USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=16 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 629 THR OG1 : rot 72:sc= 1.23 USER MOD Set 1.2: A 636 GLN : amide:sc= -0.707 X(o=0.53,f=0.16) USER MOD Single : A 563 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.0029) USER MOD Single : A 564 GLN : amide:sc= 0.146 K(o=0.15,f=-0.47) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 SER OG : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 573 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 581 SER OG : rot 180:sc= 0 USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 LYS NZ :NH3+ -145:sc= 0.584 (180deg=-1.72!) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.253 K(o=-0.25,f=-4.1!) USER MOD Single : A 613 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.37) USER MOD Single : A 615 THR OG1 : rot 180:sc= 0 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+ -133:sc= -0.431 (180deg=-1.62!) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HD1:sc=-0.00678 X(o=-0.0068,f=-0.00067) USER MOD Single : A 631 SER OG : rot 56:sc= 1.18 USER MOD Single : A 635 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 644 GLN : amide:sc= -0.0599 K(o=-0.06,f=-0.62) USER MOD Single : A 654 HIS : no HE2:sc= -8.58! C(o=-8.6!,f=-11!) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= -0.416 K(o=-0.42,f=-1) USER MOD Single : A 660 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 661 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 663 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 664 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 665 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 670 LYS NZ :NH3+ 154:sc= -0.394 (180deg=-1.22) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 678 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 561 34.734 -0.986 -7.424 1.00 14.30 N ATOM 2 CA PRO A 561 33.425 -1.620 -7.240 1.00 30.21 C ATOM 3 C PRO A 561 32.374 -0.643 -6.725 1.00 41.23 C ATOM 4 O PRO A 561 32.052 -0.632 -5.536 1.00 31.40 O ATOM 5 CB PRO A 561 33.701 -2.708 -6.199 1.00 1.11 C ATOM 6 CG PRO A 561 34.889 -2.218 -5.446 1.00 51.43 C ATOM 7 CD PRO A 561 35.722 -1.453 -6.437 1.00 64.21 C ATOM 0 HA PRO A 561 33.022 -2.001 -8.178 1.00 30.21 H new ATOM 0 HB2 PRO A 561 32.845 -2.851 -5.539 1.00 1.11 H new ATOM 0 HB3 PRO A 561 33.902 -3.669 -6.674 1.00 1.11 H new ATOM 0 HG2 PRO A 561 34.588 -1.580 -4.615 1.00 51.43 H new ATOM 0 HG3 PRO A 561 35.452 -3.049 -5.022 1.00 51.43 H new ATOM 0 HD2 PRO A 561 36.244 -0.620 -5.965 1.00 64.21 H new ATOM 0 HD3 PRO A 561 36.481 -2.085 -6.897 1.00 64.21 H new ATOM 12 N VAL A 562 31.841 0.176 -7.626 1.00 54.22 N ATOM 13 CA VAL A 562 30.825 1.156 -7.262 1.00 55.43 C ATOM 14 C VAL A 562 29.541 0.472 -6.806 1.00 14.02 C ATOM 15 O VAL A 562 28.761 1.040 -6.044 1.00 11.15 O ATOM 16 CB VAL A 562 30.504 2.095 -8.440 1.00 65.14 C ATOM 17 CG1 VAL A 562 31.754 2.834 -8.890 1.00 75.11 C ATOM 18 CG2 VAL A 562 29.893 1.313 -9.593 1.00 42.44 C ATOM 0 H VAL A 562 32.096 0.180 -8.614 1.00 54.22 H new ATOM 0 HA VAL A 562 31.232 1.744 -6.439 1.00 55.43 H new ATOM 0 HB VAL A 562 29.776 2.833 -8.105 1.00 65.14 H new ATOM 0 HG11 VAL A 562 31.507 3.492 -9.723 1.00 75.11 H new ATOM 0 HG12 VAL A 562 32.144 3.426 -8.062 1.00 75.11 H new ATOM 0 HG13 VAL A 562 32.508 2.114 -9.208 1.00 75.11 H new ATOM 0 HG21 VAL A 562 29.672 1.992 -10.417 1.00 42.44 H new ATOM 0 HG22 VAL A 562 30.596 0.551 -9.929 1.00 42.44 H new ATOM 0 HG23 VAL A 562 28.972 0.835 -9.260 1.00 42.44 H new ATOM 28 N ASN A 563 29.329 -0.752 -7.278 1.00 33.33 N ATOM 29 CA ASN A 563 28.140 -1.515 -6.919 1.00 1.53 C ATOM 30 C ASN A 563 28.467 -2.571 -5.868 1.00 2.35 C ATOM 31 O ASN A 563 28.495 -3.765 -6.163 1.00 21.14 O ATOM 32 CB ASN A 563 27.541 -2.181 -8.159 1.00 75.52 C ATOM 33 CG ASN A 563 26.183 -2.797 -7.886 1.00 31.32 C ATOM 34 OD1 ASN A 563 25.175 -2.094 -7.805 1.00 14.53 O ATOM 35 ND2 ASN A 563 26.149 -4.116 -7.744 1.00 21.24 N ATOM 0 H ASN A 563 29.966 -1.237 -7.910 1.00 33.33 H new ATOM 0 HA ASN A 563 27.410 -0.824 -6.498 1.00 1.53 H new ATOM 0 HB2 ASN A 563 27.448 -1.443 -8.955 1.00 75.52 H new ATOM 0 HB3 ASN A 563 28.222 -2.953 -8.518 1.00 75.52 H new ATOM 0 HD21 ASN A 563 25.263 -4.586 -7.560 1.00 21.24 H new ATOM 0 HD22 ASN A 563 27.009 -4.659 -7.819 1.00 21.24 H new ATOM 41 N GLN A 564 28.713 -2.121 -4.641 1.00 73.30 N ATOM 42 CA GLN A 564 29.038 -3.028 -3.548 1.00 41.34 C ATOM 43 C GLN A 564 27.831 -3.243 -2.641 1.00 34.02 C ATOM 44 O GLN A 564 26.736 -2.755 -2.921 1.00 11.13 O ATOM 45 CB GLN A 564 30.210 -2.479 -2.733 1.00 75.12 C ATOM 46 CG GLN A 564 29.915 -1.146 -2.064 1.00 73.32 C ATOM 47 CD GLN A 564 31.160 -0.482 -1.510 1.00 74.42 C ATOM 48 OE1 GLN A 564 31.288 -0.284 -0.302 1.00 1.22 O ATOM 49 NE2 GLN A 564 32.089 -0.134 -2.393 1.00 22.43 N ATOM 0 H GLN A 564 28.693 -1.135 -4.380 1.00 73.30 H new ATOM 0 HA GLN A 564 29.322 -3.988 -3.979 1.00 41.34 H new ATOM 0 HB2 GLN A 564 30.483 -3.207 -1.969 1.00 75.12 H new ATOM 0 HB3 GLN A 564 31.074 -2.364 -3.387 1.00 75.12 H new ATOM 0 HG2 GLN A 564 29.442 -0.479 -2.785 1.00 73.32 H new ATOM 0 HG3 GLN A 564 29.200 -1.300 -1.256 1.00 73.32 H new ATOM 0 HE21 GLN A 564 31.943 -0.317 -3.386 1.00 22.43 H new ATOM 0 HE22 GLN A 564 32.949 0.316 -2.078 1.00 22.43 H new ATOM 56 N LYS A 565 28.038 -3.977 -1.552 1.00 21.14 N ATOM 57 CA LYS A 565 26.967 -4.256 -0.604 1.00 43.31 C ATOM 58 C LYS A 565 27.376 -3.859 0.811 1.00 15.45 C ATOM 59 O LYS A 565 27.893 -4.678 1.571 1.00 2.33 O ATOM 60 CB LYS A 565 26.599 -5.741 -0.640 1.00 22.40 C ATOM 61 CG LYS A 565 25.596 -6.093 -1.726 1.00 74.20 C ATOM 62 CD LYS A 565 25.206 -7.560 -1.671 1.00 11.30 C ATOM 63 CE LYS A 565 24.364 -7.867 -0.442 1.00 43.23 C ATOM 64 NZ LYS A 565 23.477 -9.043 -0.657 1.00 5.15 N ATOM 0 H LYS A 565 28.938 -4.389 -1.305 1.00 21.14 H new ATOM 0 HA LYS A 565 26.098 -3.665 -0.893 1.00 43.31 H new ATOM 0 HB2 LYS A 565 27.505 -6.328 -0.790 1.00 22.40 H new ATOM 0 HB3 LYS A 565 26.190 -6.029 0.328 1.00 22.40 H new ATOM 0 HG2 LYS A 565 24.705 -5.475 -1.614 1.00 74.20 H new ATOM 0 HG3 LYS A 565 26.022 -5.865 -2.703 1.00 74.20 H new ATOM 0 HD2 LYS A 565 24.649 -7.823 -2.570 1.00 11.30 H new ATOM 0 HD3 LYS A 565 26.105 -8.176 -1.661 1.00 11.30 H new ATOM 0 HE2 LYS A 565 25.019 -8.057 0.409 1.00 43.23 H new ATOM 0 HE3 LYS A 565 23.758 -6.997 -0.190 1.00 43.23 H new ATOM 0 HZ1 LYS A 565 22.920 -9.220 0.203 1.00 5.15 H new ATOM 0 HZ2 LYS A 565 22.835 -8.853 -1.452 1.00 5.15 H new ATOM 0 HZ3 LYS A 565 24.056 -9.880 -0.872 1.00 5.15 H new ATOM 74 N SER A 566 27.141 -2.597 1.159 1.00 34.44 N ATOM 75 CA SER A 566 27.488 -2.091 2.480 1.00 3.53 C ATOM 76 C SER A 566 26.235 -1.695 3.257 1.00 21.11 C ATOM 77 O SER A 566 25.609 -0.674 2.971 1.00 71.31 O ATOM 78 CB SER A 566 28.426 -0.889 2.360 1.00 10.50 C ATOM 79 OG SER A 566 29.212 -0.736 3.529 1.00 12.11 O ATOM 0 H SER A 566 26.711 -1.907 0.543 1.00 34.44 H new ATOM 0 HA SER A 566 27.996 -2.887 3.024 1.00 3.53 H new ATOM 0 HB2 SER A 566 29.077 -1.017 1.495 1.00 10.50 H new ATOM 0 HB3 SER A 566 27.843 0.016 2.189 1.00 10.50 H new ATOM 0 HG SER A 566 29.804 0.038 3.426 1.00 12.11 H new ATOM 84 N LYS A 567 25.873 -2.512 4.240 1.00 31.02 N ATOM 85 CA LYS A 567 24.697 -2.249 5.060 1.00 25.34 C ATOM 86 C LYS A 567 24.986 -2.523 6.532 1.00 60.40 C ATOM 87 O LYS A 567 25.896 -3.284 6.864 1.00 22.25 O ATOM 88 CB LYS A 567 23.521 -3.111 4.592 1.00 42.33 C ATOM 89 CG LYS A 567 23.809 -4.603 4.623 1.00 13.13 C ATOM 90 CD LYS A 567 24.406 -5.083 3.311 1.00 0.34 C ATOM 91 CE LYS A 567 24.430 -6.602 3.233 1.00 34.11 C ATOM 92 NZ LYS A 567 25.579 -7.176 3.986 1.00 65.42 N ATOM 0 H LYS A 567 26.378 -3.363 4.488 1.00 31.02 H new ATOM 