATOM 0 HZ PHE A 608 6.831 4.851 2.188 1.00 70.42 H new ATOM 732 N ASP A 609 12.316 2.857 -3.492 1.00 53.44 N ATOM 733 CA ASP A 609 13.545 2.688 -4.258 1.00 3.32 C ATOM 734 C ASP A 609 14.769 2.805 -3.355 1.00 44.13 C ATOM 735 O ASP A 609 15.785 2.151 -3.582 1.00 1.22 O ATOM 736 CB ASP A 609 13.621 3.725 -5.379 1.00 52.24 C ATOM 737 CG ASP A 609 14.490 3.269 -6.534 1.00 21.33 C ATOM 738 OD1 ASP A 609 15.452 2.510 -6.289 1.00 61.11 O ATOM 739 OD2 ASP A 609 14.208 3.669 -7.682 1.00 23.21 O ATOM 0 H ASP A 609 11.818 3.727 -3.682 1.00 53.44 H new ATOM 0 HA ASP A 609 13.535 1.691 -4.698 1.00 3.32 H new ATOM 0 HB2 ASP A 609 12.616 3.934 -5.745 1.00 52.24 H new ATOM 0 HB3 ASP A 609 14.015 4.659 -4.979 1.00 52.24 H new ATOM 743 N ASN A 610 14.663 3.644 -2.330 1.00 60.11 N ATOM 744 CA ASN A 610 15.761 3.849 -1.393 1.00 21.05 C ATOM 745 C ASN A 610 15.532 3.064 -0.105 1.00 51.41 C ATOM 746 O ASN A 610 15.394 3.644 0.971 1.00 23.05 O ATOM 747 CB ASN A 610 15.917 5.337 -1.075 1.00 34.25 C ATOM 748 CG ASN A 610 16.768 6.062 -2.100 1.00 25.33 C ATOM 749 OD1 ASN A 610 16.289 6.429 -3.172 1.00 15.42 O ATOM 750 ND2 ASN A 610 18.039 6.270 -1.774 1.00 20.21 N ATOM 0 H ASN A 610 13.828 4.193 -2.127 1.00 60.11 H new ATOM 0 HA ASN A 610 16.676 3.486 -1.861 1.00 21.05 H new ATOM 0 HB2 ASN A 610 14.932 5.801 -1.031 1.00 34.25 H new ATOM 0 HB3 ASN A 610 16.367 5.450 -0.089 1.00 34.25 H new ATOM 0 HD21 ASN A 610 18.660 6.752 -2.424 1.00 20.21 H new ATOM 0 HD22 ASN A 610 18.394 5.948 -0.873 1.00 20.21 H new ATOM 756 N ALA A 611 15.492 1.741 -0.225 1.00 61.35 N ATOM 757 CA ALA A 611 15.281 0.876 0.930 1.00 24.24 C ATOM 758 C ALA A 611 16.588 0.224 1.372 1.00 53.53 C ATOM 759 O ALA A 611 16.677 -0.999 1.478 1.00 44.53 O ATOM 760 CB ALA A 611 14.241 -0.187 0.610 1.00 2.23 C ATOM 0 H ALA A 611 15.603 1.245 -1.109 1.00 61.35 H new ATOM 0 HA ALA A 611 14.915 1.491 1.752 1.00 24.24 H new ATOM 0 HB1 ALA A 611 14.094 -0.826 1.481 1.00 2.23 H new ATOM 0 HB2 ALA A 611 13.298 0.293 0.348 1.00 2.23 H new ATOM 0 HB3 ALA A 611 14.585 -0.792 -0.229 1.00 2.23 H new ATOM 766 N ASP A 612 17.597 1.048 1.627 1.00 63.54 N ATOM 767 CA ASP A 612 18.899 0.551 2.059 1.00 73.33 C ATOM 768 C ASP A 612 18.937 0.372 3.574 1.00 14.23 C ATOM 769 O ASP A 612 18.934 -0.752 4.077 1.00 1.12 O ATOM 770 CB ASP A 612 20.006 1.510 1.619 1.00 13.33 C ATOM 771 CG ASP A 612 21.356 1.145 2.205 1.00 3.50 C ATOM 772 OD1 ASP A 612 21.591 -0.058 2.447 1.00 12.13 O ATOM 773 OD2 ASP A 612 22.176 2.061 2.423 1.00 2.02 O ATOM 0 H ASP A 612 17.540 2.063 1.542 1.00 63.54 H new ATOM 0 HA ASP A 612 19.063 -0.420 1.592 1.00 73.33 H new ATOM 0 HB2 ASP A 612 20.073 1.508 0.531 1.00 13.33 H new ATOM 0 HB3 ASP A 612 19.745 2.524 1.920 1.00 13.33 H new ATOM 777 N HIS A 613 18.974 1.487 4.296 1.00 43.34 N ATOM 778 CA HIS A 613 19.013 1.453 5.753 1.00 64.24 C ATOM 779 C HIS A 613 17.749 2.067 6.346 1.00 40.13 C ATOM 780 O HIS A 613 17.757 2.566 7.471 1.00 70.44 O ATOM 781 CB HIS A 613 20.245 2.198 6.269 1.00 62.24 C ATOM 782 CG HIS A 613 20.708 1.731 7.615 1.00 63.11 C ATOM 783 ND1 HIS A 613 20.700 0.405 7.996 1.00 14.33 N ATOM 784 CD2 HIS A 613 21.197 2.421 8.672 1.00 51.32 C ATOM 785 CE1 HIS A 613 21.162 0.301 9.229 1.00 2.11 C ATOM 786 NE2 HIS A 613 21.470 1.510 9.662 1.00 20.44 N ATOM 0 H HIS A 613 18.978 2.425 3.896 1.00 43.34 H new ATOM 0 HA HIS A 613 19.070 0.410 6.065 1.00 64.24 H new ATOM 0 HB2 HIS A 613 21.058 2.079 5.553 1.00 62.24 H new ATOM 0 HB3 HIS A 613 20.020 3.263 6.321 1.00 62.24 H new ATOM 0 HD2 HIS A 613 21.345 3.489 8.726 1.00 51.32 H new ATOM 0 HE1 HIS A 613 21.270 -0.617 9.788 1.00 2.11 H new ATOM 0 HE2 HIS A 613 21.849 1.731 10.583 1.00 20.44 H new ATOM 793 N ARG A 614 16.663 2.028 5.580 1.00 52.11 N ATOM 794 CA ARG A 614 15.391 2.582 6.029 1.00 15.43 C ATOM 795 C ARG A 614 14.589 1.544 6.808 1.00 25.35 C ATOM 796 O ARG A 614 14.785 0.340 6.642 1.00 0.44 O ATOM 797 CB ARG A 614 14.576 3.078 4.833 1.00 34.43 C ATOM 798 CG ARG A 614 14.924 4.495 4.404 1.00 71.33 C ATOM 799 CD ARG A 614 14.294 5.527 5.327 1.00 12.52 C ATOM 800 NE ARG A 614 15.004 6.802 5.287 1.00 33.00 N ATOM 801 CZ ARG A 614 14.528 7.925 5.816 1.00 1.42 C ATOM 802 NH1 ARG A 614 13.349 7.928 6.421 1.00 51.01 N ATOM 803 NH2 ARG A 614 15.234 9.046 5.739 1.00 44.32 N ATOM 0 H ARG A 614 16.639 1.619 4.646 1.00 52.11 H new ATOM 0 HA ARG A 614 15.603 3.422 6.690 1.00 15.43 H new ATOM 0 HB2 ARG A 614 14.734 2.403 3.992 1.00 34.43 H new ATOM 0 HB3 ARG A 614 13.516 3.033 5.083 1.00 34.43 H new ATOM 0 HG2 ARG A 614 16.007 4.620 4.402 1.00 71.33 H new ATOM 0 HG3 ARG A 614 14.582 4.662 3.383 1.00 71.33 H new ATOM 0 HD2 ARG A 614 13.254 5.682 5.041 1.00 12.52 H new ATOM 0 HD3 ARG A 614 14.290 5.146 6.348 1.00 12.52 H new ATOM 0 HE ARG A 614 15.915 6.833 4.828 1.00 33.00 H new ATOM 0 HH11 ARG A 614 12.805 7.068 6.482 1.00 51.01 H new ATOM 0 HH12 ARG A 614 12.986 8.791 6.826 1.00 51.01 H new ATOM 0 HH21 ARG A 614 16.142 9.046 5.274 1.00 44.32 H new ATOM 0 HH22 ARG A 614 14.869 9.908 6.145 1.00 44.32 H new ATOM 814 N THR A 615 13.686 2.018 7.660 1.00 32.31 N ATOM 815 CA THR A 615 12.857 1.132 8.466 1.00 42.20 C ATOM 816 C THR A 615 11.772 0.475 7.622 1.00 12.54 C ATOM 817 O THR A 615 11.479 0.923 6.512 1.00 50.22 O ATOM 818 CB THR A 615 12.194 1.889 9.633 1.00 5.15 C ATOM 819 OG1 THR A 615 11.542 0.963 10.510 1.00 35.33 O ATOM 820 CG2 THR A 615 11.186 2.903 9.117 1.00 53.13 C ATOM 0 H THR A 615 13.510 3.012 7.810 1.00 32.31 H new ATOM 0 HA THR A 615 13.517 0.363 8.869 1.00 42.20 H new ATOM 0 HB THR A 615 12.972 2.421 10.181 1.00 5.15 H new ATOM 0 HG1 THR A 615 11.687 1.236 11.440 1.00 35.33 H new ATOM 0 HG21 THR A 615 10.731 3.425 9.959 1.00 53.13 H new ATOM 0 HG22 THR A 615 11.691 3.623 8.474 1.00 53.13 H new ATOM 0 HG23 THR A 615 10.412 2.389 8.548 1.00 53.13 H new ATOM 828 N TYR A 616 11.177 -0.588 8.151 1.00 23.32 N ATOM 829 CA TYR A 616 10.125 -1.308 7.444 1.00 20.23 C ATOM 830 C TYR A 616 8.762 -1.039 8.075 1.00 10.21 C ATOM 831 O TYR A 616 7.733 -1.080 7.400 1.00 32.14 O ATOM 832 CB TYR A 616 10.414 -2.811 7.449 1.00 71.53 C ATOM 833 CG TYR A 616 10.761 -3.356 8.816 1.00 52.41 C ATOM 834 CD1 TYR A 616 9.769 -3.613 9.755 1.00 34.01 C ATOM 835 CD2 TYR A 616 12.079 -3.615 9.168 1.00 23.41 C ATOM 836 CE1 TYR A 616 10.081 -4.111 11.005 1.00 70.52 C ATOM 837 CE2 TYR A 616 12.401 -4.115 10.416 1.00 52.54 C ATOM 838 CZ TYR A 616 11.398 -4.359 11.331 1.00 23.04 C ATOM 839 OH TYR A 616 11.713 -4.857 12.576 1.00 15.42 O ATOM 0 H TYR A 616 11.406 -0.971 9.068 1.00 23.32 H new ATOM 0 HA TYR A 616 10.105 -0.952 6.414 1.00 20.23 H new ATOM 0 HB2 TYR A 616 9.542 -3.341 7.066 1.00 71.53 H new ATOM 0 HB3 TYR A 616 11.238 -3.016 6.765 1.00 71.53 H new ATOM 0 HD1 TYR A 616 8.737 -3.420 9.503 1.00 34.01 H new ATOM 0 HD2 TYR A 616 12.866 -3.422 8.454 1.00 23.41 H new ATOM 0 HE1 TYR A 616 9.298 -4.305 11.723 1.00 70.52 H new ATOM 0 HE2 TYR A 616 13.431 -4.313 10.673 1.00 52.54 H new ATOM 0 HH TYR A 616 12.683 -4.977 12.645 1.00 15.42 H new ATOM 848 N VAL A 617 8.764 -0.762 9.375 1.00 52.53 N ATOM 849 CA VAL A 617 7.529 -0.483 10.098 1.00 41.24 C ATOM 850 C VAL A 617 6.708 0.591 9.392 1.00 62.43 C ATOM 851 O VAL A 617 5.478 0.565 9.420 1.00 72.24 O ATOM 852 CB VAL A 617 7.815 -0.030 11.542 1.00 54.14 C ATOM 853 CG1 VAL A 617 8.632 1.254 11.547 1.00 14.51 C ATOM 854 CG2 VAL A 617 6.514 0.155 12.309 1.00 64.13 C ATOM 0 H VAL A 617 9.607 -0.725 9.949 1.00 52.53 H new ATOM 0 HA VAL A 617 6.960 -1.412 10.122 1.00 41.24 H new ATOM 0 HB VAL A 617 8.397 -0.806 12.039 1.00 54.14 H new ATOM 0 HG11 VAL A 617 8.824 1.559 12.576 1.00 14.51 H new ATOM 0 HG12 VAL A 617 9.580 1.084 11.036 1.00 14.51 H new ATOM 0 HG13 VAL A 617 8.078 2.040 11.033 1.00 14.51 H new ATOM 0 HG21 VAL A 617 6.734 0.475 13.327 1.00 64.13 H new ATOM 0 HG22 VAL A 617 5.905 0.912 11.815 1.00 64.13 H new ATOM 0 HG23 VAL A 617 5.970 -0.789 12.335 1.00 64.13 H new ATOM 864 N ASP A 618 7.398 1.533 8.759 1.00 72.35 N ATOM 865 CA ASP A 618 6.733 2.617 8.043 1.00 25.31 C ATOM 866 C ASP A 618 5.754 2.066 7.013 1.00 2.50 C ATOM 867 O ASP A 618 4.591 2.471 6.966 1.00 61.22 O ATOM 868 CB ASP A 618 7.766 3.512 7.357 1.00 3.24 C ATOM 869 CG ASP A 618 7.853 4.886 7.990 1.00 12.13 C ATOM 870 OD1 ASP A 618 8.590 5.034 8.987 1.00 20.53 O ATOM 871 OD2 ASP A 618 7.186 5.814 7.487 1.00 42.25 O ATOM 0 H ASP A 618 8.417 1.569 8.727 1.00 72.35 H