0 HA LYS A 567 24.437 -1.196 4.949 1.00 25.34 H new ATOM 0 HB2 LYS A 567 22.656 -2.903 5.222 1.00 42.33 H new ATOM 0 HB3 LYS A 567 23.252 -2.823 3.576 1.00 42.33 H new ATOM 0 HG2 LYS A 567 24.496 -4.825 5.439 1.00 13.13 H new ATOM 0 HG3 LYS A 567 22.887 -5.148 4.825 1.00 13.13 H new ATOM 0 HD2 LYS A 567 23.826 -4.684 2.479 1.00 0.34 H new ATOM 0 HD3 LYS A 567 25.420 -4.696 3.208 1.00 0.34 H new ATOM 0 HE2 LYS A 567 23.498 -7.001 3.632 1.00 34.11 H new ATOM 0 HE3 LYS A 567 24.488 -6.912 2.189 1.00 34.11 H new ATOM 0 HZ1 LYS A 567 25.561 -8.213 3.909 1.00 65.42 H new ATOM 0 HZ2 LYS A 567 26.470 -6.815 3.589 1.00 65.42 H new ATOM 0 HZ3 LYS A 567 25.510 -6.902 4.987 1.00 65.42 H new ATOM 102 N ARG A 568 24.207 -1.900 7.410 1.00 22.42 N ATOM 103 CA ARG A 568 24.381 -2.078 8.847 1.00 11.22 C ATOM 104 C ARG A 568 23.072 -1.823 9.588 1.00 21.34 C ATOM 105 O ARG A 568 22.244 -1.024 9.151 1.00 34.20 O ATOM 106 CB ARG A 568 25.467 -1.136 9.370 1.00 62.25 C ATOM 107 CG ARG A 568 25.053 0.326 9.380 1.00 11.15 C ATOM 108 CD ARG A 568 26.262 1.248 9.334 1.00 3.41 C ATOM 109 NE ARG A 568 25.901 2.637 9.603 1.00 34.32 N ATOM 110 CZ ARG A 568 26.790 3.617 9.731 1.00 61.45 C ATOM 111 NH1 ARG A 568 28.085 3.358 9.616 1.00 13.22 N ATOM 112 NH2 ARG A 568 26.384 4.855 9.974 1.00 31.21 N ATOM 0 H ARG A 568 23.449 -1.268 7.152 1.00 22.42 H new ATOM 0 HA ARG A 568 24.686 -3.109 9.027 1.00 11.22 H new ATOM 0 HB2 ARG A 568 25.738 -1.435 10.383 1.00 62.25 H new ATOM 0 HB3 ARG A 568 26.360 -1.248 8.755 1.00 62.25 H new ATOM 0 HG2 ARG A 568 24.407 0.528 8.526 1.00 11.15 H new ATOM 0 HG3 ARG A 568 24.469 0.534 10.277 1.00 11.15 H new ATOM 0 HD2 ARG A 568 26.999 0.917 10.066 1.00 3.41 H new ATOM 0 HD3 ARG A 568 26.733 1.179 8.354 1.00 3.41 H new ATOM 0 HE ARG A 568 24.912 2.868 9.698 1.00 34.32 H new ATOM 0 HH11 ARG A 568 28.400 2.406 9.429 1.00 13.22 H new ATOM 0 HH12 ARG A 568 28.766 4.111 9.714 1.00 13.22 H new ATOM 0 HH21 ARG A 568 25.388 5.057 10.063 1.00 31.21 H new ATOM 0 HH22 ARG A 568 27.067 5.606 10.072 1.00 31.21 H new ATOM 123 N SER A 569 22.891 -2.510 10.712 1.00 53.20 N ATOM 124 CA SER A 569 21.681 -2.362 11.512 1.00 61.33 C ATOM 125 C SER A 569 21.856 -1.272 12.565 1.00 21.11 C ATOM 126 O SER A 569 22.736 -1.356 13.419 1.00 1.41 O ATOM 127 CB SER A 569 21.326 -3.687 12.189 1.00 60.51 C ATOM 128 OG SER A 569 20.044 -3.627 12.789 1.00 54.33 O ATOM 0 H SER A 569 23.567 -3.174 11.089 1.00 53.20 H new ATOM 0 HA SER A 569 20.868 -2.073 10.846 1.00 61.33 H new ATOM 0 HB2 SER A 569 21.350 -4.492 11.454 1.00 60.51 H new ATOM 0 HB3 SER A 569 22.074 -3.924 12.946 1.00 60.51 H new ATOM 0 HG SER A 569 19.841 -4.487 13.213 1.00 54.33 H new ATOM 133 N GLU A 570 21.009 -0.249 12.494 1.00 70.30 N ATOM 134 CA GLU A 570 21.070 0.859 13.440 1.00 53.12 C ATOM 135 C GLU A 570 19.762 0.985 14.215 1.00 53.44 C ATOM 136 O GLU A 570 18.680 0.772 13.668 1.00 44.21 O ATOM 137 CB GLU A 570 21.370 2.169 12.708 1.00 70.01 C ATOM 138 CG GLU A 570 21.859 3.279 13.622 1.00 74.14 C ATOM 139 CD GLU A 570 23.319 3.121 14.002 1.00 64.35 C ATOM 140 OE1 GLU A 570 23.928 2.103 13.609 1.00 15.11 O ATOM 141 OE2 GLU A 570 23.852 4.015 14.692 1.00 71.54 O ATOM 0 H GLU A 570 20.274 -0.165 11.792 1.00 70.30 H new ATOM 0 HA GLU A 570 21.874 0.655 14.147 1.00 53.12 H new ATOM 0 HB2 GLU A 570 22.123 1.983 11.942 1.00 70.01 H new ATOM 0 HB3 GLU A 570 20.468 2.503 12.195 1.00 70.01 H new ATOM 0 HG2 GLU A 570 21.718 4.240 13.128 1.00 74.14 H new ATOM 0 HG3 GLU A 570 21.251 3.294 14.527 1.00 74.14 H new ATOM 146 N LEU A 571 19.870 1.332 15.494 1.00 21.44 N ATOM 147 CA LEU A 571 18.696 1.487 16.346 1.00 42.12 C ATOM 148 C LEU A 571 18.520 2.940 16.773 1.00 52.41 C ATOM 149 O LEU A 571 18.724 3.285 17.938 1.00 22.35 O ATOM 150 CB LEU A 571 18.817 0.592 17.581 1.00 20.13 C ATOM 151 CG LEU A 571 18.317 -0.844 17.420 1.00 64.43 C ATOM 152 CD1 LEU A 571 18.965 -1.504 16.214 1.00 71.43 C ATOM 153 CD2 LEU A 571 18.591 -1.648 18.683 1.00 63.53 C ATOM 0 H LEU A 571 20.758 1.511 15.963 1.00 21.44 H new ATOM 0 HA LEU A 571 17.819 1.188 15.772 1.00 42.12 H new ATOM 0 HB2 LEU A 571 19.865 0.559 17.880 1.00 20.13 H new ATOM 0 HB3 LEU A 571 18.266 1.058 18.398 1.00 20.13 H new ATOM 0 HG LEU A 571 17.240 -0.817 17.257 1.00 64.43 H new ATOM 0 HD11 LEU A 571 18.596 -2.525 16.116 1.00 71.43 H new ATOM 0 HD12 LEU A 571 18.717 -0.941 15.314 1.00 71.43 H new ATOM 0 HD13 LEU A 571 20.047 -1.520 16.345 1.00 71.43 H new ATOM 0 HD21 LEU A 571 18.229 -2.668 18.551 1.00 63.53 H new ATOM 0 HD22 LEU A 571 19.663 -1.666 18.877 1.00 63.53 H new ATOM 0 HD23 LEU A 571 18.077 -1.187 19.527 1.00 63.53 H new ATOM 164 N SER A 572 18.140 3.789 15.823 1.00 72.44 N ATOM 165 CA SER A 572 17.938 5.207 16.100 1.00 61.33 C ATOM 166 C SER A 572 16.469 5.587 15.947 1.00 65.23 C ATOM 167 O SER A 572 15.690 4.859 15.330 1.00 53.02 O ATOM 168 CB SER A 572 18.797 6.058 15.163 1.00 32.21 C ATOM 169 OG SER A 572 20.082 6.287 15.715 1.00 23.00 O ATOM 0 H SER A 572 17.966 3.520 14.855 1.00 72.44 H new ATOM 0 HA SER A 572 18.238 5.397 17.130 1.00 61.33 H new ATOM 0 HB2 SER A 572 18.896 5.557 14.200 1.00 32.21 H new ATOM 0 HB3 SER A 572 18.303 7.011 14.977 1.00 32.21 H new ATOM 0 HG SER A 572 20.612 6.832 15.096 1.00 23.00 H new ATOM 174 N GLN A 573 16.097 6.729 16.514 1.00 51.52 N ATOM 175 CA GLN A 573 14.721 7.205 16.442 1.00 14.44 C ATOM 176 C GLN A 573 14.633 8.492 15.629 1.00 30.14 C ATOM 177 O GLN A 573 15.028 9.561 16.095 1.00 33.51 O ATOM 178 CB GLN A 573 14.165 7.438 17.848 1.00 54.00 C ATOM 179 CG GLN A 573 14.378 6.263 18.788 1.00 44.50 C ATOM 180 CD GLN A 573 13.496 6.333 20.018 1.00 44.51 C ATOM 181 OE1 GLN A 573 13.980 6.527 21.135 1.00 21.42 O ATOM 182 NE2 GLN A 573 12.191 6.175 19.823 1.00 73.22 N ATOM 0 H GLN A 573 16.729 7.342 17.029 1.00 51.52 H new ATOM 0 HA GLN A 573 14.124 6.440 15.945 1.00 14.44 H new ATOM 0 HB2 GLN A 573 14.636 8.324 18.274 1.00 54.00 H new ATOM 0 HB3 GLN A 573 13.098 7.648 17.778 1.00 54.00 H new ATOM 0 HG2 GLN A 573 14.177 5.334 18.254 1.00 44.50 H new ATOM 0 HG3 GLN A 573 15.423 6.234 19.096 1.00 44.50 H new ATOM 0 HE21 GLN A 573 11.832 6.016 18.882 1.00 73.22 H new ATOM 0 HE22 GLN A 573 11.549 6.212 20.615 1.00 73.22 H new ATOM 189 N ARG A 574 14.112 8.382 14.410 1.00 63.25 N ATOM 190 CA ARG A 574 13.973 9.537 13.531 1.00 62.22 C ATOM 191 C ARG A 574 12.544 9.653 13.010 1.00 14.34 C ATOM 192 O ARG A 574 12.032 8.740 12.363 1.00 45.30 O ATOM 193 CB ARG A 574 14.949 9.431 12.357 1.00 3.45 C ATOM 194 CG ARG A 574 15.406 10.778 11.823 1.00 21.31 C ATOM 195 CD ARG A 574 15.953 10.660 10.408 1.00 3.55 C ATOM 196 NE ARG A 574 17.048 9.699 10.324 1.00 33.22 N ATOM 197 CZ ARG A 574 18.260 9.921 10.820 1.00 61.13 C ATOM 198 NH1 ARG A 574 18.529 11.065 11.434 1.00 74.12 N ATOM 199 NH2 ARG A 574 19.206 8.998 10.703 1.00 64.42 N ATOM 0 H ARG A 574 13.780 7.505 14.009 1.00 63.25 H new ATOM 0 HA ARG A 574 14.205 10.432 14.108 1.00 62.22 H new ATOM 0 HB2 ARG A 574 15.822 8.859 12.671 1.00 3.45 H new ATOM 0 HB3 ARG A 574 14.475 8.872 11.551 1.00 3.45 H new ATOM 0 HG2 ARG A 574 14.570 11.478 11.834 1.00 21.31 H new ATOM 0 HG3 ARG A 574 16.174 11.189 12.478 1.00 21.31 H new ATOM 0 HD2 ARG A 574 15.152 10.357 9.734 1.00 3.55 H new ATOM 0 HD3 ARG A 574 16.301 11.637 10.071 1.00 3.55 H new ATOM 0 HE ARG A 574 16.873 8.808 9.859 1.00 33.22 H new ATOM 0 HH11 ARG A 574 17.804 11.777 11.526 1.00 74.12 H new ATOM 0 HH12 ARG A 574 19.461 11.233 11.814 1.00 74.12 H new ATOM 0 HH21 ARG A 574 19.003 8.117 10.232 1.00 64.42 H new ATOM 0 HH22 ARG A 574 20.136 9.170 11.084 1.00 64.42 H new ATOM 210 N ARG A 575 11.906 10.783 13.296 1.00 1.44 N ATOM 211 CA ARG A 575 10.535 11.020 12.857 1.00 41.45 C ATOM 212 C ARG A 575 10.499 12.006 11.694 1.00 72.53 C ATOM 213 O ARG A 575 9.794 13.014 11.743 1.00 61.04 O ATOM 214 CB ARG A 575 9.690 11.552 14.017 1.00 73.43 C ATOM 215 CG ARG A 575 9.384 10.506 15.077 1.00 31.20 C ATOM 216 CD ARG A 575 10.550 10.327 16.037 1.00 2.11 C ATOM 217 NE ARG A 575 10.112 9.857 17.348 1.00 24.14 N ATOM 218 CZ ARG A 575 9.544 10.642 18.258 1.00 71.13 C ATOM 219 NH1 ARG A 575 9.348 11.927 18.000 1.00 13.52 N ATOM 220 NH2 ARG A 575 9.172 10.141 19.429 1.00 60.45 N ATOM 0 H ARG A 575 12.316 11.549 13.830 1.00 1.44 H new ATOM 0 HA ARG A 575 10.119 10.071 12.519 1.00 41.45 H new ATOM 0 HB2 ARG A 575 10.213 12.387 14.483 1.00 73.43 H new ATOM 0 HB3 ARG A 575 8.752 11.943 13.623 1.00 73.43 H new ATOM 0 HG2 ARG A 575 8.495 10.801 15.634 1.00 31.20 H new ATOM 0 HG3 ARG A 575 9.158 9.554 14.596 1.00 31.20 H new ATOM 0 HD2 ARG A 575 11.261 9.616 15.616 1.00 2.11 H new ATOM 0 HD3 ARG A 575 11.076 11.275 16.149 1.00 2.11 H new ATOM 0 HE ARG A 575 10.249 8.873 17.578 1.00 24.14 H new ATOM 0 HH11 ARG A 575 9.633 12.316 17.101 1.00 13.52 H new ATOM 0 HH12 ARG A 575 8.912 12.527 18.700 1.00 13.52 H new ATOM 0 HH21 ARG A 575 9.322 9.153 19.632 1.00 60.45 H new ATOM 0 HH22 ARG A 575 8.736 10.744 20.127 1.00 60.45 H new ATOM 231 N ILE A 576 11.264 11.707 10.649 1.00 34.45 N ATOM 232 CA ILE A 576 11.318 12.567 9.473 1.00 13.14 C ATOM 233 C ILE A 576 10.984 11.787 8.206 1.00 33.31 C ATOM 234 O ILE A 576 11.705 10.865 7.824 1.00 52.34 O ATOM 235 CB ILE A 576 12.706 13.215 9.313 1.00 70.43 C ATOM 236 CG1 ILE A 576 13.127 13.900 10.615 1.00 20.24 C ATOM 237 CG2 ILE A 576 12.697 14.211 8.163 1.00 13.34 C ATOM 238 CD1 ILE A 576 14.534 14.451 10.580 1.00 55.23 C ATOM 0 H ILE A 576 11.854 10.877 10.593 1.00 34.45 H new ATOM 0 HA ILE A 576 10.575 13.351 9.621 1.00 13.14 H new ATOM 0 HB ILE A 576 13.431 12.433 9.085 1.00 70.43 H new ATOM 0 HG12 ILE A 576 12.433 14.712 10.830 1.00 20.24 H new ATOM 0 HG13 ILE A 576 13.045 13.186 11.435 1.00 20.24 H new ATOM 0 HG21 ILE A 576 13.685 14.660 8.063 1.00 13.34 H new ATOM 0 HG22 ILE A 576 12.437 13.696 7.238 1.00 13.34 H new ATOM 0 HG23 ILE A 576 11.962 14.991 8.363 1.00 13.34 H new ATOM 0 HD11 ILE A 576 14.764 14.922 11.536 1.00 55.23 H new ATOM 0 HD12 ILE A 576 15.238 13.639 10.397 1.00 55.23 H new ATOM 0 HD13 ILE A 576 14.616 15.189 9.782 1.00 55.23 H new ATOM 249 N ARG A 577 9.888 12.165 7.556 1.00 71.24 N ATOM 250 CA ARG A 577 9.459 11.501 6.331 1.00 35.05 C ATOM 251 C ARG A 577 8.699 12.467 5.427 1.00 2.35 C ATOM 252 O ARG A 577 8.411 13.599 5.815 1.00 10.41 O ATOM 253 CB ARG A 577 8.579 10.295 6.661 1.00 21.01 C ATOM 254 CG ARG A 577 7.426 10.619 7.597 1.00 33.43 C ATOM 255 CD ARG A 577 6.759 9.356 8.119 1.00 32.31 C ATOM 256 NE ARG A 577 5.499 9.644 8.799 1.00 1.31 N ATOM 257 CZ ARG A 577 4.381 9.980 8.166 1.00 35.20 C ATOM 258 NH1 ARG A 577 4.366 10.069 6.843 1.00 54.13 N ATOM 259 NH2 ARG A 577 3.275 10.227 8.855 1.00 64.44 N ATOM 0 H ARG A 577 9.281 12.927 7.857 1.00 71.24 H new ATOM 0 HA ARG A 577 10.348 11.159 5.802 1.00 35.05 H new ATOM 0 HB2 ARG A 577 8.179 9.884 5.734 1.00 21.01 H new ATOM 0 HB3 ARG A 577 9.196 9.519 7.114 1.00 21.01 H new ATOM 0 HG2 ARG A 577 7.792 11.211 8.436 1.00 33.43 H new ATOM 0 HG3 ARG A 577 6.691 11.230 7.073 1.00 33.43 H new ATOM 0 HD2 ARG A 577 6.575 8.673 7.289 1.00 32.31 H new ATOM 0 HD3 ARG A 577 7.434 8.847 8.807 1.00 32.31 H new ATOM 0 HE ARG A 577 5.476 9.584 9.817 1.00 1.31 H new ATOM 0 HH11 ARG A 577 5.214 9.879 6.309 1.00 54.13 H new ATOM 0 HH12 ARG A 577 3.506 10.327 6.359 1.00 54.13 H new ATOM 0 HH21 ARG A 577 3.282 10.159 9.873 1.00 64.44 H new ATOM 0 HH22 ARG A 577 2.417 10.485 8.367 1.00 64.44 H new ATOM 270 N ARG A 578 8.378 12.013 4.221 1.00 63.54 N ATOM 271 CA ARG A 578 7.653 12.836 3.261 1.00 32.42 C ATOM 272 C ARG A 578 6.267 12.260 2.987 1.00 63.13 C ATOM 273 O ARG A 578 5.998 11.083 3.232 1.00 22.14 O ATOM 274 CB ARG A 578 8.439 12.945 1.953 1.00 73.23 C ATOM 275 CG ARG A 578 9.438 14.090 1.937 1.00 53.23 C ATOM 276 CD ARG A 578 9.781 14.512 0.517 1.00 2.12 C ATOM 277 NE ARG A 578 8.644 15.132 -0.159 1.00 3.42 N ATOM 278 CZ ARG A 578 8.252 16.383 0.060 1.00 75.20 C ATOM 279 NH1 ARG A 578 8.903 17.143 0.930 1.00 53.02 N ATOM 280 NH2 ARG A 578 7.209 16.877 -0.593 1.00 1.12 N ATOM 0 H ARG A 578 8.609 11.078 3.885 1.00 63.54 H new ATOM 0 HA ARG A 578 7.536 13.831 3.690 1.00 32.42 H new ATOM 0 HB2 ARG A 578 8.969 12.009 1.778 1.00 73.23 H new ATOM 0 HB3 ARG A 578 7.739 13.073 1.128 1.00 73.23 H new ATOM 0 HG2 ARG A 578 9.027 14.940 2.481 1.00 53.23 H new ATOM 0 HG3 ARG A 578 10.347 13.788 2.457 1.00 53.23 H new ATOM 0 HD2 ARG A 578 10.616 15.212 0.539 1.00 2.12 H new ATOM 0 HD3 ARG A 578 10.110 13.641 -0.051 1.00 2.12 H new ATOM 0 HE ARG A 578 8.123 14.575 -0.836 1.00 3.42 H new ATOM 0 HH11 ARG A 578 9.707 16.768 1.433 1.00 53.02 H new ATOM 0 HH12 ARG A 578 8.600 18.103 1.096 1.00 53.02 H new ATOM 0 HH21 ARG A 578 6.706 16.297 -1.265 1.00 1.12 H new ATOM 0 HH22 ARG A 578 6.909 17.837 -0.424 1.00 1.12 H new ATOM 291 N PRO A 579 5.366 13.106 2.468 1.00 32.05 N ATOM 292 CA PRO A 579 3.993 12.704 2.149 1.00 64.35 C ATOM 293 C PRO A 579 3.929 11.752 0.959 1.00 42.10 C ATOM 294 O PRO A 579 4.574 11.977 -0.064 1.00 32.31 O ATOM 295 CB PRO A 579 3.303 14.028 1.811 1.00 11.30 C ATOM 296 CG PRO A 579 4.405 14.923 1.357 1.00 44.03 C ATOM 297 CD PRO A 579 5.617 14.522 2.150 1.00 51.14 C ATOM 0 HA PRO A 579 3.526 12.163 2.972 1.00 64.35 H new ATOM 0 HB2 PRO A 579 2.553 13.896 1.031 1.00 11.30 H new ATOM 0 HB3 PRO A 579 2.790 14.441 2.680 1.00 11.30 H new ATOM 0 HG2 PRO A 579 4.584 14.811 0.288 1.00 44.03 H new ATOM 0 HG3 PRO A 579 4.154 15.970 1.530 1.00 44.03 H new ATOM 0 HD2 PRO A 579 6.534 14.648 1.574 1.00 51.14 H new ATOM 0 HD3 PRO A 579 5.723 15.124 3.053 1.00 51.14 H new ATOM 302 N PHE A 580 3.147 10.686 1.101 1.00 23.10 N ATOM 303 CA PHE A 580 3.000 9.699 0.038 1.00 33.23 C ATOM 304 C PHE A 580 1.805 10.032 -0.851 1.00 75.34 C ATOM 305 O PHE A 580 0.735 10.396 -0.362 1.00 70.44 O ATOM 306 CB PHE A 580 2.834 8.299 0.633 1.00 2.25 C ATOM 307 CG PHE A 580 1.887 8.251 1.798 1.00 21.05 C ATOM 308 CD1 PHE A 580 0.517 8.300 1.597 1.00 13.24 C ATOM 309 CD2 PHE A 580 2.367 8.157 3.094 1.00 40.53 C ATOM 310 CE1 PHE A 580 -0.357 8.256 2.667 1.00 32.02 C ATOM 311 CE2 PHE A 580 1.499 8.112 4.168 1.00 65.20 C ATOM 312 CZ PHE A 580 0.135 8.163 3.954 1.00 61.34 C ATOM 0 H PHE A 580 2.606 10.484 1.942 1.00 23.10 H new ATOM 0 HA PHE A 580 3.902 9.722 -0.573 1.00 33.23 H new ATOM 0 HB2 PHE A 580 2.476 7.623 -0.144 1.00 2.25 H new ATOM 0 HB3 PHE A 580 3.809 7.931 0.952 1.00 2.25 H new ATOM 0 HD1 PHE A 580 0.127 8.373 0.592 1.00 13.24 H new ATOM 0 HD2 PHE A 580 3.432 8.118 3.267 1.00 40.53 H new ATOM 0 HE1 PHE A 580 -1.423 8.294 2.497 1.00 32.02 H new ATOM 0 HE2 PHE A 580 1.886 8.037 5.173 1.00 65.20 H new ATOM 0 HZ PHE A 580 -0.545 8.130 4.792 1.00 61.34 H new ATOM 321 N SER A 581 1.996 9.904 -2.161 1.00 53.44 N ATOM 322 CA SER A 581 0.936 10.195 -3.119 1.00 15.41 C ATOM 323 C SER A 581 0.304 8.907 -3.637 1.00 35.32 C ATOM 324 O SER A 581 0.686 7.808 -3.233 1.00 10.02 O ATOM 325 CB SER A 581 1.489 11.013 -4.288 1.00 25.43 C ATOM 326 OG SER A 581 2.060 12.228 -3.837 1.00 52.53 O ATOM 0 H SER A 581 2.874 9.601 -2.582 1.00 53.44 H new ATOM 0 HA SER A 581 0.167 10.776 -2.610 1.00 15.41 H new ATOM 0 HB2 SER A 581 2.241 10.430 -4.820 1.00 25.43 H new ATOM 0 HB3 SER A 581 0.689 11.225 -4.998 1.00 25.43 H new ATOM 0 HG SER A 581 2.407 12.731 -4.603 1.00 52.53 H new ATOM 331 N VAL A 582 -0.665 9.051 -4.536 1.00 51.03 N ATOM 332 CA VAL A 582 -1.350 7.900 -5.113 1.00 53.21 C ATOM 333 C VAL A 582 -0.374 6.996 -5.858 1.00 45.43 C ATOM 334 O