new ATOM 0 HA ASP A 618 6.174 3.210 8.767 1.00 25.31 H new ATOM 0 HB2 ASP A 618 8.744 3.033 7.401 1.00 3.24 H new ATOM 0 HB3 ASP A 618 7.509 3.616 6.303 1.00 3.24 H new ATOM 875 N LEU A 619 6.230 1.141 6.187 1.00 4.34 N ATOM 876 CA LEU A 619 5.396 0.534 5.154 1.00 15.01 C ATOM 877 C LEU A 619 4.328 -0.362 5.773 1.00 72.34 C ATOM 878 O LEU A 619 3.269 -0.581 5.186 1.00 54.33 O ATOM 879 CB LEU A 619 6.258 -0.276 4.185 1.00 65.13 C ATOM 880 CG LEU A 619 6.550 -1.721 4.594 1.00 20.43 C ATOM 881 CD1 LEU A 619 5.559 -2.671 3.942 1.00 3.51 C ATOM 882 CD2 LEU A 619 7.977 -2.101 4.226 1.00 14.25 C ATOM 0 H LEU A 619 7.189 0.794 6.212 1.00 4.34 H new ATOM 0 HA LEU A 619 4.899 1.335 4.606 1.00 15.01 H new ATOM 0 HB2 LEU A 619 5.764 -0.287 3.213 1.00 65.13 H new ATOM 0 HB3 LEU A 619 7.208 0.243 4.054 1.00 65.13 H new ATOM 0 HG LEU A 619 6.441 -1.801 5.676 1.00 20.43 H new ATOM 0 HD11 LEU A 619 5.783 -3.694 4.245 1.00 3.51 H new ATOM 0 HD12 LEU A 619 4.547 -2.413 4.255 1.00 3.51 H new ATOM 0 HD13 LEU A 619 5.635 -2.589 2.858 1.00 3.51 H new ATOM 0 HD21 LEU A 619 8.167 -3.132 4.524 1.00 14.25 H new ATOM 0 HD22 LEU A 619 8.113 -2.004 3.149 1.00 14.25 H new ATOM 0 HD23 LEU A 619 8.674 -1.440 4.741 1.00 14.25 H new ATOM 893 N LYS A 620 4.613 -0.876 6.966 1.00 2.15 N ATOM 894 CA LYS A 620 3.677 -1.746 7.667 1.00 51.45 C ATOM 895 C LYS A 620 2.459 -0.960 8.145 1.00 4.52 C ATOM 896 O LYS A 620 1.323 -1.420 8.017 1.00 22.24 O ATOM 897 CB LYS A 620 4.365 -2.414 8.860 1.00 73.52 C ATOM 898 CG LYS A 620 3.820 -3.794 9.181 1.00 22.12 C ATOM 899 CD LYS A 620 2.667 -3.724 10.168 1.00 21.35 C ATOM 900 CE LYS A 620 3.163 -3.734 11.605 1.00 62.21 C ATOM 901 NZ LYS A 620 2.045 -3.898 12.576 1.00 62.53 N ATOM 0 H LYS A 620 5.485 -0.704 7.467 1.00 2.15 H new ATOM 0 HA LYS A 620 3.343 -2.515 6.971 1.00 51.45 H new ATOM 0 HB2 LYS A 620 5.433 -2.493 8.656 1.00 73.52 H new ATOM 0 HB3 LYS A 620 4.254 -1.776 9.737 1.00 73.52 H new ATOM 0 HG2 LYS A 620 3.485 -4.276 8.263 1.00 22.12 H new ATOM 0 HG3 LYS A 620 4.616 -4.413 9.594 1.00 22.12 H new ATOM 0 HD2 LYS A 620 2.087 -2.819 9.988 1.00 21.35 H new ATOM 0 HD3 LYS A 620 1.997 -4.569 10.007 1.00 21.35 H new ATOM 0 HE2 LYS A 620 3.880 -4.544 11.736 1.00 62.21 H new ATOM 0 HE3 LYS A 620 3.692 -2.804 11.813 1.00 62.21 H new ATOM 0 HZ1 LYS A 620 2.424 -3.900 13.545 1.00 62.53 H new ATOM 0 HZ2 LYS A 620 1.374 -3.111 12.468 1.00 62.53 H new ATOM 0 HZ3 LYS A 620 1.556 -4.798 12.394 1.00 62.53 H new ATOM 911 N ASP A 621 2.701 0.224 8.693 1.00 35.33 N ATOM 912 CA ASP A 621 1.624 1.074 9.186 1.00 71.50 C ATOM 913 C ASP A 621 0.826 1.666 8.030 1.00 53.52 C ATOM 914 O ASP A 621 -0.370 1.930 8.157 1.00 62.43 O ATOM 915 CB ASP A 621 2.190 2.196 10.059 1.00 34.02 C ATOM 916 CG ASP A 621 1.146 2.794 10.981 1.00 33.51 C ATOM 917 OD1 ASP A 621 -0.027 2.372 10.903 1.00 74.53 O ATOM 918 OD2 ASP A 621 1.502 3.685 11.781 1.00 44.13 O ATOM 0 H ASP A 621 3.635 0.618 8.808 1.00 35.33 H new ATOM 0 HA ASP A 621 0.955 0.458 9.787 1.00 71.50 H new ATOM 0 HB2 ASP A 621 3.017 1.808 10.654 1.00 34.02 H new ATOM 0 HB3 ASP A 621 2.598 2.979 9.420 1.00 34.02 H new ATOM 922 N LYS A 622 1.495 1.873 6.901 1.00 13.50 N ATOM 923 CA LYS A 622 0.849 2.434 5.719 1.00 5.31 C ATOM 924 C LYS A 622 -0.219 1.486 5.183 1.00 55.45 C ATOM 925 O LYS A 622 -1.328 1.909 4.853 1.00 40.25 O ATOM 926 CB LYS A 622 1.887 2.718 4.631 1.00 50.34 C ATOM 927 CG LYS A 622 1.291 3.298 3.359 1.00 63.41 C ATOM 928 CD LYS A 622 0.708 4.681 3.598 1.00 2.41 C ATOM 929 CE LYS A 622 -0.628 4.851 2.890 1.00 21.14 C ATOM 930 NZ LYS A 622 -1.607 5.600 3.725 1.00 72.34 N ATOM 0 H LYS A 622 2.485 1.661 6.779 1.00 13.50 H new ATOM 0 HA LYS A 622 0.369 3.369 6.007 1.00 5.31 H new ATOM 0 HB2 LYS A 622 2.631 3.411 5.023 1.00 50.34 H new ATOM 0 HB3 LYS A 622 2.410 1.793 4.389 1.00 50.34 H new ATOM 0 HG2 LYS A 622 2.060 3.354 2.588 1.00 63.41 H new ATOM 0 HG3 LYS A 622 0.512 2.633 2.985 1.00 63.41 H new ATOM 0 HD2 LYS A 622 0.577 4.842 4.668 1.00 2.41 H new ATOM 0 HD3 LYS A 622 1.408 5.438 3.244 1.00 2.41 H new ATOM 0 HE2 LYS A 622 -0.475 5.378 1.948 1.00 21.14 H new ATOM 0 HE3 LYS A 622 -1.036 3.871 2.644 1.00 21.14 H new ATOM 0 HZ1 LYS A 622 -2.565 5.237 3.547 1.00 72.34 H new ATOM 0 HZ2 LYS A 622 -1.372 5.477 4.730 1.00 72.34 H new ATOM 0 HZ3 LYS A 622 -1.569 6.610 3.482 1.00 72.34 H new ATOM 940 N TRP A 623 0.121 0.205 5.098 1.00 54.15 N ATOM 941 CA TRP A 623 -0.811 -0.801 4.602 1.00 24.04 C ATOM 942 C TRP A 623 -1.981 -0.982 5.564 1.00 33.42 C ATOM 943 O TRP A 623 -3.140 -1.008 5.150 1.00 32.45 O ATOM 944 CB TRP A 623 -0.091 -2.135 4.399 1.00 41.10 C ATOM 945 CG TRP A 623 -0.929 -3.323 4.764 1.00 24.23 C ATOM 946 CD1 TRP A 623 -2.095 -3.717 4.171 1.00 30.44 C ATOM 947 CD2 TRP A 623 -0.666 -4.271 5.804 1.00 22.21 C ATOM 948 NE1 TRP A 623 -2.572 -4.852 4.782 1.00 1.13 N ATOM 949 CE2 TRP A 623 -1.713 -5.213 5.785 1.00 72.43 C ATOM 950 CE3 TRP A 623 0.354 -4.417 6.749 1.00 61.11 C ATOM 951 CZ2 TRP A 623 -1.768 -6.281 6.676 1.00 3.30 C ATOM 952 CZ3 TRP A 623 0.297 -5.479 7.632 1.00 34.53 C ATOM 953 CH2 TRP A 623 -0.757 -6.400 7.591 1.00 13.55 C ATOM 0 H TRP A 623 1.034 -0.161 5.366 1.00 54.15 H new ATOM 0 HA TRP A 623 -1.203 -0.457 3.645 1.00 24.04 H new ATOM 0 HB2 TRP A 623 0.213 -2.221 3.356 1.00 41.10 H new ATOM 0 HB3 TRP A 623 0.819 -2.143 4.998 1.00 41.10 H new ATOM 0 HD1 TRP A 623 -2.572 -3.211 3.344 1.00 30.44 H new ATOM 0 HE1 TRP A 623 -3.428 -5.346 4.529 1.00 1.13 H new ATOM 0 HE3 TRP A 623 1.172 -3.713 6.788 1.00 61.11 H new ATOM 0 HZ2 TRP A 623 -2.581 -6.992 6.646 1.00 3.30 H new ATOM 0 HZ3 TRP A 623 1.079 -5.601 8.367 1.00 34.53 H new ATOM 0 HH2 TRP A 623 -0.772 -7.219 8.294 1.00 13.55 H new ATOM 963 N LYS A 624 -1.670 -1.106 6.850 1.00 73.22 N ATOM 964 CA LYS A 624 -2.695 -1.283 7.872 1.00 34.53 C ATOM 965 C LYS A 624 -3.783 -0.222 7.740 1.00 72.40 C ATOM 966 O LYS A 624 -4.973 -0.537 7.719 1.00 12.11 O ATOM 967 CB LYS A 624 -2.069 -1.216 9.267 1.00 4.40 C ATOM 968 CG LYS A 624 -2.898 -1.904 10.338 1.00 25.14 C ATOM 969 CD LYS A 624 -2.857 -1.140 11.651 1.00 23.23 C ATOM 970 CE LYS A 624 -3.768 -1.773 12.693 1.00 11.53 C ATOM 971 NZ LYS A 624 -3.895 -0.923 13.908 1.00 34.21 N ATOM 0 H LYS A 624 -0.716 -1.087 7.209 1.00 73.22 H new ATOM 0 HA LYS A 624 -3.149 -2.264 7.731 1.00 34.53 H new ATOM 0 HB2 LYS A 624 -1.080 -1.673 9.235 1.00 4.40 H new ATOM 0 HB3 LYS A 624 -1.928 -0.171 9.543 1.00 4.40 H new ATOM 0 HG2 LYS A 624 -3.930 -1.992 10.000 1.00 25.14 H new ATOM 0 HG3 LYS A 624 -2.526 -2.917 10.493 1.00 25.14 H new ATOM 0 HD2 LYS A 624 -1.834 -1.115 12.027 1.00 23.23 H new ATOM 0 HD3 LYS A 624 -3.159 -0.107 11.481 1.00 23.23 H new ATOM 0 HE2 LYS A 624 -4.755 -1.938 12.260 1.00 11.53 H new ATOM 0 HE3 LYS A 624 -3.375 -2.750 12.973 1.00 11.53 H new ATOM 0 HZ1 LYS A 624 -4.523 -1.389 14.593 1.00 34.21 H new ATOM 0 HZ2 LYS A 624 -2.957 -0.786 14.336 1.00 34.21 H new ATOM 0 HZ3 LYS A 624 -4.294 0.001 13.645 1.00 34.21 H new ATOM 981 N THR A 625 -3.367 1.038 7.650 1.00 40.33 N ATOM 982 CA THR A 625 -4.306 2.145 7.520 1.00 10.11 C ATOM 983 C THR A 625 -4.956 2.155 6.141 1.00 43.42 C ATOM 984 O THR A 625 -6.086 2.617 5.979 1.00 51.42 O ATOM 985 CB THR A 625 -3.614 3.500 7.758 1.00 44.34 C ATOM 986 OG1 THR A 625 -4.587 4.551 7.776 1.00 31.21 O ATOM 987 CG2 THR A 625 -2.581 3.777 6.677 1.00 61.42 C ATOM 0 H THR A 625 -2.386 1.317 7.665 1.00 40.33 H new ATOM 0 HA THR A 625 -5.074 1.999 8.280 1.00 10.11 H new ATOM 0 HB THR A 625 -3.106 3.459 8.722 1.00 44.34 H new ATOM 0 HG1 THR A 625 -4.139 5.409 7.929 1.00 31.21 H new ATOM 0 HG21 THR A 625 -2.105 4.739 6.866 1.00 61.42 H new ATOM 0 HG22 THR A 625 -1.826 2.991 6.686 1.00 61.42 H new ATOM 0 HG23 THR A 625 -3.070 3.799 5.703 1.00 61.42 H new ATOM 995 N LEU A 626 -4.236 1.643 5.148 1.00 71.44 N ATOM 996 CA LEU A 626 -4.743 1.592 3.782 1.00 51.40 C ATOM 997 C LEU A 626 -6.013 0.750 3.703 1.00 51.11 C ATOM 998 O LEU A 626 -7.053 1.219 3.242 1.00 11.32 O ATOM 999 CB LEU A 626 -3.680 1.020 2.843 1.00 40.04 C ATOM 1000 CG LEU A 626 -3.360 1.855 1.602 1.00 40.13 C ATOM 1001 CD1 LEU A 626 -2.386 1.116 0.699 1.00 75.22 C ATOM 1002 CD2 LEU A 626 -4.637 2.197 0.847 1.00 34.35 C ATOM 0 H LEU A 626 -3.299 1.257 5.264 1.00 71.44 H new ATOM 0 HA LEU A 626 -4.983 2.609 3.472 1.00 51.40 H new ATOM 0 HB2 LEU A 626 -2.760 0.882 3.410 1.00 40.04 H new ATOM 0 HB3 LEU A 626 -4.005 0.032 