VAL A 582 -0.440 5.772 -5.748 1.00 32.33 O ATOM 335 CB VAL A 582 -2.467 8.338 -6.078 1.00 25.51 C ATOM 336 CG1 VAL A 582 -3.135 7.125 -6.707 1.00 70.22 C ATOM 337 CG2 VAL A 582 -3.488 9.203 -5.355 1.00 14.51 C ATOM 0 H VAL A 582 -0.993 9.953 -4.880 1.00 51.03 H new ATOM 0 HA VAL A 582 -1.792 7.347 -4.285 1.00 53.21 H new ATOM 0 HB VAL A 582 -2.021 8.932 -6.875 1.00 25.51 H new ATOM 0 HG11 VAL A 582 -3.922 7.454 -7.386 1.00 70.22 H new ATOM 0 HG12 VAL A 582 -2.395 6.549 -7.262 1.00 70.22 H new ATOM 0 HG13 VAL A 582 -3.568 6.502 -5.925 1.00 70.22 H new ATOM 0 HG21 VAL A 582 -4.270 9.503 -6.053 1.00 14.51 H new ATOM 0 HG22 VAL A 582 -3.931 8.636 -4.536 1.00 14.51 H new ATOM 0 HG23 VAL A 582 -2.996 10.091 -4.957 1.00 14.51 H new ATOM 347 N ALA A 583 0.531 7.608 -6.614 1.00 71.11 N ATOM 348 CA ALA A 583 1.522 6.858 -7.375 1.00 30.55 C ATOM 349 C ALA A 583 2.546 6.208 -6.453 1.00 52.24 C ATOM 350 O ALA A 583 3.075 5.137 -6.752 1.00 33.24 O ATOM 351 CB ALA A 583 2.215 7.768 -8.379 1.00 61.14 C ATOM 0 H ALA A 583 0.598 8.621 -6.716 1.00 71.11 H new ATOM 0 HA ALA A 583 1.005 6.065 -7.916 1.00 30.55 H new ATOM 0 HB1 ALA A 583 2.953 7.195 -8.941 1.00 61.14 H new ATOM 0 HB2 ALA A 583 1.476 8.181 -9.066 1.00 61.14 H new ATOM 0 HB3 ALA A 583 2.713 8.581 -7.850 1.00 61.14 H new ATOM 357 N GLU A 584 2.823 6.862 -5.328 1.00 73.42 N ATOM 358 CA GLU A 584 3.786 6.346 -4.363 1.00 72.11 C ATOM 359 C GLU A 584 3.194 5.185 -3.570 1.00 5.32 C ATOM 360 O GLU A 584 3.761 4.093 -3.528 1.00 35.34 O ATOM 361 CB GLU A 584 4.229 7.457 -3.408 1.00 15.22 C ATOM 362 CG GLU A 584 4.820 8.667 -4.114 1.00 65.24 C ATOM 363 CD GLU A 584 6.331 8.730 -3.998 1.00 22.43 C ATOM 364 OE1 GLU A 584 6.829 9.071 -2.906 1.00 2.34 O ATOM 365 OE2 GLU A 584 7.013 8.436 -5.001 1.00 31.30 O ATOM 0 H GLU A 584 2.394 7.749 -5.064 1.00 73.42 H new ATOM 0 HA GLU A 584 4.653 5.982 -4.913 1.00 72.11 H new ATOM 0 HB2 GLU A 584 3.373 7.776 -2.813 1.00 15.22 H new ATOM 0 HB3 GLU A 584 4.967 7.055 -2.714 1.00 15.22 H new ATOM 0 HG2 GLU A 584 4.541 8.640 -5.167 1.00 65.24 H new ATOM 0 HG3 GLU A 584 4.389 9.575 -3.693 1.00 65.24 H new ATOM 370 N VAL A 585 2.049 5.429 -2.941 1.00 13.44 N ATOM 371 CA VAL A 585 1.378 4.406 -2.149 1.00 72.43 C ATOM 372 C VAL A 585 1.133 3.146 -2.972 1.00 74.43 C ATOM 373 O VAL A 585 1.184 2.033 -2.451 1.00 64.23 O ATOM 374 CB VAL A 585 0.032 4.914 -1.598 1.00 13.23 C ATOM 375 CG1 VAL A 585 -0.668 3.821 -0.805 1.00 32.22 C ATOM 376 CG2 VAL A 585 0.242 6.153 -0.741 1.00 11.32 C ATOM 0 H VAL A 585 1.566 6.327 -2.965 1.00 13.44 H new ATOM 0 HA VAL A 585 2.038 4.170 -1.314 1.00 72.43 H new ATOM 0 HB VAL A 585 -0.606 5.184 -2.439 1.00 13.23 H new ATOM 0 HG11 VAL A 585 -1.617 4.199 -0.424 1.00 32.22 H new ATOM 0 HG12 VAL A 585 -0.852 2.963 -1.452 1.00 32.22 H new ATOM 0 HG13 VAL A 585 -0.037 3.516 0.030 1.00 32.22 H new ATOM 0 HG21 VAL A 585 -0.719 6.499 -0.360 1.00 11.32 H new ATOM 0 HG22 VAL A 585 0.898 5.910 0.095 1.00 11.32 H new ATOM 0 HG23 VAL A 585 0.698 6.939 -1.343 1.00 11.32 H new ATOM 386 N GLU A 586 0.870 3.331 -4.262 1.00 15.32 N ATOM 387 CA GLU A 586 0.618 2.209 -5.159 1.00 52.54 C ATOM 388 C GLU A 586 1.724 1.164 -5.046 1.00 41.44 C ATOM 389 O GLU A 586 1.485 -0.030 -5.227 1.00 73.40 O ATOM 390 CB GLU A 586 0.507 2.696 -6.604 1.00 33.22 C ATOM 391 CG GLU A 586 1.808 2.596 -7.382 1.00 73.35 C ATOM 392 CD GLU A 586 1.806 3.446 -8.637 1.00 2.12 C ATOM 393 OE1 GLU A 586 0.709 3.836 -9.088 1.00 23.41 O ATOM 394 OE2 GLU A 586 2.902 3.723 -9.168 1.00 72.30 O ATOM 0 H GLU A 586 0.826 4.247 -4.709 1.00 15.32 H new ATOM 0 HA GLU A 586 -0.325 1.748 -4.866 1.00 52.54 H new ATOM 0 HB2 GLU A 586 -0.259 2.114 -7.117 1.00 33.22 H new ATOM 0 HB3 GLU A 586 0.172 3.733 -6.604 1.00 33.22 H new ATOM 0 HG2 GLU A 586 2.634 2.904 -6.741 1.00 73.35 H new ATOM 0 HG3 GLU A 586 1.985 1.555 -7.653 1.00 73.35 H new ATOM 399 N ALA A 587 2.935 1.622 -4.746 1.00 41.51 N ATOM 400 CA ALA A 587 4.077 0.728 -4.608 1.00 41.44 C ATOM 401 C ALA A 587 3.955 -0.129 -3.352 1.00 70.24 C ATOM 402 O ALA A 587 4.325 -1.305 -3.351 1.00 34.43 O ATOM 403 CB ALA A 587 5.373 1.527 -4.579 1.00 23.52 C ATOM 0 H ALA A 587 3.150 2.607 -4.594 1.00 41.51 H new ATOM 0 HA ALA A 587 4.092 0.062 -5.471 1.00 41.44 H new ATOM 0 HB1 ALA A 587 6.218 0.846 -4.476 1.00 23.52 H new ATOM 0 HB2 ALA A 587 5.473 2.091 -5.506 1.00 23.52 H new ATOM 0 HB3 ALA A 587 5.357 2.216 -3.735 1.00 23.52 H new ATOM 409 N LEU A 588 3.435 0.465 -2.284 1.00 12.21 N ATOM 410 CA LEU A 588 3.264 -0.244 -1.020 1.00 75.23 C ATOM 411 C LEU A 588 2.330 -1.438 -1.188 1.00 11.34 C ATOM 412 O LEU A 588 2.684 -2.569 -0.857 1.00 71.12 O ATOM 413 CB LEU A 588 2.715 0.702 0.048 1.00 14.33 C ATOM 414 CG LEU A 588 3.053 0.347 1.497 1.00 14.21 C ATOM 415 CD1 LEU A 588 2.619 -1.075 1.813 1.00 12.20 C ATOM 416 CD2 LEU A 588 4.543 0.521 1.755 1.00 14.44 C ATOM 0 H LEU A 588 3.124 1.436 -2.268 1.00 12.21 H new ATOM 0 HA LEU A 588 4.240 -0.612 -0.703 1.00 75.23 H new ATOM 0 HB2 LEU A 588 3.090 1.705 -0.156 1.00 14.33 H new ATOM 0 HB3 LEU A 588 1.630 0.740 -0.052 1.00 14.33 H new ATOM 0 HG LEU A 588 2.509 1.026 2.154 1.00 14.21 H new ATOM 0 HD11 LEU A 588 2.868 -1.310 2.848 1.00 12.20 H new ATOM 0 HD12 LEU A 588 1.543 -1.168 1.668 1.00 12.20 H new ATOM 0 HD13 LEU A 588 3.135 -1.769 1.150 1.00 12.20 H new ATOM 0 HD21 LEU A 588 4.765 0.264 2.791 1.00 14.44 H new ATOM 0 HD22 LEU A 588 5.106 -0.133 1.090 1.00 14.44 H new ATOM 0 HD23 LEU A 588 4.826 1.557 1.569 1.00 14.44 H new ATOM 427 N VAL A 589 1.133 -1.177 -1.706 1.00 73.41 N ATOM 428 CA VAL A 589 0.149 -2.230 -1.922 1.00 22.23 C ATOM 429 C VAL A 589 0.616 -3.210 -2.992 1.00 60.34 C ATOM 430 O VAL A 589 0.487 -4.424 -2.835 1.00 40.52 O ATOM 431 CB VAL A 589 -1.216 -1.647 -2.337 1.00 53.33 C ATOM 432 CG1 VAL A 589 -1.071 -0.784 -3.581 1.00 72.31 C ATOM 433 CG2 VAL A 589 -2.225 -2.762 -2.565 1.00 63.11 C ATOM 0 H VAL A 589 0.822 -0.246 -1.983 1.00 73.41 H new ATOM 0 HA VAL A 589 0.039 -2.757 -0.974 1.00 22.23 H new ATOM 0 HB VAL A 589 -1.584 -1.017 -1.528 1.00 53.33 H new ATOM 0 HG11 VAL A 589 -2.045 -0.381 -3.860 1.00 72.31 H new ATOM 0 HG12 VAL A 589 -0.383 0.037 -3.376 1.00 72.31 H new ATOM 0 HG13 VAL A 589 -0.681 -1.389 -4.400 1.00 72.31 H new ATOM 0 HG21 VAL A 589 -3.183 -2.332 -2.857 1.00 63.11 H new ATOM 0 HG22 VAL A 589 -1.867 -3.421 -3.356 1.00 63.11 H new ATOM 0 HG23 VAL A 589 -2.350 -3.334 -1.645 1.00 63.11 H new ATOM 443 N GLU A 590 1.159 -2.675 -4.080 1.00 60.11 N ATOM 444 CA GLU A 590 1.646 -3.503 -5.177 1.00 22.22 C ATOM 445 C GLU A 590 2.609 -4.571 -4.666 1.00 73.40 C ATOM 446 O GLU A 590 2.491 -5.746 -5.014 1.00 55.33 O ATOM 447 CB GLU A 590 2.339 -2.637 -6.231 1.00 70.21 C ATOM 448 CG GLU A 590 1.390 -2.072 -7.275 1.00 63.41 C ATOM 449 CD GLU A 590 2.078 -1.123 -8.236 1.00 31.43 C ATOM 450 OE1 GLU A 590 3.307 -0.935 -8.109 1.00 25.22 O ATOM 451 OE2 GLU A 590 1.388 -0.567 -9.116 1.00 21.23 O ATOM 0 H GLU A 590 1.273 -1.672 -4.226 1.00 60.11 H new ATOM 0 HA GLU A 590 0.789 -3.999 -5.632 1.00 22.22 H new ATOM 0 HB2 GLU A 590 2.850 -1.813 -5.733 1.00 70.21 H new ATOM 0 HB3 GLU A 590 3.104 -3.231 -6.731 1.00 70.21 H new ATOM 0 HG2 GLU A 590 0.944 -2.893 -7.837 1.00 63.41 H new ATOM 0 HG3 GLU A 590 0.575 -1.549 -6.775 1.00 63.41 H new ATOM 456 N ALA A 591 3.562 -4.153 -3.840 1.00 73.21 N ATOM 457 CA ALA A 591 4.545 -5.072 -3.280 1.00 21.41 C ATOM 458 C ALA A 591 3.889 -6.060 -2.321 1.00 71.52 C ATOM 459 O ALA A 591 4.296 -7.218 -2.234 1.00 61.40 O ATOM 460 CB ALA A 591 5.647 -4.298 -2.572 1.00 40.25 C ATOM 0 H ALA A 591 3.674 -3.183 -3.544 1.00 73.21 H new ATOM 0 HA ALA A 591 4.984 -5.640 -4.100 1.00 21.41 H new ATOM 0 HB1 ALA A 591 6.374 -4.997 -2.158 1.00 40.25 H new ATOM 0 HB2 ALA A 591 6.142 -3.637 -3.283 1.00 40.25 H new ATOM 0 HB3 ALA A 591 5.215 -3.705 -1.766 1.00 40.25 H new ATOM 466 N VAL A 592 2.872 -5.594 -1.603 1.00 65.54 N ATOM 467 CA VAL A 592 2.160 -6.438 -0.651 1.00 11.50 C ATOM 468 C VAL A 592 1.253 -7.432 -1.368 1.00 11.52 C ATOM 469 O VAL A 592 0.950 -8.501 -0.842 1.00 70.31 O ATOM 470 CB VAL A 592 1.312 -5.595 0.320 1.00 11.41 C ATOM 471 CG1 VAL A 592 0.282 -6.465 1.024 1.00 23.44 C ATOM 472 CG2 VAL A 592 2.205 -4.889 1.330 1.00 44.03 C ATOM 0 H VAL A 592 2.523 -4.637 -1.662 1.00 65.54 H new ATOM 0 HA VAL A 592 2.915 -6.983 -0.085 1.00 11.50 H new ATOM 0 HB VAL A 592 0.780 -4.837 -0.254 1.00 11.41 H new ATOM 0 HG11 VAL A 592 -0.307 -5.852 1.706 1.00 23.44 H new ATOM 0 HG12 VAL A 592 -0.376 -6.920 0.284 1.00 23.44 H new ATOM 0 HG13 VAL A 592 0.791 -7.247 1.587 1.00 23.44 H new ATOM 0 HG21 VAL A 592 1.590 -4.298 2.009 1.00 44.03 H new ATOM 0 HG22 VAL A 592 2.766 -5.630 1.900 1.00 44.03 H new ATOM 0 HG23 VAL A 592 2.900 -4.233 0.805 1.00 44.03 H new ATOM 482 N GLU A 593 0.823 -7.069 -2.573 1.00 4.31 N ATOM 483 CA GLU A 593 -0.050 -7.929 -3.362 1.00 24.41 C ATOM 484 C GLU A 593 0.723 -9.116 -3.930 1.00 32.33 C ATOM 485 O GLU A 593 0.225 -10.242 -3.956 1.00 13.25 O ATOM 486 CB GLU A 593 -0.694 -7.134 -4.500 1.00 64.10 C ATOM 487 CG GLU A 593 -2.205 -7.021 -4.384 1.00 10.04 C ATOM 488 CD GLU A 593 -2.930 -8.178 -5.044 1.00 74.05 C ATOM 489 OE1 GLU A 593 -2.394 -9.306 -5.019 1.00 73.25 O ATOM 490 OE2 GLU A 593 -4.033 -7.956 -5.585 1.00 72.41 O ATOM 0 H GLU A 593 1.065 -6.186 -3.023 1.00 4.31 H new ATOM 0 HA GLU A 593 -0.833 -8.308 -2.705 1.00 24.41 H new ATOM 0 HB2 GLU A 593 -0.264 -6.133 -4.521 1.00 64.10 H new ATOM 0 HB3 GLU A 593 -0.445 -7.608 -5.449 1.00 64.10 H new ATOM 0 HG2 GLU A 593 -2.482 -6.977 -3.331 1.00 10.04 H new ATOM 0 HG3 GLU A 593 -2.531 -6.086 -4.839 1.00 10.04 H new ATOM 495 N HIS A 594 1.945 -8.854 -4.385 1.00 42.31 N ATOM 496 CA HIS A 594 2.789 -9.900 -4.953 1.00 33.02 C ATOM 497 C HIS A 594 3.569 -10.623 -3.859 1.00 11.23 C ATOM 498 O HIS A 594 3.619 -11.853 -3.827 1.00 34.33 O ATOM 499 CB HIS A 594 3.755 -9.303 -5.977 1.00 61.24 C ATOM 500 CG HIS A 594 4.093 -10.238 -7.097 1.00 73.24 C ATOM 501 ND1 HIS A 594 3.338 -10.341 -8.246 1.00 0.44 N ATOM 502 CD2 HIS A 594 5.114 -11.116 -7.240 1.00 32.23 C ATOM 503 CE1 HIS A 594 3.877 -11.242 -9.046 1.00 74.54 C ATOM 504 NE2 HIS A 594 4.957 -11.727 -8.460 1.00 0.12 N ATOM 0 H HIS A 594 2.372 -7.928 -4.371 1.00 42.31 H new ATOM 0 HA HIS A 594 2.144 -10.624 -5.452 1.00 33.02 H new ATOM 0 HB2 HIS A 594 3.316 -8.395 -6.392 1.00 61.24 H new ATOM 0 HB3 HIS A 594 4.674 -9.010 -5.470 1.00 61.24 H new ATOM 0 HD2 HIS A 594 5.904 -11.301 -6.528 1.00 32.23 H new ATOM 0 HE1 HIS A 594 3.499 -11.533 -10.015 1.00 74.54 H new ATOM 0 HE2 HIS A 594 5.574 -12.439 -8.850 1.00 0.12 H new ATOM 511 N LEU A 595 4.177 -9.851 -2.965 1.00 33.12 N ATOM 512 CA LEU A 595 4.957 -10.418 -1.870 1.00 10.45 C ATOM 513 C LEU A 595 4.045 -10.900 -0.746 1.00 31.01 C ATOM 514 O LEU A 595 4.418 -11.770 0.039 1.00 62.42 O ATOM 515 CB LEU A 595 5.944 -9.381 -1.332 1.00 42.24 C ATOM 516 CG LEU A 595 6.808 -8.672 -2.375 1.00 15.50 C ATOM 517 CD1 LEU A 595 7.458 -7.434 -1.778 1.00 52.42 C ATOM 518 CD2 LEU A 595 7.866 -9.618 -2.924 1.00 32.31 C ATOM 0 H LEU A 595 4.145 -8.832 -2.977 1.00 33.12 H new ATOM 0 HA LEU A 595 5.512 -11.273 -2.255 1.00 10.45 H new ATOM 0 HB2 LEU A 595 5.383 -8.626 -0.781 1.00 42.24 H new ATOM 0 HB3 LEU A 595 6.603 -9.873 -0.617 1.00 42.24 H new ATOM 0 HG LEU A 595 6.165 -8.359 -3.198 1.00 15.50 H new ATOM 0 HD11 LEU A 595 8.069 -6.943 -2.535 1.00 52.42 H new ATOM 0 HD12 LEU A 595 6.685 -6.747 -1.434 1.00 52.42 H new ATOM 0 HD13 LEU A 595 8.087 -7.723 -0.936 1.00 52.42 H new ATOM 0 HD21 LEU A 595 8.471 -9.096 -3.665 1.00 32.31 H new ATOM 0 HD22 LEU A 595 8.505 -9.961 -2.110 1.00 32.31 H new ATOM 0 HD23 LEU A 595 7.381 -10.475 -3.391 1.00 32.31 H new ATOM 529 N GLY A 596 2.846 -10.328 -0.676 1.00 34.42 N ATOM 530 CA GLY A 596 1.899 -10.714 0.353 1.00 42.01 C ATOM 531 C GLY A 596 2.075 -9.917 1.630 1.00 4.33 C ATOM 532 O GLY A 596 2.515 -8.767 1.599 1.00 32.33 O ATOM 0 H GLY A 596 2.514 -9.604 -1.314 1.00 34.42 H new ATOM 0 HA2 GLY A 596 0.884 -10.576 -0.021 1.00 42.01 H new ATOM 0 HA3 GLY A 596 2.017 -11.775 0.571 1.00 42.01 H new ATOM 536 N THR A 597 1.727 -10.527 2.759 1.00 13.32 N ATOM 537 CA THR A 597 1.845 -9.865 4.053 1.00 34.33 C ATOM 538 C THR A 597 2.840 -10.590 4.952 1.00 53.22 C ATOM 539 O THR A 597 2.715 -10.568 6.176 1.00 11.33 O ATOM 540 CB THR A 597 0.483 -9.787 4.771 1.00 72.53 C ATOM 541 OG1 THR A 597 -0.215 -11.029 4.631 1.00 41.21 O ATOM 542 CG2 THR A 597 -0.363 -8.657 4.204 1.00 64.14 C ATOM 0 H THR A 597 1.361 -11.478 2.804 1.00 13.32 H new ATOM 0 HA THR A 597 2.204 -8.854 3.860 1.00 34.33 H new ATOM 0 HB THR A 597 0.664 -9.589 5.828 1.00 72.53 H new ATOM 0 HG1 THR A 597 -1.078 -10.973 5.091 1.00 41.21 H new ATOM 0 HG21 THR A 597 -1.319 -8.621 4.726 1.00 64.14 H new ATOM 0 HG22 THR A 597 0.159 -7.709 4.338 1.00 64.14 H new ATOM 0 HG23 THR A 597 -0.536 -8.830 3.142 1.00 64.14 H new ATOM 550 N GLY A 598 3.829 -11.230 4.336 1.00 44.43 N ATOM 551 CA GLY A 598 4.832 -11.952 5.097 1.00 44.34 C ATOM 552 C GLY A 598 6.245 -11.552 4.721 1.00 20.51 C ATOM 553 O GLY A 598 7.212 -12.019 5.324 1.00 24.25 O ATOM 0 H GLY A 598 3.954 -11.261 3.324 1.00 44.43 H new ATOM 0 HA2 GLY A 598 4.677 -11.770 6.160 1.00 44.34 H new ATOM 0 HA3 GLY A 598 4.706 -13.022 4.935 1.00 44.34 H new ATOM 557 N ARG A 599 6.365 -10.686 3.720 1.00 52.24 N ATOM 558 CA ARG A 599 7.671 -10.226 3.263 1.00 31.52 C ATOM 559 C ARG A 599 7.756 -8.703 3.304 1.00 35.34 C ATOM 560 O ARG A 599 7.606 -8.035 2.280 1.00 63.11 O ATOM 561 CB ARG A 599 7.941 -10.723 1.841 1.00 60.42 C ATOM 562 CG ARG A 599 8.401 -12.171 1.780 1.00 54.13 C ATOM 563 CD ARG A 599 9.148 -12.464 0.487 1.00 42.32 C ATOM 564 NE ARG A 599 9.032 -13.866 0.095 1.00 64.42 N ATOM 565 CZ ARG A 599 9.780 -14.430 -0.846 1.00 33.11 C ATOM 566 NH1 ARG A 599 10.694 -13.715 -1.488 1.00 2.13 N ATOM 567 NH2 ARG A 599 9.616 -15.712 -1.148 1.00 4.42 N ATOM 0 H ARG A 599 5.575 -10.289 3.211 1.00 52.24 H new ATOM 0 HA ARG A 599 8.427 -10.634 3.934 1.00 31.52 H new ATOM 0 HB2 ARG A 599 7.033 -10.614 1.248 1.00 60.42 H new ATOM 0 HB3 ARG A 599 8.700 -10.090 1.382 1.00 60.42 H new ATOM 0 HG2 ARG A 599 9.047 -12.385 2.631 1.00 54.13 H new ATOM 0 HG3 ARG A 599 7.538 -12.832 1.861 1.00 54.13 H new ATOM 0 HD2 ARG A 599 8.757 -11.831 -0.309 1.00 42.32 H new ATOM 0 HD3 ARG A 599 10.200 -12.208 0.610 1.00 42.32 H new ATOM 0 HE ARG A 599 8.338 -14.444 0.570 1.00 64.42 H new ATOM 0 HH11 ARG A 599 10.824 -12.729 -1.259 1.00 2.13 H new ATOM 0 HH12 ARG A 599 11.267 -14.151 -2.210 1.00 2.13 H new ATOM 0 HH21 ARG A 599 8.914 -16.266 -0.657 1.00 4.42 H new ATOM 0 HH22 ARG A 599 10.192 -16.143 -1.871 1.00 4.42 H new ATOM 578 N TRP A 600 7.995 -8.161 4.492 1.00 72.11 N ATOM 579 CA TRP A 600 8.099 -6.716 4.666 1.00 45.34 C ATOM 580 C TRP A 600 9.342 -6.172 3.971 1.00 43.54 C ATOM 581 O TRP A 600 9.271 -5.191 3.232 1.00 55.25 O ATOM 582 CB TRP A 600 8.135 -6.364 6.154 1.00 72.03 C ATOM 583 CG TRP A 600 7.033 -7.003 6.943 1.00 1.44 C ATOM 584 CD1 TRP A 600 5.781 -7.316 6.497 1.00 0.20 C ATOM 585 CD2 TRP A 600 7.084 -7.404 8.317 1.00 13.03 C ATOM 586 NE1 TRP A 600 5.050 -7.887 7.511 1.00 30.40 N ATOM 587 CE2 TRP A 600 5.827 -7.953 8.637 1.00 2.00 C ATOM 588 CE3 TRP A 600 8.068 -7.353 9.307 1.00 61.23 C ATOM 589 CZ2 TRP A 600 5.532 -8.447 9.905 1.00 23.22 C ATOM 590 CZ3 TRP A 600 7.774 -7.844 10.565 1.00 41.23 C ATOM 591 CH2 TRP A 600 6.515 -8.386 10.856 1.00 31.53 C ATOM 0 H TRP A 600 8.121 -8.699 5.349 1.00 