2.517 1.00 40.04 H new ATOM 0 HG LEU A 626 -2.891 2.785 1.923 1.00 40.13 H new ATOM 0 HD11 LEU A 626 -2.170 1.725 -0.179 1.00 75.22 H new ATOM 0 HD12 LEU A 626 -1.461 0.922 1.243 1.00 75.22 H new ATOM 0 HD13 LEU A 626 -2.827 0.170 0.385 1.00 75.22 H new ATOM 0 HD21 LEU A 626 -4.391 2.791 -0.033 1.00 34.35 H new ATOM 0 HD22 LEU A 626 -5.134 1.278 0.537 1.00 34.35 H new ATOM 0 HD23 LEU A 626 -5.302 2.767 1.496 1.00 34.35 H new ATOM 1013 N VAL A 627 -5.921 -0.495 4.160 1.00 12.22 N ATOM 1014 CA VAL A 627 -7.063 -1.401 4.143 1.00 61.14 C ATOM 1015 C VAL A 627 -8.204 -0.862 5.001 1.00 24.05 C ATOM 1016 O VAL A 627 -9.370 -0.929 4.612 1.00 50.02 O ATOM 1017 CB VAL A 627 -6.673 -2.804 4.649 1.00 54.13 C ATOM 1018 CG1 VAL A 627 -6.014 -2.714 6.016 1.00 63.14 C ATOM 1019 CG2 VAL A 627 -7.894 -3.710 4.693 1.00 63.13 C ATOM 0 H VAL A 627 -5.068 -0.899 4.546 1.00 12.22 H new ATOM 0 HA VAL A 627 -7.394 -1.475 3.107 1.00 61.14 H new ATOM 0 HB VAL A 627 -5.953 -3.237 3.955 1.00 54.13 H new ATOM 0 HG11 VAL A 627 -5.746 -3.714 6.357 1.00 63.14 H new ATOM 0 HG12 VAL A 627 -5.116 -2.101 5.947 1.00 63.14 H new ATOM 0 HG13 VAL A 627 -6.708 -2.263 6.725 1.00 63.14 H new ATOM 0 HG21 VAL A 627 -7.602 -4.697 5.052 1.00 63.13 H new ATOM 0 HG22 VAL A 627 -8.639 -3.285 5.366 1.00 63.13 H new ATOM 0 HG23 VAL A 627 -8.317 -3.799 3.693 1.00 63.13 H new ATOM 1029 N HIS A 628 -7.858 -0.329 6.168 1.00 71.02 N ATOM 1030 CA HIS A 628 -8.854 0.223 7.080 1.00 63.53 C ATOM 1031 C HIS A 628 -9.587 1.397 6.439 1.00 3.34 C ATOM 1032 O HIS A 628 -10.734 1.688 6.781 1.00 10.23 O ATOM 1033 CB HIS A 628 -8.190 0.671 8.382 1.00 60.44 C ATOM 1034 CG HIS A 628 -7.706 -0.464 9.231 1.00 41.25 C ATOM 1035 ND1 HIS A 628 -8.142 -1.762 9.069 1.00 45.54 N ATOM 1036 CD2 HIS A 628 -6.819 -0.491 10.253 1.00 2.44 C ATOM 1037 CE1 HIS A 628 -7.545 -2.539 9.956 1.00 11.11 C ATOM 1038 NE2 HIS A 628 -6.736 -1.792 10.686 1.00 21.42 N ATOM 0 H HIS A 628 -6.897 -0.267 6.505 1.00 71.02 H new ATOM 0 HA HIS A 628 -9.581 -0.559 7.301 1.00 63.53 H new ATOM 0 HB2 HIS A 628 -7.348 1.321 8.145 1.00 60.44 H new ATOM 0 HB3 HIS A 628 -8.900 1.266 8.956 1.00 60.44 H new ATOM 0 HD1 HIS A 628 -8.820 -2.074 8.373 1.00 45.54 H new ATOM 0 HD2 HIS A 628 -6.277 0.353 10.653 1.00 2.44 H new ATOM 0 HE1 HIS A 628 -7.693 -3.603 10.065 1.00 11.11 H new ATOM 1045 N THR A 629 -8.919 2.068 5.507 1.00 2.20 N ATOM 1046 CA THR A 629 -9.506 3.211 4.819 1.00 14.41 C ATOM 1047 C THR A 629 -10.458 2.760 3.717 1.00 2.02 C ATOM 1048 O THR A 629 -11.415 3.459 3.387 1.00 13.42 O ATOM 1049 CB THR A 629 -8.421 4.115 4.205 1.00 35.32 C ATOM 1050 OG1 THR A 629 -8.676 5.484 4.541 1.00 22.22 O ATOM 1051 CG2 THR A 629 -8.378 3.959 2.692 1.00 34.21 C ATOM 0 H THR A 629 -7.970 1.840 5.211 1.00 2.20 H new ATOM 0 HA THR A 629 -10.061 3.778 5.566 1.00 14.41 H new ATOM 0 HB THR A 629 -7.456 3.814 4.613 1.00 35.32 H new ATOM 0 HG1 THR A 629 -8.520 5.620 5.499 1.00 22.22 H new ATOM 0 HG21 THR A 629 -7.604 4.607 2.281 1.00 34.21 H new ATOM 0 HG22 THR A 629 -8.155 2.922 2.439 1.00 34.21 H new ATOM 0 HG23 THR A 629 -9.344 4.235 2.270 1.00 34.21 H new ATOM 1059 N ALA A 630 -10.190 1.587 3.154 1.00 11.21 N ATOM 1060 CA ALA A 630 -11.026 1.041 2.091 1.00 51.00 C ATOM 1061 C ALA A 630 -12.493 1.013 2.505 1.00 73.11 C ATOM 1062 O ALA A 630 -13.366 1.458 1.761 1.00 14.43 O ATOM 1063 CB ALA A 630 -10.555 -0.356 1.715 1.00 11.01 C ATOM 0 H ALA A 630 -9.401 0.996 3.416 1.00 11.21 H new ATOM 0 HA ALA A 630 -10.934 1.691 1.221 1.00 51.00 H new ATOM 0 HB1 ALA A 630 -11.188 -0.752 0.921 1.00 11.01 H new ATOM 0 HB2 ALA A 630 -9.523 -0.311 1.368 1.00 11.01 H new ATOM 0 HB3 ALA A 630 -10.617 -1.008 2.587 1.00 11.01 H new ATOM 1069 N SER A 631 -12.757 0.489 3.698 1.00 21.32 N ATOM 1070 CA SER A 631 -14.119 0.400 4.209 1.00 12.42 C ATOM 1071 C SER A 631 -14.149 -0.322 5.554 1.00 13.34 C ATOM 1072 O SER A 631 -14.699 -1.417 5.669 1.00 45.14 O ATOM 1073 CB SER A 631 -15.016 -0.329 3.206 1.00 74.11 C ATOM 1074 OG SER A 631 -16.262 -0.669 3.790 1.00 32.22 O ATOM 0 H SER A 631 -12.045 0.120 4.328 1.00 21.32 H new ATOM 0 HA SER A 631 -14.494 1.413 4.352 1.00 12.42 H new ATOM 0 HB2 SER A 631 -15.180 0.303 2.333 1.00 74.11 H new ATOM 0 HB3 SER A 631 -14.516 -1.232 2.856 1.00 74.11 H new ATOM 0 HG SER A 631 -16.118 -1.304 4.522 1.00 32.22 H new ATOM 1079 N ILE A 632 -13.552 0.300 6.564 1.00 42.32 N ATOM 1080 CA ILE A 632 -13.512 -0.282 7.901 1.00 32.44 C ATOM 1081 C ILE A 632 -13.847 0.759 8.963 1.00 43.00 C ATOM 1082 O ILE A 632 -14.927 0.734 9.553 1.00 10.34 O ATOM 1083 CB ILE A 632 -12.129 -0.887 8.209 1.00 13.30 C ATOM 1084 CG1 ILE A 632 -11.936 -2.192 7.434 1.00 23.34 C ATOM 1085 CG2 ILE A 632 -11.976 -1.123 9.703 1.00 25.51 C ATOM 1086 CD1 ILE A 632 -11.631 -1.985 5.967 1.00 73.23 C ATOM 0 H ILE A 632 -13.090 1.206 6.483 1.00 42.32 H new ATOM 0 HA ILE A 632 -14.260 -1.074 7.924 1.00 32.44 H new ATOM 0 HB ILE A 632 -11.360 -0.182 7.892 1.00 13.30 H new ATOM 0 HG12 ILE A 632 -11.124 -2.758 7.889 1.00 23.34 H new ATOM 0 HG13 ILE A 632 -12.838 -2.797 7.527 1.00 23.34 H new ATOM 0 HG21 ILE A 632 -10.994 -1.551 9.905 1.00 25.51 H new ATOM 0 HG22 ILE A 632 -12.075 -0.176 10.233 1.00 25.51 H new ATOM 0 HG23 ILE A 632 -12.749 -1.812 10.044 1.00 25.51 H new ATOM 0 HD11 ILE A 632 -11.507 -2.953 5.481 1.00 73.23 H new ATOM 0 HD12 ILE A 632 -12.454 -1.446 5.497 1.00 73.23 H new ATOM 0 HD13 ILE A 632 -10.713 -1.407 5.864 1.00 73.23 H new ATOM 1097 N ALA A 633 -12.913 1.674 9.202 1.00 61.24 N ATOM 1098 CA ALA A 633 -13.111 2.726 10.192 1.00 71.24 C ATOM 1099 C ALA A 633 -13.444 4.055 9.522 1.00 10.45 C ATOM 1100 O ALA A 633 -12.869 4.421 8.496 1.00 52.34 O ATOM 1101 CB ALA A 633 -11.873 2.870 11.065 1.00 32.34 C ATOM 0 H ALA A 633 -12.013 1.708 8.724 1.00 61.24 H new ATOM 0 HA ALA A 633 -13.955 2.444 10.821 1.00 71.24 H new ATOM 0 HB1 ALA A 633 -12.035 3.659 11.799 1.00 32.34 H new ATOM 0 HB2 ALA A 633 -11.680 1.929 11.580 1.00 32.34 H new ATOM 0 HB3 ALA A 633 -11.016 3.125 10.442 1.00 32.34 H new ATOM 1107 N PRO A 634 -14.396 4.794 10.111 1.00 70.43 N ATOM 1108 CA PRO A 634 -14.826 6.093 9.588 1.00 15.41 C ATOM 1109 C PRO A 634 -13.755 7.168 9.746 1.00 44.12 C ATOM 1110 O PRO A 634 -13.535 7.975 8.844 1.00 44.44 O ATOM 1111 CB PRO A 634 -16.053 6.431 10.441 1.00 12.14 C ATOM 1112 CG PRO A 634 -15.847 5.682 11.711 1.00 64.53 C ATOM 1113 CD PRO A 634 -15.122 4.419 11.336 1.00 71.11 C ATOM 0 HA PRO A 634 -15.031 6.053 8.518 1.00 15.41 H new ATOM 0 HB2 PRO A 634 -16.127 7.503 10.621 1.00 12.14 H new ATOM 0 HB3 PRO A 634 -16.975 6.126 9.947 1.00 12.14 H new ATOM 0 HG2 PRO A 634 -15.265 6.270 12.420 1.00 64.53 H new ATOM 0 HG3 PRO A 634 -16.800 5.457 12.190 1.00 64.53 H new ATOM 0 HD2 PRO A 634 -14.441 4.097 12.124 1.00 71.11 H new ATOM 0 HD3 PRO A 634 -15.814 3.596 11.157 1.00 71.11 H new ATOM 1118 N GLN A 635 -13.093 7.170 10.899 1.00 22.01 N ATOM 1119 CA GLN A 635 -12.044 8.145 11.175 1.00 51.42 C ATOM 1120 C GLN A 635 -10.779 7.820 10.389 1.00 34.12 C ATOM 1121 O GLN A 635 -9.868 8.642 10.295 1.00 33.20 O ATOM 1122 CB GLN A 635 -11.735 8.182 12.672 1.00 3.34 C ATOM 1123 CG GLN A 635 -11.056 6.921 13.184 1.00 32.12 C ATOM 1124 CD GLN A 635 -10.758 6.981 14.669 1.00 54.32 C ATOM 1125 OE1 GLN A 635 -11.594 7.412 15.464 1.00 40.05 O ATOM 1126 NE2 GLN A 635 -9.562 6.548 15.052 1.00 54.43 N ATOM 0 H GLN A 635 -13.264 6.508 11.656 1.00 22.01 H new ATOM 0 HA GLN A 635 -12.402 9.126 10.861 1.00 51.42 H new ATOM 0 HB2 GLN A 635 -11.096 9.040 12.882 1.00 3.34 H new ATOM 0 HB3 GLN A 635 -12.663 8.334 13.223 1.00 3.34 H new ATOM 0 HG2 GLN A 635 -11.694 6.061 12.980 1.00 32.12 H new ATOM 0 HG3 GLN A 635 -10.126 6.766 12.637 1.00 32.12 H new ATOM 0 HE21 GLN A 635 -8.900 6.199 14.359 1.00 54.43 H new ATOM 0 HE22 GLN A 635 -9.306 6.564 16.039 1.00 54.43 H new ATOM 1133 N GLN A 636 -10.729 6.616 9.827 1.00 61.51 N ATOM 1134 CA GLN A 636 -9.573 6.183 9.051 1.00 52.13 C ATOM 1135 C GLN A 636 -9.623 6.753 7.637 1.00 34.35 C ATOM 1136 O GLN A 636 -8.588 7.062 7.044 1.00 61.22 O ATOM 1137 CB GLN A 636 -9.512 4.657 8.996 1.00 1.34 C ATOM 1138 CG GLN A 636 -8.913 4.025 10.243 1.00 55.11 C ATOM 1139 CD GLN A 636 -7.433 4.317 10.390 1.00 71.30 C ATOM 1140 OE1 GLN A 636 -7.043 5.386 10.864 1.00 4.34 O ATOM 1141 NE2 GLN A 636 -6.599 3.367 9.986 1.00 11.13 N ATOM 0 H GLN A 636 -11.475 5.924 9.895 1.00 61.51 H new ATOM 0 HA GLN A 636 -8.675 6.558 9.543 1.00 52.13 H new ATOM 0 HB2 GLN A 636 -10.519 4.267 8.849 1.00 1.34 H new ATOM 0 HB3 GLN A 636 -8.924 4.356 8.129 1.00 1.34 H new ATOM 0 HG2 GLN A 636 -9.441 4.393 11.122 1.00 55.11 H new ATOM 0 HG3 GLN A 636 -9.065 2.946 10.208 1.00 55.11 H new ATOM 0 HE21 GLN A 636 -6.966 2.497 9.600 1.00 11.13 H new ATOM 0 HE22 GLN A 636 -5.591 3.507 10.062 1.00 11.13 H new ATOM 1148 N ARG A 637 -10.831 6.891 7.101 1.00 63.23 N ATOM 1149 CA ARG A 637 -11.015 7.423 5.757 1.00 2.20 C ATOM 1150 C ARG A 637 -11.036 8.948 5.773 1.00 23.01 C ATOM 1151 O ARG A 637 -11.958 9.561 6.311 1.00 60.32 O ATOM 1152 CB ARG A 637 -12.315 6.891 5.149 1.00 64.30 C ATOM 1153 CG ARG A 637 -12.331 6.916 3.629 1.00 50.32 C ATOM 1154 CD ARG A 637 -13.459 6.062 3.070 1.00 22.03 C ATOM 1155 NE ARG A 637 -14.678 6.837 2.857 1.00 63.13 N ATOM 1156 CZ ARG A 637 -14.865 7.642 1.818 1.00 75.33 C ATOM 1157 NH1 ARG A 637 -13.917 7.778 0.901 1.00 54.00 N ATOM 1158 NH2 ARG A 637 -16.003 8.315 1.693 1.00 65.24 N ATOM 0 H ARG A 637 -11.697 6.641 7.578 1.00 63.23 H new ATOM 0 HA ARG A 637 -10.174 7.095 5.146 1.00 2.20 H new ATOM 0 HB2 ARG A 637 -12.473 5.867 5.489 1.00 64.30 H new ATOM 0 HB3 ARG A 637 -13.150 7.483 5.523 1.00 64.30 H new ATOM 0 HG2 ARG A 637 -12.444 7.943 3.282 1.00 50.32 H new ATOM 0 HG3 ARG A 637 -11.376 6.554 3.248 1.00 50.32 H new ATOM 0 HD2 ARG A 637 -13.143 5.617 2.127 1.00 22.03 H new ATOM 0 HD3 ARG A 637 -13.667 5.241 3.756 1.00 22.03 H new ATOM 0 HE ARG A 637 -15.427 6.755 3.544 1.00 63.13 H new ATOM 0 HH11 ARG A 637 -13.041 7.263 0.993 1.00 54.00 H new ATOM 0 HH12 ARG A 637 -14.064 8.397 0.104 1.00 54.00 H new ATOM 0 HH21 ARG A 637 -16.735 8.214 2.396 1.00 65.24 H new ATOM 0 HH22 ARG A 637 -16.145 8.933 0.894 1.00 65.24 H new ATOM 1169 N ARG A 638 -10.013 9.555 5.180 1.00 31.51 N ATOM 1170 CA ARG A 638 -9.911 11.008 5.128 1.00 71.14 C ATOM 1171 C ARG A 638 -8.630 11.439 4.420 1.00 61.15 C ATOM 1172 O ARG A 638 -7.606 10.764 4.503 1.00 22.34 O ATOM 1173 CB ARG A 638 -9.948 11.594 6.541 1.00 63.50 C ATOM 1174 CG ARG A 638 -9.580 13.067 6.599 1.00 72.51 C ATOM 1175 CD ARG A 638 -10.591 13.924 5.852 1.00 2.11 C ATOM 1176 NE ARG A 638 -9.989 15.144 5.322 1.00 34.14 N ATOM 1177 CZ ARG A 638 -10.655 16.039 4.602 1.00 14.54 C ATOM 1178 NH1 ARG A 638 -11.938 15.851 4.325 1.00 62.35 N ATOM 1179 NH2 ARG A 638 -10.037 17.124 4.154 1.00 15.43 N ATOM 0 H ARG A 638 -9.243 9.062 4.729 1.00 31.51 H new ATOM 0 HA ARG A 638 -10.762 11.387 4.562 1.00 71.14 H new ATOM 0 HB2 ARG A 638 -10.948 11.461 6.954 1.00 63.50 H new ATOM 0 HB3 ARG A 638 -9.264 11.032 7.176 1.00 63.50 H new ATOM 0 HG2 ARG A 638 -9.526 13.389 7.639 1.00 72.51 H new ATOM 0 HG3 ARG A 638 -8.589 13.213 6.169 1.00 72.51 H new ATOM 0 HD2 ARG A 638 -11.021 13.347 5.033 1.00 2.11 H new ATOM 0 HD3 ARG A 638 -11.410 14.185 6.522 1.00 2.11 H new ATOM 0 HE ARG A 638 -9.003 15.318 5.515 1.00 34.14 H new ATOM 0 HH11 ARG A 638 -12.416 15.017 4.665 1.00 62.35 H new ATOM 0 HH12 ARG A 638 -12.447 16.541 3.772 1.00 62.35 H new ATOM 0 HH21 ARG A 638 -9.049 17.271 4.363 1.00 15.43 H new ATOM 0 HH22 ARG A 638 -10.549 17.811 3.601 1.00 15.43 H new ATOM 1190 N GLY A 639 -8.697 12.570 3.724 1.00 61.11 N ATOM 1191 CA GLY A 639 -7.537 13.071 3.011 1.00 72.43 C ATOM 1192 C GLY A 639 -7.583 12.751 1.530 1.00 45.02 C ATOM 1193 O GLY A 639 -7.018 11.751 1.088 1.00 73.12 O ATOM 0 H GLY A 639 -9.534 13.148 3.641 1.00 61.11 H new ATOM 0 HA2 GLY A 639 -7.471 14.151 3.144 1.00 72.43 H new ATOM 0 HA3 GLY A 639 -6.634 12.641 3.445 1.00 72.43 H new ATOM 1197 N GLU A 640 -8.258 13.600 0.763 1.00 52.24 N ATOM 1198 CA GLU A 640 -8.378 13.400 -0.677 1.00 25.20 C ATOM 1199 C GLU A 640 -9.109 12.097 -0.985 1.00 50.43 C ATOM 1200 O GLU A 640 -9.220 11.203 -0.146 1.00 70.05 O ATOM 1201 CB GLU A 640 -6.994 13.387 -1.328 1.00 33.25 C ATOM 1202 CG GLU A 640 -6.634 14.693 -2.018 1.00 4.25 C ATOM 1203 CD GLU A 640 -5.155 14.795 -2.336 1.00 2.32 C ATOM 1204 OE1 GLU A 640 -4.522 13.743 -2.565 1.00 73.23 O ATOM 1205 OE2 GLU A 640 -4.631 15.929 -2.357 1.00 22.24 O ATOM 0 H GLU A 640 -8.730 14.433 1.114 1.00 52.24 H new ATOM 0 HA GLU A 640 -8.957 14.227 -1.087 1.00 25.20 H new ATOM 0 HB2 GLU A 640 -6.245 13.170 -0.566 1.00 33.25 H new ATOM 0 HB3 GLU A 640 -6.952 12.577 -2.056 1.00 33.25 H new ATOM 0 HG2 GLU A 640 -7.207 14.782 -2.941 1.00 4.25 H new ATOM 0 HG3 GLU A 640 -6.923 15.528 -1.381 1.00 4.25 H new ATOM 1210 N PRO A 641 -9.623 11.985 -2.219 1.00 3.33 N ATOM 1211 CA PRO A 641 -10.353 10.796 -2.668 1.00 41.31 C ATOM 1212 C PRO A 641 -9.443 9.584 -2.832 1.00 63.51 C ATOM 1213 O PRO A 641 -8.401 9.660 -3.484 1.00 41.13 O ATOM 1214 CB PRO A 641 -10.925 11.221 -4.023 1.00 52.12 C ATOM 1215 CG PRO A 641 -10.005 12.291 -4.503 1.00 44.44 C ATOM 1216 CD PRO A 641 -9.529 13.011 -3.272 1.00 42.40 C ATOM 0 HA PRO A 641 -11.110 10.488 -1.947 1.00 41.31 H new ATOM 0 HB2 PRO A 641 -10.956 10.384 -4.720 1.00 52.12 H new ATOM 0 HB3 PRO A 641 -11.945 11.591 -3.924 1.00 52.12 H new ATOM 0 HG2 PRO A 641 -9.167 11.866 -5.055 1.00 44.44 H new ATOM 0 HG3 PRO A 641 -10.519 12.973 -5.180 1.00 44.44 H new ATOM 0 HD2 PRO A 641 -8.508 13.375 -3.389 1.00 42.40 H new ATOM 0 HD3 PRO A 641 -10.152 13.877 -3.047 1.00 42.40 H new ATOM 1221 N VAL A 642 -9.841 8.465 -2.234 1.00 12.32 N ATOM 1222 CA VAL A 642 -9.062 7.236 -2.314 1.00 44.40 C ATOM 1223 C VAL A 642 -9.484 6.395 -3.514 1.00 51.31 C ATOM 1224 O VAL A 642 -10.670 6.167 -3.758 1.00 22.33 O ATOM 1225 CB VAL A 642 -9.209 6.393 -1.033 1.00 1.31 C ATOM 1226 CG1 VAL A 642 -8.087 5.371 -0.935 1.00 32.34 C ATOM 1227 CG2 VAL A 642 -9.233 7.291 0.194 1.00 11.00 C ATOM 0 H VAL A 642 -10.699 8.385 -1.689 1.00 12.32 H new ATOM 0 HA VAL A 642 -8.019 7.530 -2.428 1.00 44.40 H new ATOM 0 HB VAL A 642 -10.155 5.854 -1.079 1.00 1.31 H new ATOM 0 HG11 VAL A 642 -8.207 4.785 -0.024 1.00 32.34 H new ATOM 0 HG12 VAL A 642 -8.122 4.709 -1.800 1.00 32.34 H new ATOM 0 HG13 VAL A 642 -7.127 5.886 -0.911 1.00 32.34 H new ATOM 0 HG21 VAL A 642 -9.337 6.680 1.090 1.00 11.00 H new ATOM 0 HG22 VAL A 642 -8.304 7.858 0.248 1.00 11.00 H new ATOM 0 HG23 VAL A 642 -10.075 7.980 0.124 1.00 11.00 H new ATOM 1237 N PRO A 643 -8.492 5.920 -4.282 1.00 54.22 N ATOM 1238 CA PRO A 643 -8.736 5.096 -5.470 1.00 4.13 C ATOM 1239 C PRO A 643 -9.256 3.707 -5.114 1.00 52.41 C ATOM 1240 O PRO A 643 -8.671 3.009 -4.287 1.00 31.02 O ATOM 1241 CB PRO A 643 -7.356 4.998 -6.124 1.00 23.51 C ATOM 1242 CG PRO A 643 -6.392 5.198 -5.005 1.00 72.44 C ATOM 1243 CD PRO A 643 -7.056 6.152 -4.052 1.00 51.23 C ATOM 0 HA PRO A 643 -9.499 5.529 -6.117 1.00 4.13 H new ATOM 0 HB2 PRO A 643 -7.212 4.029 -6.602 1.00 23.51 H new ATOM 0 HB3 PRO A 643 -7.229 5.757 -6.896 1.00 23.51 H new ATOM 0 HG2 PRO A 643 -6.163 4.252 -4.514 1.00 72.44 H new ATOM 0 HG3 PRO A 643 -5.449 5.605 -5.370 1.00 72.44 H new ATOM 0 HD2 PRO A 643 -6.776 5.947 -3.019 1.00 51.23 H new ATOM 0 HD3 PRO A 643 -6.778 7.185 -4.259 1.00 51.23 H new ATOM 1248 N GLN A 644 -10.358 3.314 -5.744 1.00 50.34 N ATOM 1249 CA GLN A 644 -10.957 2.008 -5.493 1.00 42.03 C ATOM 1250 C GLN A 644 -10.068 0.890 -6.027 1.00 33.21 C ATOM 1251 O GLN A 644 -10.131 -0.246 -5.556 1.00 11.31 O ATOM 1252 CB GLN A 644 -12.342 1.926 -6.137 1.00 11.33 C ATOM 1253 CG GLN A 644 -13.172 0.751 -5.646 1.00 1.55 C ATOM 1254 CD GLN A 644 -14.502 0.635 -6.365 1.00 20.32 C ATOM 1255 OE1 GLN A 644 -14.698 -0.254 -7.194 1.00 21.43 O ATOM 1256 NE2 GLN A 644 -15.425 1.536 -6.051 1.00 43.41 N ATOM 0 H GLN A 644 -10.854 3.881 -6.432 1.00 50.34 H new ATOM 0 HA GLN A 644 -11.058 1.884 -4.415 1.00 42.03 H new ATOM 0 HB2 GLN A 644 -12.882 2.851 -5.936 1.00 11.33 H new ATOM 0 HB3 GLN A 644 -12.227 1.852 -7.218 1.00 11.33 H new ATOM 0 HG2 GLN A 644 -12.607 -0.171 -5.784 1.00 1.55 H new ATOM 0 HG3 GLN A 644 -13.350 0.859 -4.576 1.00 1.55 H new ATOM 0 HE21 GLN A 644 -15.220 2.256 -5.358 1.00 43.41 H new ATOM 0 HE22 GLN A 644 -16.339 1.508 -6.503 1.00 43.41 H new ATOM 1263 N ASP A 645 -9.240 1.219 -7.012 1.00 2.13 N ATOM 1264 CA ASP A 645 -8.337 0.242 -7.610 1.00 2.00 C ATOM 1265 C ASP A 645 -7.341 -0.280 -6.579 1.00 15.24 C ATOM 1266 O ASP A 645 -7.130 -1.488 -6.460 1.00 75.51 O ATOM 1267 CB ASP A 645 -7.588 0.864 -8.791 1.00 42.41 C ATOM 1268 CG ASP A 645 -6.986 -0.181 -9.709 1.00 24.02 C ATOM 1269 OD1 ASP A 645 -7.582 -1.271 -9.839 1.00 1.03 O ATOM 1270 OD2 ASP A 645 -5.917 0.090 -10.296 1.00 64.23 O ATOM 0 H ASP A 645 -9.175 2.154 -7.413 1.00 2.13 H new ATOM 0 HA ASP A 645 -8.934 -0.596 -7.969 1.00 2.00 H new ATOM 0 HB2 ASP A 645 -8.272 1.493 -9.361 1.00 42.41 H new ATOM 0 HB3 ASP A 645 -6.797 1.512 -8.415 1.00 42.41 H new ATOM 1274 N LEU A 646 -6.730 0.638 -5.836 1.00 42.50 N ATOM 1275 CA LEU A 646 -5.756 0.270 -4.815 1.00 14.31 C ATOM 1276 C LEU A 646 -6.438 -0.397 -3.625 1.00 33.21 C ATOM 1277 O LEU A 646 -6.042 -1.482 -3.197 1.00 54.54 O ATOM 1278 CB LEU A 646 -4.986 1.507 -4.350 1.00 61.13 C ATOM 1279 CG LEU A 646 -4.501 2.451 -5.450 1.00 15.51 C ATOM 1280 CD1 LEU A 646 -3.552 3.493 -4.881 1.00 23.25 C ATOM 1281 CD2 LEU A 646 -3.828 1.666 -6.567 1.00 71.51 C ATOM 0 H LEU A 646 -6.892 1.641 -5.922 1.00 42.50 H new ATOM 0 HA LEU A 646 -5.057 -0.442 -5.254 1.00 14.31 H new ATOM 0 HB2 LEU A 646 -5.623 2.072 -3.670 1.00 61.13 H new ATOM 0 HB3 LEU A 646 -4.121 1.176 -3.776 1.00 61.13 H new ATOM 0 HG LEU A 646 -5.366 2.968 -5.866 1.00 15.51 H new ATOM 0 HD11 LEU A 646 -3.218 4.155 -5.680 1.00 23.25 H new ATOM 0 HD12 LEU A 646 -4.067 4.076 -4.118 1.00 23.25 H new ATOM 0 HD13 LEU A 646 -2.689 2.996 -4.437 1.00 23.25 H new ATOM 0 HD21 LEU A 646 -3.489 2.354 -7.342 1.00 71.51 H new ATOM 0 HD22 LEU A 646 -2.973 1.122 -6.165 1.00 71.51 H new ATOM 0 HD23 LEU A 646 -4.539 0.960 -6.995 1.00 71.51 H new ATOM 1292 N LEU A 647 -7.466 0.258 -3.097 1.00 62.04 N ATOM 1293 CA LEU A 647 -8.207 -0.273 -1.957 1.00 75.43 C ATOM 1294 C LEU A 647 -8.730 -1.675 -2.252 1.00 14.45 C ATOM 1295 O LEU A 647 -8.754 -2.537 -1.374 1.00 34.24 O ATOM 1296 CB LEU A 647 -9.371 0.654 -1.604 1.00 71.44 C ATOM 1297 CG LEU A 647 -8.991 2.057 -1.128 1.00 72.23 C ATOM 1298 CD1 LEU A 647 -10.236 2.901 -0.902 1.00 4.13 C ATOM 1299 CD2 LEU A 647 -8.159 1.982 0.145 1.00 40.20 C ATOM 0 H LEU A 647 -7.806 1.157 -3.439 1.00 62.04 H new ATOM 0 HA LEU A 647 -7.526 -0.331 -1.108 1.00 75.43 H new ATOM 0 HB2 LEU A 647 -10.011 0.751 -2.481 1.00 71.44 H new ATOM 0 HB3 LEU A 647 -9.966 0.177 -0.826 1.00 71.44 H new ATOM 0 HG LEU A 647 -8.391 2.532 -1.904 1.00 72.23 H new ATOM 0 HD11 LEU A 647 -9.945 3.895 -0.564 1.00 4.13 H new ATOM 0 HD12 LEU A 647 -10.794 2.984 -1.835 1.00 4.13 H new ATOM 0 HD13 LEU A 647 -10.863 2.429 -0.145 1.00 4.13 H new ATOM 0 HD21 LEU A 647 -7.898 2.989 0.469 1.00 40.20 H new ATOM 0 HD22 LEU A 647 -8.735 1.487 0.927 1.00 40.20 H new ATOM 0 HD23 LEU A 647 -7.248 1.416 -0.049 1.00 40.20 H new ATOM 1310 N ASP A 648 -9.146 -1.896 -3.495 1.00 72.53 N ATOM 1311 CA ASP A 648 -9.666 -3.194 -3.908 1.00 62.42 C ATOM 1312 C ASP A 648 -8.600 -4.276 -3.766 1.00 22.02 C ATOM 1313 O ASP A 648 -8.848 -5.335 -3.190 1.00 10.30 O ATOM 1314 CB ASP A 648 -10.160 -3.133 -5.353 1.00 51.45 C ATOM 1315 CG ASP A 648 -10.656 -4.476 -5.852 1.00 52.44 C ATOM 1316 OD1 ASP A 648 -9.814 -5.356 -6.124 1.00 41.42 O ATOM 1317 OD2 ASP A 648 -11.888 -4.646 -5.972 1.00 1.51 O ATOM 0 H ASP A 648 -9.133 -1.193 -4.234 1.00 72.53 H new ATOM 0 HA ASP A 648 -10.503 -3.447 -3.257 1.00 62.42 H new ATOM 0 HB2 ASP A 648 -10.964 -2.401 -5.428 1.00 51.45 H new ATOM 0 HB3 ASP A 648 -9.351 -2.786 -5.996 1.00 51.45 H new ATOM 1321 N ARG A 649 -7.413 -4.002 -4.298 1.00 25.43 N ATOM 1322 CA ARG A 649 -6.309 -4.953 -4.233 1.00 24.00 C ATOM 1323 C ARG A 649 -5.808 -5.107 -2.800 1.00 23.22 C ATOM 1324 O ARG A 649 -5.346 -6.178 -2.405 1.00 42.02 O ATOM 1325 CB ARG A 649 -5.163 -4.500 -5.139 1.00 2.32 C ATOM 1326 CG ARG A 649 -5.570 -4.325 -6.594 1.00 60.44 C ATOM 1327 CD ARG A 649 -5.315 -5.589 -7.399 1.00 14.34 C ATOM 1328 NE ARG A 649 -6.362 -6.588 -7.196 1.00 15.14 N ATOM 1329 CZ ARG A 649 -7.539 -6.553 -7.810 1.00 4.15 C ATOM 1330 NH1 ARG A 649 -7.819 -5.575 -8.662 1.00 24.20 N ATOM 1331 NH2 ARG A 649 -8.439 -7.499 -7.574 1.00 51.25 N ATOM 0 H ARG A 649 -7.191 -3.130 -4.778 1.00 25.43 H new ATOM 0 HA ARG A 649 -6.675 -5.920 -4.578 1.00 24.00 H new ATOM 0 HB2 ARG A 649 -4.767 -3.556 -4.765 1.00 2.32 H new ATOM 0 HB3 ARG A 649 -4.355 -5.230 -5.082 1.00 2.32 H new ATOM 0 HG2 ARG A 649 -6.627 -4.065 -6.649 1.00 60.44 H new ATOM 0 HG3 ARG A 649 -5.014 -3.495 -7.031 1.00 60.44 H new ATOM 0 HD2 ARG A 649 -5.254 -5.338 -8.458 1.00 14.34 H new ATOM 0 HD3 ARG A 649 -4.351 -6.011 -7.115 1.00 14.34 H new ATOM 0 HE ARG A 649 -6.179 -7.354 -6.548 1.00 15.14 H new ATOM 0 HH11 ARG A 649 -7.129 -4.847 -8.847 1.00 24.20 H new ATOM 0 HH12 ARG A 649 -8.724 -5.551 -9.132 1.00 24.20 H new ATOM 0 HH21 ARG A 649 -8.227 -8.253 -6.921 1.00 51.25 H new ATOM 0 HH22 ARG A 649 -9.343 -7.472 -8.046 1.00 51.25 H new ATOM 1342 N VAL A 650 -5.901 -4.031 -2.026 1.00 12.14 N ATOM 1343 CA VAL A 650 -5.458 -4.046 -0.638 1.00 64.31 C ATOM 1344 C VAL A 650 -6.249 -5.060 0.181 1.00 74.14 C ATOM 1345 O VAL A 650 -5.675 -5.871 0.909 1.00 14.11 O ATOM 1346 CB VAL A 650 -5.597 -2.656 0.011 1.00 62.14 C ATOM 1347 CG1 VAL A 650 -5.311 -2.732 1.503 1.00 24.30 C ATOM 1348 CG2 VAL A 650 -4.674 -1.656 -0.667 1.00 60.24 C ATOM 0 H VAL A 650 -6.280 -3.137 -2.338 1.00 12.14 H new ATOM 0 HA VAL A 650 -4.406 -4.331 -0.645 1.00 64.31 H new ATOM 0 HB VAL A 650 -6.624 -2.314 -0.121 1.00 62.14 H new ATOM 0 HG11 VAL A 650 -5.414 -1.741 1.944 1.00 24.30 H new ATOM 0 HG12 VAL A 650 -6.018 -3.414 1.975 1.00 24.30 H new ATOM 0 HG13 VAL A 650 -4.296 -3.096 1.661 1.00 24.30 H new ATOM 0 HG21 VAL A 650 -4.786 -0.680 -0.195 1.00 60.24 H new ATOM 0 HG22 VAL A 650 -3.641 -1.990 -0.569 1.00 60.24 H new ATOM 0 HG23 VAL A 650 -4.932 -1.580 -1.723 1.00 60.24 H new ATOM 1358 N LEU A 651 -7.570 -5.009 0.056 1.00 42.53 N ATOM 1359 CA LEU A 651 -8.443 -5.923 0.785 1.00 4.43 C ATOM 1360 C LEU A 651 -8.334 -7.339 0.227 1.00 45.52 C ATOM 1361 O LEU A 651 -8.569 -8.316 0.938 1.00 11.15 O ATOM 1362 CB LEU A 651 -9.894 -5.443 0.710 1.00 43.41 C ATOM 1363 CG LEU A 651 -10.321 -4.429 1.772 1.00 22.15 C ATOM 1364 CD1 LEU A 651 -9.328 -3.279 1.842 1.00 20.24 C ATOM 1365 CD2 LEU A 651 -11.721 -3.911 1.482 1.00 41.12 C ATOM 0 H LEU A 651 -8.061 -4.345 -0.543 1.00 42.53 H new ATOM 0 HA LEU A 651 -8.125 -5.937 1.828 1.00 4.43 H new ATOM 0 HB2 LEU A 651 -10.059 -5.001 -0.273 1.00 43.41 H new ATOM 0 HB3 LEU A 651 -10.548 -6.312 0.783 1.00 43.41 H new ATOM 0 HG LEU A 651 -10.334 -4.929 2.740 1.00 22.15 H new ATOM 0 HD11 LEU A 651 -9.648 -2.567 2.603 1.00 20.24 H new ATOM 0 HD12 LEU A 651 -8.342 -3.665 2.099 1.00 20.24 H new ATOM 0 HD13 LEU A 651 -9.282 -2.779 0.875 1.00 20.24 H new ATOM 0 HD21 LEU A 651 -12.008 -3.191 2.248 1.00 41.12 H new ATOM 0 HD22 LEU A 651 -11.735 -3.427 0.505 1.00 41.12 H new ATOM 0 HD23 LEU A 651 -12.425 -4.743 1.485 1.00 41.12 H new ATOM 1376 N ALA A 652 -7.976 -7.441 -1.048 1.00 4.41 N ATOM 1377 CA ALA A 652 -7.833 -8.737 -1.700 1.00 23.42 C ATOM 1378 C ALA A 652 -6.636 -9.502 -1.144 1.00 74.10 C ATOM 1379 O ALA A 652 -6.733 -10.691 -0.843 1.00 14.11 O ATOM 1380 CB ALA A 652 -7.695 -8.559 -3.205 1.00 65.10 C ATOM 0 H ALA A 652 -7.780 -6.642 -1.650 1.00 4.41 H new ATOM 0 HA ALA A 652 -8.731 -9.320 -1.495 1.00 23.42 H new ATOM 0 HB1 ALA A 652 -7.589 -9.535 -3.679 1.00 65.10 H new ATOM 0 HB2 ALA A 652 -8.582 -8.061 -3.595 1.00 65.10 H new ATOM 0 HB3 ALA A 652 -6.815 -7.954 -3.421 1.00 65.10 H new ATOM 1386 N ALA A 653 -5.509 -8.811 -1.011 1.00 63.40 N ATOM 1387 CA ALA A 653 -4.293 -9.425 -0.489 1.00 50.41 C ATOM 1388 C ALA A 653 -4.374 -9.602 1.023 1.00 31.21 C ATOM 1389 O ALA A 653 -4.041 -10.663 1.553 1.00 11.31 O ATOM 1390 CB ALA A 653 -3.078 -8.588 -0.861 1.00 1.40 C ATOM 0 H ALA A 653 -5.412 -7.826 -1.257 1.00 63.40 H new ATOM 0 HA ALA A 653 -4.191 -10.413 -0.939 1.00 50.41 H new ATOM 0 HB1 ALA A 653 -2.178 -9.058 -0.465 1.00 1.40 H new ATOM 0 HB2 ALA A 653 -3.003 -8.517 -1.946 1.00 1.40 H new ATOM 0 HB3 ALA A 653 -3.182 -7.589 -0.439 1.00 1.40 H new ATOM 1396 N HIS A 654 -4.817 -8.556 1.714 1.00 20.43 N ATOM 1397 CA HIS A 654 -4.939 -8.597 3.167 1.00 42.33 C ATOM 1398 C HIS A 654 -5.777 -9.794 3.608 1.00 12.21 C ATOM 1399 O HIS A 654 -5.429 -10.490 4.561 1.00 23.14 O ATOM 1400 CB HIS A 654 -5.569 -7.302 3.683 1.00 21.42 C ATOM 1401 CG HIS A 654 -5.862 -7.323 5.152 1.00 23.33 C ATOM 1402 ND1 HIS A 654 -6.942 -7.986 5.694 1.00 53.33 N ATOM 1403 CD2 HIS A 654 -5.207 -6.758 6.194 1.00 41.32 C ATOM 1404 CE1 HIS A 654 -6.942 -7.827 7.006 1.00 33.23 C ATOM 1405 NE2 HIS A 654 -5.898 -7.086 7.334 1.00 52.12 N ATOM 0 H HIS A 654 -5.097 -7.671 1.292 1.00 20.43 H new ATOM 0 HA HIS A 654 -3.939 -8.700 3.589 1.00 42.33 H new ATOM 0 HB2 HIS A 654 -4.899 -6.470 3.466 1.00 21.42 H new ATOM 0 HB3 HIS A 654 -6.495 -7.116 3.139 1.00 21.42 H new ATOM 0 HD2 HIS A 654 -4.309 -6.161 6.139 1.00 41.32 H new ATOM 0 HE1 HIS A 654 -7.670 -8.233 7.692 1.00 33.23 H new ATOM 0 HE2 HIS A 654 -5.646 -6.803 8.281 1.00 52.12 H new ATOM 1412 N ALA A 655 -6.883 -10.027 2.909 1.00 55.02 N ATOM 1413 CA ALA A 655 -7.769 -11.138 3.227 1.00 4.03 C ATOM 1414 C ALA A 655 -7.198 -12.459 2.717 1.00 74.25 C ATOM 1415 O ALA A 655 -7.171 -13.454 3.440 1.00 3.31 O ATOM 1416 CB ALA A 655 -9.151 -10.898 2.640 1.00 12.41 C ATOM 0 H ALA A 655 -7.186 -9.460 2.118 1.00 55.02 H new ATOM 0 HA ALA A 655 -7.854 -11.202 4.312 1.00 4.03 H new ATOM 0 HB1 ALA A 655 -9.802 -11.737 2.886 1.00 12.41 H new ATOM 0 HB2 ALA A 655 -9.569 -9.981 3.056 1.00 12.41 H new ATOM 0 HB3 ALA A 655 -9.075 -10.804 1.557 1.00 12.41 H new ATOM 1422 N TYR A 656 -6.745 -12.458 1.468 1.00 72.55 N ATOM 1423 CA TYR A 656 -6.178 -13.656 0.862 1.00 15.04 C ATOM 1424 C TYR A 656 -5.052 -14.222 1.721 1.00 51.21 C ATOM 1425 O TYR A 656 -5.028 -15.415 2.026 1.00 53.21 O ATOM 1426 CB TYR A 656 -5.655 -13.343 -0.541 1.00 10.15 C ATOM 1427 CG TYR A 656 -4.891 -14.486 -1.171 1.00 34.12 C ATOM 1428 CD1 TYR A 656 -5.557 -15.558 -1.750 1.00 65.34 C ATOM 1429 CD2 TYR A 656 -3.501 -14.490 -1.190 1.00 64.14 C ATOM 1430 CE1 TYR A 656 -4.863 -16.604 -2.325 1.00 20.32 C ATOM 1431 CE2 TYR A 656 -2.798 -15.532 -1.765 1.00 72.54 C ATOM 1432 CZ TYR A 656 -3.483 -16.586 -2.330 1.00 11.23 C ATOM 1433 OH TYR A 656 -2.788 -17.626 -2.905 1.00 63.13 O ATOM 0 H TYR A 656 -6.760 -11.642 0.857 1.00 72.55 H new ATOM 0 HA TYR A 656 -6.967 -14.405 0.791 1.00 15.04 H new ATOM 0 HB2 TYR A 656 -6.496 -13.081 -1.183 1.00 10.15 H new ATOM 0 HB3 TYR A 656 -5.007 -12.468 -0.491 1.00 10.15 H new ATOM 0 HD1 TYR A 656 -6.637 -15.574 -1.751 1.00 65.34 H new ATOM 0 HD2 TYR A 656 -2.961 -13.665 -0.748 1.00 64.14 H new ATOM 0 HE1 TYR A 656 -5.397 -17.432 -2.768 1.00 20.32 H new ATOM 0 HE2 TYR A 656 -1.718 -15.520 -1.771 1.00 72.54 H new ATOM 0 HH TYR A 656 -2.380 -17.323 -3.743 1.00 63.13 H new ATOM 1442 N TRP A 657 -4.121 -13.358 2.110 1.00 73.13 N ATOM 1443 CA TRP A 657 -2.993 -13.770 2.935 1.00 20.41 C ATOM 1444 C TRP A 657 -3.447 -14.108 4.351 1.00 53.14 C ATOM 1445 O TRP A 657 -2.876 -14.979 5.005 1.00 41.01 O ATOM 1446 CB TRP A 657 -1.934 -12.666 2.976 1.00 51.30 C ATOM 1447 CG TRP A 657 -1.073 -12.623 1.749 1.00 71.22 C ATOM 1448 CD1 TRP A 657 -1.245 -11.823 0.656 1.00 10.22 C ATOM 1449 CD2 TRP A 657 0.091 -13.414 1.491 1.00 24.55 C ATOM 1450 NE1 TRP A 657 -0.257 -12.070 -0.266 1.00 31.33 N ATOM 1451 CE2 TRP A 657 0.576 -13.041 0.222 1.00 42.33 C ATOM 1452 CE3 TRP A 657 0.773 -14.401 2.209 1.00 63.10 C ATOM 1453 CZ2 TRP A 657 1.709 -13.622 -0.341 1.00 70.12 C ATOM 1454 CZ3 TRP A 657 1.897 -14.976 1.649 1.00 14.23 C ATOM 1455 CH2 TRP A 657 2.357 -14.585 0.384 1.00 51.21 C ATOM 0 H TRP A 657 -4.126 -12.367 1.867 1.00 73.13 H new ATOM 0 HA TRP A 657 -2.558 -14.665 2.490 1.00 20.41 H new ATOM 0 HB2 TRP A 657 -2.429 -11.702 3.098 1.00 51.30 H new ATOM 0 HB3 TRP A 657 -1.300 -12.812 3.851 1.00 51.30 H new ATOM 0 HD1 TRP A 657 -2.040 -11.102 0.534 1.00 10.22 H new ATOM 0 HE1 TRP A 657 -0.160 -11.605 -1.169 1.00 31.33 H new ATOM 0 HE3 TRP A 657 0.427 -14.708 3.185 1.00 63.10 H new ATOM 0 HZ2 TRP A 657 2.064 -13.323 -1.316 1.00 70.12 H new ATOM 0 HZ3 TRP A 657 2.431 -15.740 2.195 1.00 14.23 H new ATOM 0 HH2 TRP A 657 3.240 -15.053 -0.026 1.00 51.21 H new ATOM 1465 N SER A 658 -4.479 -13.411 4.818 1.00 51.41 N ATOM 1466 CA SER A 658 -5.008 -13.636 6.158 1.00 73.02 C ATOM 1467 C SER A 658 -5.698 -14.993 6.250 1.00 22.54 C ATOM 1468 O SER A 658 -5.642 -15.661 7.282 1.00 33.32 O ATOM 1469 CB SER A 658 -5.992 -12.525 6.534 1.00 22.15 C ATOM 1470 OG SER A 658 -6.606 -12.788 7.783 1.00 12.05 O ATOM 0 H SER A 658 -4.964 -12.687 4.289 1.00 51.41 H new ATOM 0 HA SER A 658 -4.172 -13.625 6.858 1.00 73.02 H new ATOM 0 HB2 SER A 658 -5.468 -11.570 6.577 1.00 22.15 H new ATOM 0 HB3 SER A 658 -6.756 -12.435 5.762 1.00 22.15 H new ATOM 0 HG SER A 658 -7.228 -12.063 8.001 1.00 12.05 H new ATOM 1475 N GLN A 659 -6.348 -15.394 5.162 1.00 64.44 N ATOM 1476 CA GLN A 659 -7.049 -16.671 5.120 1.00 5.15 C ATOM 1477 C GLN A 659 -6.098 -17.803 4.745 1.00 13.43 C ATOM 1478 O GLN A 659 -6.093 -18.858 5.378 1.00 41.41 O ATOM 1479 CB GLN A 659 -8.206 -16.610 4.121 1.00 60.51 C ATOM 1480 CG GLN A 659 -9.127 -17.818 4.180 1.00 22.33 C ATOM 1481 CD GLN A 659 -9.958 -17.857 5.446 1.00 44.51 C ATOM 1482 OE1 GLN A 659 -9.622 -18.555 6.403 1.00 72.34 O ATOM 1483 NE2 GLN A 659 -11.053 -17.106 5.458 1.00 51.32 N ATOM 0 H GLN A 659 -6.403 -14.853 4.299 1.00 64.44 H new ATOM 0 HA GLN A 659 -7.447 -16.870 6.115 1.00 5.15 H new ATOM 0 HB2 GLN A 659 -8.790 -15.709 4.309 1.00 60.51 H new ATOM 0 HB3 GLN A 659 -7.800 -16.522 3.113 1.00 60.51 H new ATOM 0 HG2 GLN A 659 -9.790 -17.807 3.315 1.00 22.33 H new ATOM 0 HG3 GLN A 659 -8.531 -18.728 4.113 1.00 22.33 H new ATOM 0 HE21 GLN A 659 -11.294 -16.543 4.643 1.00 51.32 H new ATOM 0 HE22 GLN A 659 -11.653 -17.093 6.283 1.00 51.32 H new ATOM 1490 N GLN A 660 -5.295 -17.575 3.710 1.00 22.44 N ATOM 1491 CA GLN A 660 -4.340 -18.576 3.250 1.00 63.11 C ATOM 1492 C GLN A 660 -3.032 -17.922 2.815 1.00 0.20 C ATOM 1493 O GLN A 660 -2.772 -17.768 1.622 1.00 54.05 O ATOM 1494 CB GLN A 660 -4.930 -19.381 2.092 1.00 41.53 C ATOM 1495 CG GLN A 660 -4.158 -20.652 1.777 1.00 14.32 C ATOM 1496 CD GLN A 660 -4.825 -21.491 0.705 1.00 52.32 C ATOM 1497 OE1 GLN A 660 -5.979 -21.254 0.343 1.00 62.55 O ATOM 1498 NE2 GLN A 660 -4.102 -22.478 0.190 1.00 15.03 N ATOM 0 H GLN A 660 -5.287 -16.707 3.175 1.00 22.44 H new ATOM 0 HA GLN A 660 -4.130 -19.249 4.081 1.00 63.11 H new ATOM 0 HB2 GLN A 660 -5.961 -19.642 2.331 1.00 41.53 H new ATOM 0 HB3 GLN A 660 -4.958 -18.753 1.201 1.00 41.53 H new ATOM 0 HG2 GLN A 660 -3.151 -20.390 1.453 1.00 14.32 H new ATOM 0 HG3 GLN A 660 -4.056 -21.245 2.686 1.00 14.32 H new ATOM 0 HE21 GLN A 660 -3.150 -22.639 0.519 1.00 15.03 H new ATOM 0 HE22 GLN A 660 -4.498 -23.076 -0.535 1.00 15.03 H new ATOM 1505 N GLN A 661 -2.214 -17.540 3.790 1.00 61.52 N ATOM 1506 CA GLN A 661 -0.934 -16.902 3.507 1.00 13.12 C ATOM 1507 C GLN A 661 -0.096 -17.758 2.562 1.00 53.01 C ATOM 1508 O GLN A 661 0.519 -18.738 2.978 1.00 24.21 O ATOM 1509 CB GLN A 661 -0.166 -16.653 4.806 1.00 21.13 C ATOM 1510 CG GLN A 661 -0.137 -17.856 5.736 1.00 72.01 C ATOM 1511 CD GLN A 661 1.150 -17.949 6.531 1.00 35.05 C ATOM 1512 OE1 GLN A 661 1.587 -16.973 7.143 1.00 44.13 O ATOM 1513 NE2 GLN A 661 1.765 -19.125 6.526 1.00 23.30 N ATOM 0 H GLN A 661 -2.415 -17.661 4.783 1.00 61.52 H new ATOM 0 HA GLN A 661 -1.132 -15.946 3.022 1.00 13.12 H new ATOM 0 HB2 GLN A 661 0.857 -16.367 4.564 1.00 21.13 H new ATOM 0 HB3 GLN A 661 -0.618 -15.810 5.330 1.00 21.13 H new ATOM 0 HG2 GLN A 661 -0.981 -17.799 6.424 1.00 72.01 H new ATOM 0 HG3 GLN A 661 -0.264 -18.766 5.150 1.00 72.01 H new ATOM 0 HE21 GLN A 661 1.367 -19.906 6.005 1.00 23.30 H new ATOM 0 HE22 GLN A 661 2.636 -19.247 7.043 1.00 23.30 H new ATOM 1520 N GLY A 662 -0.078 -17.379 1.288 1.00 54.13 N ATOM 1521 CA GLY A 662 0.687 -18.122 0.304 1.00 11.51 C ATOM 1522 C GLY A 662 1.252 -17.231 -0.784 1.00 14.31 C ATOM 1523 O GLY A 662 0.608 -16.272 -1.209 1.00 73.11 O ATOM 0 H GLY A 662 -0.580 -16.571 0.920 1.00 54.13 H new ATOM 0 HA2 GLY A 662 1.504 -18.644 0.802 1.00 11.51 H new ATOM 0 HA3 GLY A 662 0.050 -18.883 -0.148 1.00 11.51 H new ATOM 1527 N LYS A 663 2.461 -17.547 -1.238 1.00 44.45 N ATOM 1528 CA LYS A 663 3.114 -16.770 -2.283 1.00 12.11 C ATOM 1529 C LYS A 663 2.197 -16.601 -3.490 1.00 44.02 C ATOM 1530 O LYS A 663 1.500 -17.535 -3.885 1.00 12.13 O ATOM 1531 CB LYS A 663 4.418 -17.447 -2.711 1.00 74.53 C ATOM 1532 CG LYS A 663 5.360 -17.738 -1.555 1.00 31.22 C ATOM 1533 CD LYS A 663 6.803 -17.838 -2.023 1.00 52.54 C ATOM 1534 CE LYS A 663 7.151 -19.253 -2.457 1.00 44.43 C ATOM 1535 NZ LYS A 663 8.514 -19.332 -3.050 1.00 3.11 N ATOM 0 H LYS A 663 3.008 -18.337 -0.897 1.00 44.45 H new ATOM 0 HA LYS A 663 3.339 -15.783 -1.879 1.00 12.11 H new ATOM 0 HB2 LYS A 663 4.182 -18.381 -3.221 1.00 74.53 H new ATOM 0 HB3 LYS A 663 4.928 -16.810 -3.433 1.00 74.53 H new ATOM 0 HG2 LYS A 663 5.273 -16.950 -0.806 1.00 31.22 H new ATOM 0 HG3 LYS A 663 