72.11 H new ATOM 0 HA TRP A 600 7.222 -6.255 4.212 1.00 45.34 H new ATOM 0 HB2 TRP A 600 9.095 -6.671 6.569 1.00 72.03 H new ATOM 0 HB3 TRP A 600 8.071 -5.282 6.265 1.00 72.03 H new ATOM 0 HD1 TRP A 600 5.419 -7.141 5.495 1.00 0.20 H new ATOM 0 HE1 TRP A 600 4.085 -8.209 7.437 1.00 30.40 H new ATOM 0 HE3 TRP A 600 9.042 -6.937 9.093 1.00 61.23 H new ATOM 0 HZ2 TRP A 600 4.562 -8.864 10.130 1.00 23.22 H new ATOM 0 HZ3 TRP A 600 8.528 -7.809 11.337 1.00 41.23 H new ATOM 0 HH2 TRP A 600 6.316 -8.762 11.849 1.00 31.53 H new ATOM 601 N ARG A 601 10.480 -6.816 4.213 1.00 1.42 N ATOM 602 CA ARG A 601 11.739 -6.395 3.611 1.00 12.41 C ATOM 603 C ARG A 601 11.604 -6.276 2.096 1.00 1.35 C ATOM 604 O ARG A 601 12.013 -5.278 1.503 1.00 74.54 O ATOM 605 CB ARG A 601 12.852 -7.385 3.959 1.00 64.41 C ATOM 606 CG ARG A 601 13.087 -7.537 5.452 1.00 54.42 C ATOM 607 CD ARG A 601 13.611 -6.248 6.067 1.00 20.11 C ATOM 608 NE ARG A 601 14.195 -6.469 7.387 1.00 64.10 N ATOM 609 CZ ARG A 601 14.376 -5.504 8.282 1.00 40.11 C ATOM 610 NH1 ARG A 601 14.021 -4.259 7.999 1.00 13.44 N ATOM 611 NH2 ARG A 601 14.914 -5.784 9.462 1.00 64.23 N ATOM 0 H ARG A 601 10.555 -7.631 4.822 1.00 1.42 H new ATOM 0 HA ARG A 601 11.996 -5.415 4.014 1.00 12.41 H new ATOM 0 HB2 ARG A 601 12.605 -8.359 3.538 1.00 64.41 H new ATOM 0 HB3 ARG A 601 13.778 -7.059 3.485 1.00 64.41 H new ATOM 0 HG2 ARG A 601 12.156 -7.822 5.941 1.00 54.42 H new ATOM 0 HG3 ARG A 601 13.800 -8.342 5.629 1.00 54.42 H new ATOM 0 HD2 ARG A 601 14.361 -5.810 5.408 1.00 20.11 H new ATOM 0 HD3 ARG A 601 12.797 -5.527 6.147 1.00 20.11 H new ATOM 0 HE ARG A 601 14.480 -7.416 7.636 1.00 64.10 H new ATOM 0 HH11 ARG A 601 13.608 -4.040 7.092 1.00 13.44 H new ATOM 0 HH12 ARG A 601 14.161 -3.520 8.688 1.00 13.44 H new ATOM 0 HH21 ARG A 601 15.189 -6.741 9.683 1.00 64.23 H new ATOM 0 HH22 ARG A 601 15.052 -5.042 10.148 1.00 64.23 H new ATOM 622 N ASP A 602 11.028 -7.300 1.476 1.00 43.13 N ATOM 623 CA ASP A 602 10.838 -7.311 0.030 1.00 4.31 C ATOM 624 C ASP A 602 9.919 -6.174 -0.405 1.00 65.23 C ATOM 625 O ASP A 602 10.112 -5.578 -1.465 1.00 2.05 O ATOM 626 CB ASP A 602 10.258 -8.653 -0.419 1.00 62.02 C ATOM 627 CG ASP A 602 11.133 -9.825 -0.021 1.00 42.53 C ATOM 628 OD1 ASP A 602 11.216 -10.119 1.192 1.00 72.41 O ATOM 629 OD2 ASP A 602 11.735 -10.448 -0.919 1.00 65.50 O ATOM 0 H ASP A 602 10.684 -8.134 1.952 1.00 43.13 H new ATOM 0 HA ASP A 602 11.810 -7.169 -0.441 1.00 4.31 H new ATOM 0 HB2 ASP A 602 9.266 -8.780 0.015 1.00 62.02 H new ATOM 0 HB3 ASP A 602 10.134 -8.648 -1.502 1.00 62.02 H new ATOM 633 N VAL A 603 8.918 -5.879 0.419 1.00 65.44 N ATOM 634 CA VAL A 603 7.969 -4.816 0.118 1.00 14.53 C ATOM 635 C VAL A 603 8.666 -3.461 0.054 1.00 12.35 C ATOM 636 O VAL A 603 8.262 -2.578 -0.704 1.00 75.25 O ATOM 637 CB VAL A 603 6.845 -4.753 1.169 1.00 0.53 C ATOM 638 CG1 VAL A 603 6.018 -3.488 0.992 1.00 64.22 C ATOM 639 CG2 VAL A 603 5.965 -5.991 1.083 1.00 55.43 C ATOM 0 H VAL A 603 8.744 -6.362 1.300 1.00 65.44 H new ATOM 0 HA VAL A 603 7.534 -5.045 -0.855 1.00 14.53 H new ATOM 0 HB VAL A 603 7.299 -4.726 2.160 1.00 0.53 H new ATOM 0 HG11 VAL A 603 5.229 -3.461 1.743 1.00 64.22 H new ATOM 0 HG12 VAL A 603 6.660 -2.615 1.108 1.00 64.22 H new ATOM 0 HG13 VAL A 603 5.572 -3.481 -0.003 1.00 64.22 H new ATOM 0 HG21 VAL A 603 5.176 -5.930 1.833 1.00 55.43 H new ATOM 0 HG22 VAL A 603 5.518 -6.052 0.091 1.00 55.43 H new ATOM 0 HG23 VAL A 603 6.569 -6.880 1.264 1.00 55.43 H new ATOM 649 N LYS A 604 9.714 -3.302 0.854 1.00 32.01 N ATOM 650 CA LYS A 604 10.470 -2.055 0.888 1.00 30.10 C ATOM 651 C LYS A 604 11.265 -1.865 -0.401 1.00 24.34 C ATOM 652 O LYS A 604 11.220 -0.800 -1.016 1.00 64.53 O ATOM 653 CB LYS A 604 11.417 -2.042 2.089 1.00 43.41 C ATOM 654 CG LYS A 604 12.050 -0.686 2.350 1.00 40.13 C ATOM 655 CD LYS A 604 12.799 -0.664 3.672 1.00 54.10 C ATOM 656 CE LYS A 604 11.895 -0.234 4.817 1.00 53.22 C ATOM 657 NZ LYS A 604 11.404 1.160 4.642 1.00 12.21 N ATOM 0 H LYS A 604 10.060 -4.022 1.489 1.00 32.01 H new ATOM 0 HA LYS A 604 9.761 -1.232 0.982 1.00 30.10 H new ATOM 0 HB2 LYS A 604 10.868 -2.354 2.977 1.00 43.41 H new ATOM 0 HB3 LYS A 604 12.206 -2.777 1.927 1.00 43.41 H new ATOM 0 HG2 LYS A 604 12.735 -0.441 1.539 1.00 40.13 H new ATOM 0 HG3 LYS A 604 11.277 0.082 2.356 1.00 40.13 H new ATOM 0 HD2 LYS A 604 13.204 -1.655 3.879 1.00 54.10 H new ATOM 0 HD3 LYS A 604 13.646 0.018 3.600 1.00 54.10 H new ATOM 0 HE2 LYS A 604 11.045 -0.913 4.883 1.00 53.22 H new ATOM 0 HE3 LYS A 604 12.439 -0.312 5.758 1.00 53.22 H new ATOM 0 HZ1 LYS A 604 11.329 1.621 5.571 1.00 12.21 H new ATOM 0 HZ2 LYS A 604 12.070 1.690 4.045 1.00 12.21 H new ATOM 0 HZ3 LYS A 604 10.469 1.144 4.187 1.00 12.21 H new ATOM 667 N MET A 605 11.988 -2.905 -0.803 1.00 14.01 N ATOM 668 CA MET A 605 12.789 -2.852 -2.020 1.00 72.33 C ATOM 669 C MET A 605 11.900 -2.861 -3.258 1.00 25.03 C ATOM 670 O MET A 605 12.244 -2.279 -4.286 1.00 22.43 O ATOM 671 CB MET A 605 13.762 -4.033 -2.068 1.00 3.32 C ATOM 672 CG MET A 605 13.081 -5.370 -2.315 1.00 43.21 C ATOM 673 SD MET A 605 14.257 -6.724 -2.496 1.00 31.22 S ATOM 674 CE MET A 605 14.036 -7.137 -4.225 1.00 3.11 C ATOM 0 H MET A 605 12.036 -3.794 -0.304 1.00 14.01 H new ATOM 0 HA MET A 605 13.357 -1.922 -2.010 1.00 72.33 H new ATOM 0 HB2 MET A 605 14.496 -3.857 -2.855 1.00 3.32 H new ATOM 0 HB3 MET A 605 14.309 -4.081 -1.127 1.00 3.32 H new ATOM 0 HG2 MET A 605 12.406 -5.588 -1.487 1.00 43.21 H new ATOM 0 HG3 MET A 605 12.470 -5.302 -3.215 1.00 43.21 H new ATOM 0 HE1 MET A 605 14.698 -7.961 -4.490 1.00 3.11 H new ATOM 0 HE2 MET A 605 13.001 -7.433 -4.399 1.00 3.11 H new ATOM 0 HE3 MET A 605 14.274 -6.269 -4.840 1.00 3.11 H new ATOM 682 N ARG A 606 10.753 -3.524 -3.152 1.00 24.21 N ATOM 683 CA ARG A 606 9.814 -3.610 -4.265 1.00 44.55 C ATOM 684 C ARG A 606 9.033 -2.307 -4.419 1.00 61.04 C ATOM 685 O ARG A 606 8.806 -1.838 -5.533 1.00 14.55 O ATOM 686 CB ARG A 606 8.845 -4.776 -4.053 1.00 14.24 C ATOM 687 CG ARG A 606 7.657 -4.759 -5.002 1.00 13.30 C ATOM 688 CD ARG A 606 8.065 -5.154 -6.412 1.00 65.34 C ATOM 689 NE ARG A 606 8.811 -4.094 -7.085 1.00 41.54 N ATOM 690 CZ ARG A 606 9.591 -4.299 -8.139 1.00 71.42 C ATOM 691 NH1 ARG A 606 9.727 -5.519 -8.641 1.00 24.32 N ATOM 692 NH2 ARG A 606 10.237 -3.283 -8.696 1.00 61.33 N ATOM 0 H ARG A 606 10.451 -4.009 -2.307 1.00 24.21 H new ATOM 0 HA ARG A 606 10.385 -3.782 -5.178 1.00 44.55 H new ATOM 0 HB2 ARG A 606 9.386 -5.714 -4.177 1.00 14.24 H new ATOM 0 HB3 ARG A 606 8.480 -4.752 -3.026 1.00 14.24 H new ATOM 0 HG2 ARG A 606 6.890 -5.443 -4.639 1.00 13.30 H new ATOM 0 HG3 ARG A 606 7.215 -3.763 -5.016 1.00 13.30 H new ATOM 0 HD2 ARG A 606 8.674 -6.057 -6.373 1.00 65.34 H new ATOM 0 HD3 ARG A 606 7.175 -5.395 -6.993 1.00 65.34 H new ATOM 0 HE ARG A 606 8.728 -3.143 -6.725 1.00 41.54 H new ATOM 0 HH11 ARG A 606 9.231 -6.303 -8.217 1.00 24.32 H new ATOM 0 HH12 ARG A 606 10.327 -5.673 -9.451 1.00 24.32 H new ATOM 0 HH21 ARG A 606 10.135 -2.343 -8.314 1.00 61.33 H new ATOM 0 HH22 ARG A 606 10.836 -3.442 -9.506 1.00 61.33 H new ATOM 703 N ALA A 607 8.626 -1.731 -3.293 1.00 53.31 N ATOM 704 CA ALA A 607 7.873 -0.483 -3.303 1.00 50.24 C ATOM 705 C ALA A 607 8.808 0.721 -3.361 1.00 1.33 C ATOM 706 O ALA A 607 8.868 1.424 -4.369 1.00 74.14 O ATOM 707 CB ALA A 607 6.976 -0.398 -2.078 1.00 44.32 C ATOM 0 H ALA A 607 8.805 -2.108 -2.362 1.00 53.31 H new ATOM 0 HA ALA A 607 7.250 -0.470 -4.197 1.00 50.24 H new ATOM 0 HB1 ALA A 607 6.420 0.539 -2.099 1.00 44.32 H new ATOM 0 HB2 ALA A 607 6.277 -1.235 -2.080 1.00 44.32 H new ATOM 0 HB3 ALA A 607 7.587 -0.437 -1.176 1.00 44.32 H new ATOM 713 N PHE A 608 9.534 0.953 -2.272 1.00 14.11 N ATOM 714 CA PHE A 608 10.465 2.074 -2.199 1.00 3.25 C ATOM 715 C PHE A 608 11.676 1.834 -3.092 1.00 73.55 C ATOM 716 O PHE A 608 12.359 0.816 -2.971 1.00 21.22 O ATOM 717 CB PHE A 608 10.917 2.295 -0.754 1.00 22.40 C ATOM 718 CG PHE A 608 9.790 2.626 0.183 1.00 72.32 C ATOM 719 CD1 PHE A 608 8.983 1.624 0.697 1.00 14.42 C ATOM 720 CD2 PHE A 608 9.540 3.938 0.550 1.00 3.12 C ATOM 721 CE1 PHE A 608 7.946 1.925 1.560 1.00 43.21 C ATOM 722 CE2 PHE A 608 8.505 4.245 1.413 1.00 20.11 C ATOM 723 CZ PHE A 608 7.706 3.237 1.917 1.00 12.13 C ATOM 0 H PHE A 608 9.496 0.380 -1.429 1.00 14.11 H new ATOM 0 HA PHE A 608 9.948 2.967 -2.551 1.00 3.25 H new ATOM 0 HB2 PHE A 608 11.423 1.397 -0.399 1.00 22.40 H new ATOM 0 HB3 PHE A 608 11.648 3.103 -0.730 1.00 22.40 H new ATOM 0 HD1 PHE A 608 9.166 0.596 0.420 1.00 14.42 H new ATOM 0 HD2 PHE A 608 10.161 4.730 0.157 1.00 3.12 H new ATOM 0 HE1 PHE A 608 7.324 1.135 1.955 1.00 43.21 H new ATOM 0 HE2 PHE A 608 8.321 5.272 1.693 1.00 20.11 H new ATOM 0 HZ PHE A 608 6.895 3.475 2.589 1.00 12.13 H new ATOM 732 N ASP A 609 11.939 2.776 -3.991 1.00 12.32 N ATOM 733 CA ASP A 609 13.070 2.669 -4.906 1.00 64.31 C ATOM 734 C ASP A 609 14.388 2.874 -4.167 1.00 45.41 C ATOM 735 O ASP A 609 15.401 2.261 -4.503 1.00 2.33 O ATOM 736 CB ASP A 609 12.939 3.692 -6.034 1.00 12.23 C ATOM 737 CG ASP A 609 13.985 3.500 -7.114 1.00 53.53 C ATOM 738 OD1 ASP A 609 13.945 2.458 -7.800 1.00 34.43 O ATOM 739 OD2 ASP A 609 14.846 4.392 -7.272 1.00 52.31 O ATOM 0 H ASP A 609 11.383 3.624 -4.106 1.00 12.32 H new ATOM 0 HA ASP A 609 13.066 1.666 -5.333 1.00 64.31 H new ATOM 0 HB2 ASP A 609 11.946 3.615 -6.476 1.00 12.23 H new ATOM 0 HB3 ASP A 609 13.027 4.697 -5.621 1.00 12.23 H new ATOM 743 N ASN A 610 14.367 3.740 -3.159 1.00 63.15 N ATOM 744 CA ASN A 610 15.562 4.026 -2.372 1.00 72.12 C ATOM 745 C ASN A 610 15.565 3.223 -1.076 1.00 40.10 C ATOM 746 O ASN A 610 15.962 3.725 -0.024 1.00 64.22 O ATOM 747 CB ASN A 610 15.646 5.522 -2.059 1.00 21.34 C ATOM 748 CG ASN A 610 14.530 5.983 -1.141 1.00 51.13 C ATOM 749 OD1 ASN A 610 13.553 5.267 -0.924 1.00 43.14 O ATOM 750 ND2 ASN A 610 14.673 7.186 -0.596 1.00 42.01 N ATOM 0 H ASN A 610 13.537 4.256 -2.868 1.00 63.15 H new ATOM 0 HA ASN A 610 16.432 3.735 -2.960 1.00 72.12 H new ATOM 0 HB2 ASN A 610 16.608 5.740 -1.595 1.00 21.34 H new ATOM 0 HB3 ASN A 610 15.605 6.088 -2.989 1.00 21.34 H new ATOM 0 HD21 ASN A 610 13.956 7.550 0.031 1.00 42.01 H new ATOM 0 HD22 ASN A 610 15.500 7.745 -0.804 1.00 42.01 H new ATOM 756 N ALA A 611 15.122 1.973 -1.158 1.00 33.21 N ATOM 757 CA ALA A 611 15.076 1.100 0.007 1.00 61.11 C ATOM 758 C ALA A 611 16.465 0.912 0.607 1.00 74.34 C ATOM 759 O ALA A 611 17.427 1.551 0.182 1.00 13.22 O ATOM 760 CB ALA A 611 14.474 -0.247 -0.366 1.00 50.52 C ATOM 0 H ALA A 611 14.790 1.542 -2.021 1.00 33.21 H new ATOM 0 HA ALA A 611 14.444 1.572 0.759 1.00 61.11 H new ATOM 0 HB1 ALA A 611 14.446 -0.889 0.514 1.00 50.52 H new ATOM 0 HB2 ALA A 611 13.461 -0.101 -0.742 1.00 50.52 H new ATOM 0 HB3 ALA A 611 15.083 -0.716 -1.138 1.00 50.52 H new ATOM 766 N ASP A 612 16.563 0.031 1.597 1.00 14.32 N ATOM 767 CA ASP A 612 17.836 -0.241 2.255 1.00 3.53 C ATOM 768 C ASP A 612 18.359 1.006 2.962 1.00 70.32 C ATOM 769 O ASP A 612 19.562 1.145 3.187 1.00 11.02 O ATOM 770 CB ASP A 612 18.865 -0.736 1.239 1.00 3.22 C ATOM 771 CG ASP A 612 18.317 -1.834 0.349 1.00 60.40 C ATOM 772 OD1 ASP A 612 17.660 -2.755 0.879 1.00 14.13 O ATOM 773 OD2 ASP A 612 18.546 -1.774 -0.878 1.00 22.13 O ATOM 0 H ASP A 612 15.777 -0.507 1.961 1.00 14.32 H new ATOM 0 HA ASP A 612 17.672 -1.018 3.001 1.00 3.53 H new ATOM 0 HB2 ASP A 612 19.192 0.100 0.621 1.00 3.22 H new ATOM 0 HB3 ASP A 612 19.744 -1.105 1.767 1.00 3.22 H new ATOM 777 N HIS A 613 17.448 1.910 3.309 1.00 71.24 N ATOM 778 CA HIS A 613 17.819 3.145 3.989 1.00 54.32 C ATOM 779 C HIS A 613 16.894 3.412 5.174 1.00 34.51 C ATOM 780 O HIS A 613 17.348 3.788 6.255 1.00 3.22 O ATOM 781 CB HIS A 613 17.771 4.323 3.015 1.00 52.23 C ATOM 782 CG HIS A 613 18.984 4.426 2.140 1.00 4.21 C ATOM 783 ND1 HIS A 613 20.260 4.163 2.590 1.00 32.22 N ATOM 784 CD2 HIS A 613 19.107 4.764 0.836 1.00 41.00 C ATOM 785 CE1 HIS A 613 21.117 4.337 1.600 1.00 32.24 C ATOM 786 NE2 HIS A 613 20.443 4.701 0.523 1.00 43.33 N ATOM 0 H HIS A 613 16.449 1.810 3.130 1.00 71.24 H new ATOM 0 HA HIS A 613 18.837 3.033 4.363 1.00 54.32 H new ATOM 0 HB2 HIS A 613 16.886 4.228 2.386 1.00 52.23 H new ATOM 0 HB3 HIS A 613 17.662 5.248 3.581 1.00 52.23 H new ATOM 0 HD2 HIS A 613 18.304 5.033 0.166 1.00 41.00 H new ATOM 0 HE1 HIS A 613 22.187 4.204 1.660 1.00 32.24 H new ATOM 0 HE2 HIS A 613 20.849 4.902 -0.391 1.00 43.33 H new ATOM 793 N ARG A 614 15.597 3.217 4.960 1.00 65.11 N ATOM 794 CA ARG A 614 14.609 3.437 6.009 1.00 4.00 C ATOM 795 C ARG A 614 14.179 2.115 6.638 1.00 42.30 C ATOM 796 O ARG A 614 14.289 1.056 6.020 1.00 65.33 O ATOM 797 CB ARG A 614 13.389 4.166 5.444 1.00 3.33 C ATOM 798 CG ARG A 614 12.684 5.051 6.460 1.00 41.21 C ATOM 799 CD ARG A 614 13.406 6.377 6.640 1.00 31.42 C ATOM 800 NE ARG A 614 14.482 6.285 7.624 1.00 32.22 N ATOM 801 CZ ARG A 614 14.275 6.192 8.932 1.00 43.42 C ATOM 802 NH1 ARG A 614 13.040 6.176 9.412 1.00 0.34 N ATOM 803 NH2 ARG A 614 15.306 6.112 9.764 1.00 23.11 N ATOM 0 H ARG A 614 15.206 2.907 4.070 1.00 65.11 H new ATOM 0 HA ARG A 614 15.068 4.054 6.782 1.00 4.00 H new ATOM 0 HB2 ARG A 614 13.701 4.777 4.597 1.00 3.33 H new ATOM 0 HB3 ARG A 614 12.681 3.430 5.062 1.00 3.33 H new ATOM 0 HG2 ARG A 614 11.660 5.234 6.136 1.00 41.21 H new ATOM 0 HG3 ARG A 614 12.627 4.533 7.418 1.00 41.21 H new ATOM 0 HD2 ARG A 614 13.816 6.699 5.683 1.00 31.42 H new ATOM 0 HD3 ARG A 614 12.692 7.139 6.953 1.00 31.42 H new ATOM 0 HE ARG A 614 15.445 6.293 7.288 1.00 32.22 H new ATOM 0 HH11 ARG A 614 12.245 6.235 8.776 1.00 0.34 H new ATOM 0 HH12 ARG A 614 12.885 6.104 10.418 1.00 0.34 H new ATOM 0 HH21 ARG A 614 16.258 6.122 9.399 1.00 23.11 H new ATOM 0 HH22 ARG A 614 15.146 6.041 10.769 1.00 23.11 H new ATOM 814 N THR A 615 13.688 2.184 7.872 1.00 41.11 N ATOM 815 CA THR A 615 13.243 0.994 8.585 1.00 52.41 C ATOM 816 C THR A 615 11.909 0.494 8.043 1.00 13.03 C ATOM 817 O THR A 615 11.156 1.251 7.429 1.00 44.01 O ATOM 818 CB THR A 615 13.102 1.264 10.095 1.00 41.42 C ATOM 819 OG1 THR A 615 14.210 2.043 10.560 1.00 60.44 O ATOM 820 CG2 THR A 615 13.030 -0.041 10.875 1.00 30.22 C ATOM 0 H THR A 615 13.589 3.052 8.398 1.00 41.11 H new ATOM 0 HA THR A 615 14.004 0.230 8.429 1.00 52.41 H new ATOM 0 HB THR A 615 12.177 1.817 10.257 1.00 41.42 H new ATOM 0 HG1 THR A 615 14.111 2.211 11.520 1.00 60.44 H new ATOM 0 HG21 THR A 615 12.931 0.176 11.939 1.00 30.22 H new ATOM 0 HG22 THR A 615 12.168 -0.618 10.540 1.00 30.22 H new ATOM 0 HG23 THR A 615 13.940 -0.617 10.706 1.00 30.22 H new ATOM 828 N TYR A 616 11.623 -0.782 8.274 1.00 23.32 N ATOM 829 CA TYR A 616 10.380 -1.383 7.806 1.00 3.11 C ATOM 830 C TYR A 616 9.171 -0.686 8.425 1.00 73.30 C ATOM 831 O TYR A 616 8.064 -0.746 7.891 1.00 74.10 O ATOM 832 CB TYR A 616 10.351 -2.875 8.143 1.00 10.30 C ATOM 833 CG TYR A 616 10.184 -3.158 9.619 1.00 60.10 C ATOM 834 CD1 TYR A 616 11.258 -3.047 10.494 1.00 61.51 C ATOM 835 CD2 TYR A 616 8.953 -3.538 10.139 1.00 0.24 C ATOM 836 CE1 TYR A 616 11.111 -3.306 11.843 1.00 24.52 C ATOM 837 CE2 TYR A 616 8.795 -3.797 11.487 1.00 51.34 C ATOM 838 CZ TYR A 616 9.878 -3.680 12.334 1.00 45.41 C ATOM 839 OH TYR A 616 9.726 -3.939 13.678 1.00 72.51 O ATOM 0 H TYR A 616 12.235 -1.420 8.782 1.00 23.32 H new ATOM 0 HA TYR A 616 10.332 -1.261 6.724 1.00 3.11 H new ATOM 0 HB2 TYR A 616 9.535 -3.347 7.596 1.00 10.30 H new ATOM 0 HB3 TYR A 616 11.276 -3.336 7.795 1.00 10.30 H new ATOM 