5.068 -18.670 -1.072 1.00 31.22 H new ATOM 0 HD2 LYS A 663 6.966 -17.151 -2.854 1.00 52.54 H new ATOM 0 HD3 LYS A 663 7.470 -17.529 -1.218 1.00 52.54 H new ATOM 0 HE2 LYS A 663 7.089 -19.922 -1.598 1.00 44.43 H new ATOM 0 HE3 LYS A 663 6.418 -19.600 -3.185 1.00 44.43 H new ATOM 0 HZ1 LYS A 663 8.713 -20.313 -3.333 1.00 3.11 H new ATOM 0 HZ2 LYS A 663 8.566 -18.714 -3.884 1.00 3.11 H new ATOM 0 HZ3 LYS A 663 9.217 -19.025 -2.347 1.00 3.11 H new ATOM 1545 N GLN A 664 2.205 -15.406 -4.071 1.00 52.32 N ATOM 1546 CA GLN A 664 1.373 -15.117 -5.234 1.00 74.32 C ATOM 1547 C GLN A 664 2.196 -14.478 -6.347 1.00 22.45 C ATOM 1548 O GLN A 664 3.317 -14.021 -6.120 1.00 2.15 O ATOM 1549 CB GLN A 664 0.218 -14.193 -4.844 1.00 40.43 C ATOM 1550 CG GLN A 664 -0.928 -14.197 -5.842 1.00 44.32 C ATOM 1551 CD GLN A 664 -1.424 -15.595 -6.156 1.00 21.42 C ATOM 1552 OE1 GLN A 664 -1.710 -16.383 -5.253 1.00 30.55 O ATOM 1553 NE2 GLN A 664 -1.528 -15.913 -7.442 1.00 71.43 N ATOM 0 H GLN A 664 2.778 -14.623 -3.756 1.00 52.32 H new ATOM 0 HA GLN A 664 0.967 -16.059 -5.602 1.00 74.32 H new ATOM 0 HB2 GLN A 664 -0.161 -14.492 -3.867 1.00 40.43 H new ATOM 0 HB3 GLN A 664 0.596 -13.176 -4.742 1.00 40.43 H new ATOM 0 HG2 GLN A 664 -1.752 -13.604 -5.445 1.00 44.32 H new ATOM 0 HG3 GLN A 664 -0.603 -13.715 -6.764 1.00 44.32 H new ATOM 0 HE21 GLN A 664 -1.281 -15.230 -8.158 1.00 71.43 H new ATOM 0 HE22 GLN A 664 -1.855 -16.840 -7.713 1.00 71.43 H new ATOM 1560 N HIS A 665 1.635 -14.450 -7.551 1.00 5.32 N ATOM 1561 CA HIS A 665 2.317 -13.868 -8.701 1.00 74.31 C ATOM 1562 C HIS A 665 1.517 -12.703 -9.274 1.00 13.21 C ATOM 1563 O HIS A 665 0.307 -12.807 -9.477 1.00 71.00 O ATOM 1564 CB HIS A 665 2.541 -14.928 -9.779 1.00 4.34 C ATOM 1565 CG HIS A 665 3.632 -15.899 -9.447 1.00 24.34 C ATOM 1566 ND1 HIS A 665 4.946 -15.710 -9.818 1.00 64.31 N ATOM 1567 CD2 HIS A 665 3.598 -17.072 -8.773 1.00 63.15 C ATOM 1568 CE1 HIS A 665 5.673 -16.726 -9.387 1.00 23.21 C ATOM 1569 NE2 HIS A 665 4.879 -17.566 -8.749 1.00 41.22 N ATOM 0 H HIS A 665 0.708 -14.824 -7.756 1.00 5.32 H new ATOM 0 HA HIS A 665 3.284 -13.492 -8.367 1.00 74.31 H new ATOM 0 HB2 HIS A 665 1.612 -15.477 -9.935 1.00 4.34 H new ATOM 0 HB3 HIS A 665 2.781 -14.433 -10.720 1.00 4.34 H new ATOM 0 HD2 HIS A 665 2.725 -17.534 -8.335 1.00 63.15 H new ATOM 0 HE1 HIS A 665 6.736 -16.848 -9.532 1.00 23.21 H new ATOM 0 HE2 HIS A 665 5.170 -18.440 -8.310 1.00 41.22 H new ATOM 1576 N VAL A 666 2.201 -11.593 -9.534 1.00 55.02 N ATOM 1577 CA VAL A 666 1.553 -10.407 -10.086 1.00 25.22 C ATOM 1578 C VAL A 666 2.511 -9.621 -10.973 1.00 14.13 C ATOM 1579 O VAL A 666 3.629 -10.062 -11.239 1.00 70.30 O ATOM 1580 CB VAL A 666 1.029 -9.484 -8.970 1.00 4.13 C ATOM 1581 CG1 VAL A 666 0.087 -10.243 -8.047 1.00 34.43 C ATOM 1582 CG2 VAL A 666 2.188 -8.886 -8.186 1.00 52.10 C ATOM 0 H VAL A 666 3.203 -11.490 -9.372 1.00 55.02 H new ATOM 0 HA VAL A 666 0.711 -10.755 -10.685 1.00 25.22 H new ATOM 0 HB VAL A 666 0.471 -8.668 -9.429 1.00 4.13 H new ATOM 0 HG11 VAL A 666 -0.273 -9.575 -7.265 1.00 34.43 H new ATOM 0 HG12 VAL A 666 -0.760 -10.619 -8.621 1.00 34.43 H new ATOM 0 HG13 VAL A 666 0.618 -11.080 -7.593 1.00 34.43 H new ATOM 0 HG21 VAL A 666 1.800 -8.236 -7.401 1.00 52.10 H new ATOM 0 HG22 VAL A 666 2.775 -9.687 -7.737 1.00 52.10 H new ATOM 0 HG23 VAL A 666 2.821 -8.306 -8.858 1.00 52.10 H new ATOM 1592 N GLU A 667 2.065 -8.455 -11.428 1.00 74.01 N ATOM 1593 CA GLU A 667 2.883 -7.606 -12.287 1.00 25.31 C ATOM 1594 C GLU A 667 3.447 -6.424 -11.504 1.00 13.13 C ATOM 1595 O GLU A 667 2.754 -5.779 -10.718 1.00 43.44 O ATOM 1596 CB GLU A 667 2.062 -7.102 -13.474 1.00 54.32 C ATOM 1597 CG GLU A 667 2.851 -6.222 -14.431 1.00 65.35 C ATOM 1598 CD GLU A 667 3.542 -7.019 -15.520 1.00 22.33 C ATOM 1599 OE1 GLU A 667 3.761 -8.232 -15.318 1.00 0.32 O ATOM 1600 OE2 GLU A 667 3.864 -6.431 -16.573 1.00 72.42 O ATOM 0 H GLU A 667 1.142 -8.076 -11.216 1.00 74.01 H new ATOM 0 HA GLU A 667 3.715 -8.203 -12.659 1.00 25.31 H new ATOM 0 HB2 GLU A 667 1.668 -7.958 -14.022 1.00 54.32 H new ATOM 0 HB3 GLU A 667 1.205 -6.541 -13.100 1.00 54.32 H new ATOM 0 HG2 GLU A 667 2.179 -5.495 -14.888 1.00 65.35 H new ATOM 0 HG3 GLU A 667 3.596 -5.658 -13.870 1.00 65.35 H new ATOM 1605 N PRO A 668 4.738 -6.131 -11.725 1.00 60.04 N ATOM 1606 CA PRO A 668 5.425 -5.025 -11.051 1.00 50.14 C ATOM 1607 C PRO A 668 4.933 -3.662 -11.525 1.00 42.54 C ATOM 1608 O PRO A 668 3.947 -3.567 -12.257 1.00 13.22 O ATOM 1609 CB PRO A 668 6.891 -5.229 -11.439 1.00 73.30 C ATOM 1610 CG PRO A 668 6.842 -5.976 -12.728 1.00 55.23 C ATOM 1611 CD PRO A 668 5.626 -6.856 -12.649 1.00 53.41 C ATOM 0 HA PRO A 668 5.250 -5.032 -9.975 1.00 50.14 H new ATOM 0 HB2 PRO A 668 7.406 -4.275 -11.554 1.00 73.30 H new ATOM 0 HB3 PRO A 668 7.428 -5.792 -10.675 1.00 73.30 H new ATOM 0 HG2 PRO A 668 6.774 -5.292 -13.574 1.00 55.23 H new ATOM 0 HG3 PRO A 668 7.745 -6.570 -12.870 1.00 55.23 H new ATOM 0 HD2 PRO A 668 5.164 -6.991 -13.627 1.00 53.41 H new ATOM 0 HD3 PRO A 668 5.873 -7.849 -12.273 1.00 53.41 H new ATOM 1616 N LEU A 669 5.625 -2.609 -11.104 1.00 21.13 N ATOM 1617 CA LEU A 669 5.258 -1.250 -11.487 1.00 0.13 C ATOM 1618 C LEU A 669 6.303 -0.248 -11.004 1.00 41.53 C ATOM 1619 O LEU A 669 6.476 -0.047 -9.802 1.00 21.30 O ATOM 1620 CB LEU A 669 3.887 -0.890 -10.914 1.00 11.23 C ATOM 1621 CG LEU A 669 3.062 0.111 -11.725 1.00 3.04 C ATOM 1622 CD1 LEU A 669 3.774 1.453 -11.798 1.00 53.44 C ATOM 1623 CD2 LEU A 669 2.792 -0.429 -13.122 1.00 34.13 C ATOM 0 H LEU A 669 6.443 -2.670 -10.498 1.00 21.13 H new ATOM 0 HA LEU A 669 5.213 -1.205 -12.575 1.00 0.13 H new ATOM 0 HB2 LEU A 669 3.307 -1.807 -10.809 1.00 11.23 H new ATOM 0 HB3 LEU A 669 4.029 -0.486 -9.912 1.00 11.23 H new ATOM 0 HG LEU A 669 2.106 0.257 -11.223 1.00 3.04 H new ATOM 0 HD11 LEU A 669 3.173 2.153 -12.379 1.00 53.44 H new ATOM 0 HD12 LEU A 669 3.916 1.845 -10.791 1.00 53.44 H new ATOM 0 HD13 LEU A 669 4.745 1.324 -12.277 1.00 53.44 H new ATOM 0 HD21 LEU A 669 2.204 0.296 -13.685 1.00 34.13 H new ATOM 0 HD22 LEU A 669 3.738 -0.604 -13.634 1.00 34.13 H new ATOM 0 HD23 LEU A 669 2.240 -1.366 -13.049 1.00 34.13 H new ATOM 1634 N LYS A 670 6.994 0.381 -11.949 1.00 3.55 N ATOM 1635 CA LYS A 670 8.018 1.365 -11.621 1.00 3.54 C ATOM 1636 C LYS A 670 7.462 2.441 -10.695 1.00 23.24 C ATOM 1637 O LYS A 670 6.255 2.514 -10.467 1.00 1.33 O ATOM 1638 CB LYS A 670 8.563 2.008 -12.899 1.00 22.14 C ATOM 1639 CG LYS A 670 7.516 2.775 -13.688 1.00 0.11 C ATOM 1640 CD LYS A 670 6.888 1.910 -14.769 1.00 25.44 C ATOM 1641 CE LYS A 670 6.392 2.749 -15.936 1.00 20.12 C ATOM 1642 NZ LYS A 670 5.025 3.285 -15.691 1.00 13.42 N ATOM 0 H LYS A 670 6.863 0.226 -12.949 1.00 3.55 H new ATOM 0 HA LYS A 670 8.829 0.851 -11.105 1.00 3.54 H new ATOM 0 HB2 LYS A 670 9.376 2.685 -12.637 1.00 22.14 H new ATOM 0 HB3 LYS A 670 8.987 1.231 -13.534 1.00 22.14 H new ATOM 0 HG2 LYS A 670 6.740 3.134 -13.012 1.00 0.11 H new ATOM 0 HG3 LYS A 670 7.973 3.653 -14.143 1.00 0.11 H new ATOM 0 HD2 LYS A 670 7.619 1.184 -15.126 1.00 25.44 H new ATOM 0 HD3 LYS A 670 6.057 1.345 -14.347 1.00 25.44 H new ATOM 0 HE2 LYS A 670 7.081 3.576 -16.108 1.00 20.12 H new ATOM 0 HE3 LYS A 670 6.388 2.144 -16.843 1.00 20.12 H new ATOM 0 HZ1 LYS A 670 4.722 3.851 -16.509 1.00 13.42 H new ATOM 0 HZ2 LYS A 670 4.362 2.496 -15.552 1.00 13.42 H new ATOM 0 HZ3 LYS A 670 5.034 3.883 -14.840 1.00 13.42 H new ATOM 1652 N ILE A 671 8.351 3.275 -10.164 1.00 2.32 N ATOM 1653 CA ILE A 671 7.947 4.348 -9.264 1.00 34.22 C ATOM 1654 C ILE A 671 8.969 5.480 -9.267 1.00 72.43 C ATOM 1655 O ILE A 671 10.172 5.245 -9.391 1.00 71.11 O ATOM 1656 CB ILE A 671 7.768 3.837 -7.822 1.00 20.22 C ATOM 1657 CG1 ILE A 671 7.296 4.971 -6.911 1.00 22.44 C ATOM 1658 CG2 ILE A 671 9.069 3.241 -7.306 1.00 33.24 C ATOM 1659 CD1 ILE A 671 6.960 4.519 -5.508 1.00 65.31 C ATOM 0 H ILE A 671 9.354 3.228 -10.342 1.00 2.32 H new ATOM 0 HA ILE A 671 6.991 4.723 -9.629 1.00 34.22 H new ATOM 0 HB ILE A 671 7.008 3.056 -7.821 1.00 20.22 H new ATOM 0 HG12 ILE A 671 8.073 5.734 -6.862 1.00 22.44 H new ATOM 0 HG13 ILE A 671 6.417 5.439 -7.353 1.00 22.44 H new ATOM 0 HG21 ILE A 671 8.926 2.884 -6.286 1.00 33.24 H new ATOM 0 HG22 ILE A 671 9.366 2.408 -7.943 1.00 33.24 H new ATOM 0 HG23 ILE A 671 9.848 4.003 -7.318 1.00 33.24 H new ATOM 0 HD11 ILE A 671 6.633 5.375 -4.918 1.00 65.31 H new ATOM 0 HD12 ILE A 671 6.161 3.778 -5.546 1.00 65.31 H new ATOM 0 HD13 ILE A 671 7.843 4.077 -5.047 1.00 65.31 H new ATOM 1670 N LEU A 672 8.483 6.708 -9.128 1.00 60.53 N ATOM 1671 CA LEU A 672 9.354 7.878 -9.111 1.00 51.04 C ATOM 1672 C LEU A 672 9.122 8.713 -7.855 1.00 22.13 C ATOM 1673 O LEU A 672 8.099 8.572 -7.185 1.00 72.13 O ATOM 1674 CB LEU A 672 9.114 8.734 -10.357 1.00 23.44 C ATOM 1675 CG LEU A 672 10.237 9.703 -10.732 1.00 44.44 C ATOM 1676 CD1 LEU A 672 11.522 8.943 -11.023 1.00 54.13 C ATOM 1677 CD2 LEU A 672 9.832 10.549 -11.929 1.00 74.00 C ATOM 0 H LEU A 672 7.490 6.920 -9.025 1.00 60.53 H new ATOM 0 HA LEU A 672 10.387 7.531 -9.108 1.00 51.04 H new ATOM 0 HB2 LEU A 672 8.938 8.069 -11.202 1.00 23.44 H new ATOM 0 HB3 LEU A 672 8.200 9.309 -10.208 1.00 23.44 H new ATOM 0 HG LEU A 672 10.416 10.368 -9.887 1.00 44.44 H new ATOM 0 HD11 LEU A 672 12.310 9.648 -11.288 1.00 54.13 H new ATOM 0 HD12 LEU A 672 11.821 8.381 -10.138 1.00 54.13 H new ATOM 0 HD13 LEU A 672 11.358 8.254 -11.852 1.00 54.13 H new ATOM 0 HD21 LEU A 672 10.642 11.233 -12.182 1.00 74.00 H new ATOM 0 HD22 LEU A 672 9.625 9.900 -12.780 1.00 74.00 H new ATOM 0 HD23 LEU A 672 8.937 11.122 -11.684 1.00 74.00 H new ATOM 1688 N ASP A 673 10.076 9.583 -7.545 1.00 31.42 N ATOM 1689 CA ASP A 673 9.975 10.443 -6.372 1.00 61.11 C ATOM 1690 C ASP A 673 10.226 11.901 -6.743 1.00 3.44 C ATOM 1691 O ASP A 673 11.243 12.230 -7.354 1.00 2.11 O ATOM 1692 CB ASP A 673 10.971 9.998 -5.299 1.00 63.00 C ATOM 1693 CG ASP A 673 10.657 8.619 -4.754 1.00 24.11 C ATOM 1694 OD1 ASP A 673 9.460 8.306 -4.584 1.00 2.15 O ATOM 1695 OD2 ASP A 673 11.609 7.852 -4.496 1.00 44.42 O ATOM 0 H ASP A 673 10.929 9.712 -8.090 1.00 31.42 H new ATOM 0 HA ASP A 673 8.963 10.357 -5.976 1.00 61.11 H new ATOM 0 HB2 ASP A 673 11.977 9.999 -5.718 1.00 63.00 H new ATOM 0 HB3 ASP A 673 10.966 10.719 -4.481 1.00 63.00 H new ATOM 1699 N ALA A 674 9.292 12.770 -6.371 1.00 71.30 N ATOM 1700 CA ALA A 674 9.413 14.193 -6.664 1.00 43.22 C ATOM 1701 C ALA A 674 9.470 15.015 -5.381 1.00 44.40 C ATOM 1702 O ALA A 674 10.077 16.085 -5.344 1.00 64.35 O ATOM 1703 CB ALA A 674 8.254 14.652 -7.537 1.00 44.40 C ATOM 0 H ALA A 674 8.443 12.514 -5.866 1.00 71.30 H new ATOM 0 HA ALA A 674 10.346 14.349 -7.206 1.00 43.22 H new ATOM 0 HB1 ALA A 674 8.357 15.716 -7.748 1.00 44.40 H new ATOM 0 HB2 ALA A 674 8.261 14.094 -8.473 1.00 44.40 H new ATOM 0 HB3 ALA A 674 7.313 14.475 -7.016 1.00 44.40 H new ATOM 1709 N LYS A 675 8.830 14.509 -4.332 1.00 74.53 N ATOM 1710 CA LYS A 675 8.808 15.196 -3.045 1.00 12.41 C ATOM 1711 C LYS A 675 10.224 15.501 -2.566 1.00 5.21 C ATOM 1712 O LYS A 675 11.023 14.592 -2.345 1.00 22.13 O ATOM 1713 CB LYS A 675 8.077 14.346 -2.003 1.00 75.42 C ATOM 1714 CG LYS A 675 8.119 14.932 -0.603 1.00 51.15 C ATOM 1715 CD LYS A 675 7.530 13.975 0.420 1.00 30.32 C ATOM 1716 CE LYS A 675 8.093 14.231 1.810 1.00 51.52 C ATOM 1717 NZ LYS A 675 7.972 15.662 2.204 1.00 32.03 N ATOM 0 H LYS A 675 8.320 13.626 -4.347 1.00 74.53 H new ATOM 0 HA LYS A 675 8.277 16.139 -3.174 1.00 12.41 H new ATOM 0 HB2 LYS A 675 7.037 14.228 -2.307 1.00 75.42 H new ATOM 0 HB3 LYS A 675 8.519 13.350 -1.984 1.00 75.42 H new ATOM 0 HG2 LYS A 675 9.150 15.163 -0.335 1.00 51.15 H new ATOM 0 HG3 LYS A 675 7.567 15.871 -0.584 1.00 51.15 H new ATOM 0 HD2 LYS A 675 6.446 14.084 0.440 1.00 30.32 H new ATOM 0 HD3 LYS A 675 7.742 12.948 0.124 1.00 30.32 H new ATOM 0 HE2 LYS A 675 7.567 13.609 2.535 1.00 51.52 H new ATOM 0 HE3 LYS A 675 9.142 13.935 1.837 1.00 51.52 H new ATOM 0 HZ1 LYS A 675 8.158 15.759 3.223 1.00 32.03 H new ATOM 0 HZ2 LYS A 675 8.662 16.228 1.671 1.00 32.03 H new ATOM 0 HZ3 LYS A 675 7.011 16.000 1.994 1.00 32.03 H new ATOM 1727 N ALA A 676 10.526 16.785 -2.406 1.00 21.41 N ATOM 1728 CA ALA A 676 11.844 17.208 -1.949 1.00 53.32 C ATOM 1729 C ALA A 676 11.826 17.550 -0.464 1.00 63.45 C ATOM 1730 O ALA A 676 12.489 16.894 0.341 1.00 55.11 O ATOM 1731 CB ALA A 676 12.325 18.401 -2.762 1.00 24.23 C ATOM 0 H ALA A 676 9.876 17.550 -2.586 1.00 21.41 H new ATOM 0 HA ALA A 676 12.536 16.379 -2.095 1.00 53.32 H new ATOM 0 HB1 ALA A 676 13.310 18.707 -2.411 1.00 24.23 H new ATOM 0 HB2 ALA A 676 12.385 18.124 -3.814 1.00 24.23 H new ATOM 0 HB3 ALA A 676 11.625 19.228 -2.644 1.00 24.23 H new ATOM 1737 N GLN A 677 11.066 18.580 -0.107 1.00 2.31 N ATOM 1738 CA GLN A 677 10.964 19.009 1.283 1.00 24.42 C ATOM 1739 C GLN A 677 9.509 19.039 1.738 1.00 61.04 C ATOM 1740 O GLN A 677 8.591 18.899 0.931 1.00 14.42 O ATOM 1741 CB GLN A 677 11.595 20.392 1.459 1.00 64.22 C ATOM 1742 CG GLN A 677 11.227 21.373 0.358 1.00 62.01 C ATOM 1743 CD GLN A 677 9.739 21.657 0.303 1.00 75.32 C ATOM 1744 OE1 GLN A 677 9.106 21.911 1.328 1.00 74.21 O ATOM 1745 NE2 GLN A 677 9.173 21.618 -0.897 1.00 13.32 N ATOM 0 H GLN A 677 10.512 19.133 -0.761 1.00 2.31 H new ATOM 0 HA GLN A 677 11.503 18.290 1.900 1.00 24.42 H new ATOM 0 HB2 GLN A 677 11.285 20.804 2.420 1.00 64.22 H new ATOM 0 HB3 GLN A 677 12.679 20.286 1.492 1.00 64.22 H new ATOM 0 HG2 GLN A 677 11.766 22.308 0.514 1.00 62.01 H new ATOM 0 HG3 GLN A 677 11.553 20.974 -0.603 1.00 62.01 H new ATOM 0 HE21 GLN A 677 9.736 21.403 -1.720 1.00 13.32 H new ATOM 0 HE22 GLN A 677 8.175 21.803 -0.996 1.00 13.32 H new ATOM 1752 N LYS A 678 9.305 19.220 3.039 1.00 34.11 N ATOM 1753 CA LYS A 678 7.962 19.270 3.604 1.00 40.23 C ATOM 1754 C LYS A 678 7.630 20.675 4.097 1.00 3.44 C ATOM 1755 O LYS A 678 8.491 21.554 4.123 1.00 52.23 O ATOM 1756 CB LYS A 678 7.833 18.271 4.755 1.00 63.11 C ATOM 1757 CG LYS A 678 6.425 17.734 4.942 1.00 2.43 C ATOM 1758 CD LYS A 678 6.429 16.387 5.644 1.00 3.23 C ATOM 1759 CE LYS A 678 5.042 16.012 6.140 1.00 53.33 C ATOM 1760 NZ LYS A 678 4.129 15.653 5.019 1.00 32.40 N ATOM 0 H LYS A 678 10.054 19.335 3.722 1.00 34.11 H new ATOM 0 HA LYS A 678 7.255 19.003 2.818 1.00 40.23 H new ATOM 0 HB2 LYS A 678 8.510 17.436 4.577 1.00 63.11 H new ATOM 0 HB3 LYS A 678 8.155 18.751 5.679 1.00 63.11 H new ATOM 0 HG2 LYS A 678 5.838 18.446 5.522 1.00 2.43 H new ATOM 0 HG3 LYS A 678 5.940 17.637 3.971 1.00 2.43 H new ATOM 0 HD2 LYS A 678 6.791 15.620 4.959 1.00 3.23 H new ATOM 0 HD3 LYS A 678 7.122 16.416 6.485 1.00 3.23 H new ATOM 0 HE2 LYS A 678 5.118 15.171 6.830 1.00 53.33 H new ATOM 0 HE3 LYS A 678 4.619 16.846 6.700 1.00 53.33 H new ATOM 0 HZ1 LYS A 678 3.194 15.404 5.399 1.00 32.40 H new ATOM 0 HZ2 LYS A 678 4.036 16.464 4.374 1.00 32.40 H new ATOM 0 HZ3 LYS A 678 4.519 14.841 4.500 1.00 32.40 H new ATOM 1770 N VAL A 679 6.375 20.879 4.487 1.00 63.42 N ATOM 1771 CA VAL A 679 5.931 22.176 4.982 1.00 52.52 C ATOM 1772 C VAL A 679 5.875 22.194 6.505 1.00 42.01 C ATOM 1773 O VAL A 679 6.090 23.231 7.133 1.00 13.42 O ATOM 1774 CB VAL A 679 4.542 22.543 4.424 1.00 32.12 C ATOM 1775 CG1 VAL A 679 3.484 21.589 4.955 1.00 71.25 C ATOM 1776 CG2 VAL A 679 4.194 23.984 4.768 1.00 2.14 C ATOM 0 H VAL A 679 5.649 20.163 4.469 1.00 63.42 H new ATOM 0 HA VAL A 679 6.659 22.912 4.640 1.00 52.52 H new ATOM 0 HB VAL A 679 4.569 22.449 3.338 1.00 32.12 H new ATOM 0 HG11 VAL A 679 2.510 21.864 4.550 1.00 71.25 H new ATOM 0 HG12 VAL A 679 3.728 20.570 4.653 1.00 71.25 H new ATOM 0 HG13 VAL A 679 3.454 21.648 6.043 1.00 71.25 H new ATOM 0 HG21 VAL A 679 3.210 24.226 4.366 1.00 2.14 H new ATOM 0 HG22 VAL A 679 4.184 24.107 5.851 1.00 2.14 H new ATOM 0 HG23 VAL A 679 4.938 24.652 4.333 1.00 2.14 H new ATOM 1786 N GLY A 680 5.586 21.038 7.095 1.00 62.41 N ATOM 1787 CA GLY A 680 5.508 20.943 8.541 1.00 42.21 C ATOM 1788 C GLY A 680 4.355 21.742 9.113 1.00 40.04 C ATOM 1789 O GLY A 680 4.535 22.521 10.049 1.00 64.34 O ATOM 0 H GLY A 680 5.405 20.166 6.598 1.00 62.41 H new ATOM 0 HA2 GLY A 680 5.399 19.897 8.828 1.00 42.21 H new ATOM 0 HA3 GLY A 680 6.443 21.297 8.976 1.00 42.21 H new ATOM 1793 N ALA A 681 3.167 21.552 8.549 1.00 73.22 N ATOM 1794 CA ALA A 681 1.980 22.262 9.010 1.00 13.51 C ATOM 1795 C ALA A 681 0.972 21.301 9.629 1.00 44.51 C ATOM 1796 O ALA A 681 1.126 20.082 9.540 1.00 23.41 O ATOM 1797 CB ALA A 681 1.344 23.028 7.858 1.00 65.34 C ATOM 0 H ALA A 681 3.001 20.912 7.772 1.00 73.22 H new ATOM 0 HA ALA A 681 2.286 22.971 9.779 1.00 13.51 H new ATOM 0 HB1 ALA A 681 0.459 23.554 8.215 1.00 65.34 H new ATOM 0 HB2 ALA A 681 2.059 23.749 7.462 1.00 65.34 H new ATOM 0 HB3 ALA A 681 1.058 22.330 7.071 1.00 65.34 H new TER 1803 ALA A 681