0 HD1 TYR A 616 12.225 -2.753 10.113 1.00 61.51 H new ATOM 0 HD2 TYR A 616 8.104 -3.633 9.478 1.00 0.24 H new ATOM 0 HE1 TYR A 616 11.957 -3.216 12.509 1.00 24.52 H new ATOM 0 HE2 TYR A 616 7.830 -4.089 11.875 1.00 51.34 H new ATOM 0 HH TYR A 616 8.796 -4.189 13.860 1.00 72.51 H new ATOM 848 N VAL A 617 9.394 -0.025 9.557 1.00 23.13 N ATOM 849 CA VAL A 617 8.325 0.685 10.250 1.00 32.42 C ATOM 850 C VAL A 617 7.580 1.617 9.301 1.00 21.34 C ATOM 851 O VAL A 617 6.375 1.830 9.442 1.00 40.30 O ATOM 852 CB VAL A 617 8.871 1.504 11.433 1.00 13.42 C ATOM 853 CG1 VAL A 617 9.807 2.597 10.940 1.00 75.12 C ATOM 854 CG2 VAL A 617 7.727 2.096 12.244 1.00 72.24 C ATOM 0 H VAL A 617 10.304 0.034 10.013 1.00 23.13 H new ATOM 0 HA VAL A 617 7.636 -0.070 10.628 1.00 32.42 H new ATOM 0 HB VAL A 617 9.440 0.838 12.082 1.00 13.42 H new ATOM 0 HG11 VAL A 617 10.183 3.165 11.791 1.00 75.12 H new ATOM 0 HG12 VAL A 617 10.644 2.146 10.407 1.00 75.12 H new ATOM 0 HG13 VAL A 617 9.266 3.264 10.269 1.00 75.12 H new ATOM 0 HG21 VAL A 617 8.131 2.672 13.077 1.00 72.24 H new ATOM 0 HG22 VAL A 617 7.129 2.749 11.608 1.00 72.24 H new ATOM 0 HG23 VAL A 617 7.100 1.292 12.630 1.00 72.24 H new ATOM 864 N ASP A 618 8.304 2.170 8.335 1.00 15.21 N ATOM 865 CA ASP A 618 7.711 3.081 7.361 1.00 72.42 C ATOM 866 C ASP A 618 6.657 2.365 6.521 1.00 1.13 C ATOM 867 O ASP A 618 5.529 2.842 6.384 1.00 63.10 O ATOM 868 CB ASP A 618 8.794 3.665 6.452 1.00 62.44 C ATOM 869 CG ASP A 618 8.979 5.155 6.657 1.00 54.01 C ATOM 870 OD1 ASP A 618 9.386 5.555 7.768 1.00 11.41 O ATOM 871 OD2 ASP A 618 8.717 5.923 5.708 1.00 20.32 O ATOM 0 H ASP A 618 9.302 2.004 8.205 1.00 15.21 H new ATOM 0 HA ASP A 618 7.228 3.892 7.905 1.00 72.42 H new ATOM 0 HB2 ASP A 618 9.738 3.155 6.642 1.00 62.44 H new ATOM 0 HB3 ASP A 618 8.533 3.474 5.411 1.00 62.44 H new ATOM 875 N LEU A 619 7.031 1.221 5.961 1.00 34.42 N ATOM 876 CA LEU A 619 6.118 0.440 5.133 1.00 22.04 C ATOM 877 C LEU A 619 5.036 -0.215 5.985 1.00 42.31 C ATOM 878 O LEU A 619 3.945 -0.516 5.500 1.00 13.23 O ATOM 879 CB LEU A 619 6.889 -0.628 4.357 1.00 62.42 C ATOM 880 CG LEU A 619 7.089 -1.965 5.072 1.00 25.03 C ATOM 881 CD1 LEU A 619 5.993 -2.947 4.684 1.00 40.22 C ATOM 882 CD2 LEU A 619 8.460 -2.541 4.755 1.00 21.21 C ATOM 0 H LEU A 619 7.960 0.813 6.065 1.00 34.42 H new ATOM 0 HA LEU A 619 5.638 1.117 4.427 1.00 22.04 H new ATOM 0 HB2 LEU A 619 6.366 -0.815 3.419 1.00 62.42 H new ATOM 0 HB3 LEU A 619 7.869 -0.226 4.101 1.00 62.42 H new ATOM 0 HG LEU A 619 7.030 -1.792 6.147 1.00 25.03 H new ATOM 0 HD11 LEU A 619 6.152 -3.893 5.202 1.00 40.22 H new ATOM 0 HD12 LEU A 619 5.022 -2.538 4.964 1.00 40.22 H new ATOM 0 HD13 LEU A 619 6.019 -3.115 3.607 1.00 40.22 H new ATOM 0 HD21 LEU A 619 8.584 -3.492 5.273 1.00 21.21 H new ATOM 0 HD22 LEU A 619 8.549 -2.699 3.680 1.00 21.21 H new ATOM 0 HD23 LEU A 619 9.232 -1.846 5.085 1.00 21.21 H new ATOM 893 N LYS A 620 5.344 -0.432 7.259 1.00 65.01 N ATOM 894 CA LYS A 620 4.398 -1.049 8.181 1.00 12.31 C ATOM 895 C LYS A 620 3.233 -0.109 8.475 1.00 53.33 C ATOM 896 O LYS A 620 2.086 -0.541 8.577 1.00 25.34 O ATOM 897 CB LYS A 620 5.101 -1.430 9.486 1.00 14.51 C ATOM 898 CG LYS A 620 4.495 -2.642 10.171 1.00 63.14 C ATOM 899 CD LYS A 620 4.950 -2.751 11.617 1.00 43.24 C ATOM 900 CE LYS A 620 3.991 -3.598 12.441 1.00 14.20 C ATOM 901 NZ LYS A 620 4.594 -4.015 13.737 1.00 72.14 N ATOM 0 H LYS A 620 6.242 -0.189 7.677 1.00 65.01 H new ATOM 0 HA LYS A 620 4.005 -1.950 7.710 1.00 12.31 H new ATOM 0 HB2 LYS A 620 6.152 -1.628 9.278 1.00 14.51 H new ATOM 0 HB3 LYS A 620 5.066 -0.581 10.169 1.00 14.51 H new ATOM 0 HG2 LYS A 620 3.408 -2.576 10.135 1.00 63.14 H new ATOM 0 HG3 LYS A 620 4.777 -3.546 9.631 1.00 63.14 H new ATOM 0 HD2 LYS A 620 5.947 -3.189 11.654 1.00 43.24 H new ATOM 0 HD3 LYS A 620 5.023 -1.755 12.053 1.00 43.24 H new ATOM 0 HE2 LYS A 620 3.078 -3.033 12.630 1.00 14.20 H new ATOM 0 HE3 LYS A 620 3.706 -4.483 11.871 1.00 14.20 H new ATOM 0 HZ1 LYS A 620 3.910 -4.590 14.269 1.00 72.14 H new ATOM 0 HZ2 LYS A 620 5.451 -4.575 13.557 1.00 72.14 H new ATOM 0 HZ3 LYS A 620 4.842 -3.171 14.292 1.00 72.14 H new ATOM 911 N ASP A 621 3.536 1.177 8.608 1.00 12.33 N ATOM 912 CA ASP A 621 2.514 2.179 8.887 1.00 12.43 C ATOM 913 C ASP A 621 1.632 2.412 7.664 1.00 73.45 C ATOM 914 O ASP A 621 0.408 2.486 7.772 1.00 15.20 O ATOM 915 CB ASP A 621 3.162 3.495 9.320 1.00 52.43 C ATOM 916 CG ASP A 621 2.215 4.375 10.110 1.00 35.04 C ATOM 917 OD1 ASP A 621 1.223 3.844 10.650 1.00 23.23 O ATOM 918 OD2 ASP A 621 2.464 5.597 10.187 1.00 43.14 O ATOM 0 H ASP A 621 4.482 1.551 8.527 1.00 12.33 H new ATOM 0 HA ASP A 621 1.889 1.806 9.699 1.00 12.43 H new ATOM 0 HB2 ASP A 621 4.043 3.281 9.924 1.00 52.43 H new ATOM 0 HB3 ASP A 621 3.504 4.035 8.438 1.00 52.43 H new ATOM 922 N LYS A 622 2.262 2.526 6.500 1.00 72.24 N ATOM 923 CA LYS A 622 1.537 2.749 5.254 1.00 51.32 C ATOM 924 C LYS A 622 0.601 1.582 4.953 1.00 52.13 C ATOM 925 O LYS A 622 -0.456 1.762 4.349 1.00 14.42 O ATOM 926 CB LYS A 622 2.517 2.942 4.096 1.00 74.24 C ATOM 927 CG LYS A 622 1.877 3.519 2.846 1.00 11.31 C ATOM 928 CD LYS A 622 2.209 4.992 2.678 1.00 10.20 C ATOM 929 CE LYS A 622 3.651 5.193 2.242 1.00 74.53 C ATOM 930 NZ LYS A 622 4.537 5.534 3.389 1.00 10.43 N ATOM 0 H LYS A 622 3.275 2.468 6.393 1.00 72.24 H new ATOM 0 HA LYS A 622 0.938 3.653 5.369 1.00 51.32 H new ATOM 0 HB2 LYS A 622 3.322 3.602 4.419 1.00 74.24 H new ATOM 0 HB3 LYS A 622 2.971 1.982 3.851 1.00 74.24 H new ATOM 0 HG2 LYS A 622 2.221 2.966 1.972 1.00 11.31 H new ATOM 0 HG3 LYS A 622 0.796 3.393 2.898 1.00 11.31 H new ATOM 0 HD2 LYS A 622 1.540 5.435 1.940 1.00 10.20 H new ATOM 0 HD3 LYS A 622 2.036 5.514 3.619 1.00 10.20 H new ATOM 0 HE2 LYS A 622 4.014 4.285 1.760 1.00 74.53 H new ATOM 0 HE3 LYS A 622 3.698 5.989 1.499 1.00 74.53 H new ATOM 0 HZ1 LYS A 622 5.138 6.344 3.135 1.00 10.43 H new ATOM 0 HZ2 LYS A 622 3.956 5.780 4.216 1.00 10.43 H new ATOM 0 HZ3 LYS A 622 5.138 4.717 3.619 1.00 10.43 H new ATOM 940 N TRP A 623 0.997 0.388 5.379 1.00 72.50 N ATOM 941 CA TRP A 623 0.193 -0.808 5.155 1.00 34.12 C ATOM 942 C TRP A 623 -1.053 -0.798 6.033 1.00 32.13 C ATOM 943 O TRP A 623 -2.173 -0.936 5.541 1.00 22.01 O ATOM 944 CB TRP A 623 1.020 -2.064 5.436 1.00 20.30 C ATOM 945 CG TRP A 623 0.215 -3.187 6.015 1.00 72.34 C ATOM 946 CD1 TRP A 623 -0.831 -3.837 5.423 1.00 40.15 C ATOM 947 CD2 TRP A 623 0.390 -3.792 7.301 1.00 20.34 C ATOM 948 NE1 TRP A 623 -1.317 -4.808 6.264 1.00 62.44 N ATOM 949 CE2 TRP A 623 -0.585 -4.803 7.421 1.00 52.51 C ATOM 950 CE3 TRP A 623 1.275 -3.580 8.360 1.00 43.44 C ATOM 951 CZ2 TRP A 623 -0.696 -5.596 8.560 1.00 3.52 C ATOM 952 CZ3 TRP A 623 1.163 -4.368 9.491 1.00 32.33 C ATOM 953 CH2 TRP A 623 0.183 -5.366 9.584 1.00 73.51 C ATOM 0 H TRP A 623 1.869 0.222 5.881 1.00 72.50 H new ATOM 0 HA TRP A 623 -0.121 -0.814 4.111 1.00 34.12 H new ATOM 0 HB2 TRP A 623 1.484 -2.400 4.509 1.00 20.30 H new ATOM 0 HB3 TRP A 623 1.827 -1.813 6.124 1.00 20.30 H new ATOM 0 HD1 TRP A 623 -1.219 -3.619 4.439 1.00 40.15 H new ATOM 0 HE1 TRP A 623 -2.097 -5.432 6.060 1.00 62.44 H new ATOM 0 HE3 TRP A 623 2.034 -2.814 8.297 1.00 43.44 H new ATOM 0 HZ2 TRP A 623 -1.450 -6.366 8.633 1.00 3.52 H new ATOM 0 HZ3 TRP A 623 1.842 -4.212 10.316 1.00 32.33 H new ATOM 0 HH2 TRP A 623 0.120 -5.965 10.481 1.00 73.51 H new ATOM 963 N LYS A 624 -0.851 -0.634 7.337 1.00 24.33 N ATOM 964 CA LYS A 624 -1.959 -0.604 8.285 1.00 23.41 C ATOM 965 C LYS A 624 -2.954 0.494 7.924 1.00 25.53 C ATOM 966 O LYS A 624 -4.162 0.257 7.865 1.00 31.30 O ATOM 967 CB LYS A 624 -1.435 -0.386 9.706 1.00 24.24 C ATOM 968 CG LYS A 624 -2.458 -0.697 10.785 1.00 51.41 C ATOM 969 CD LYS A 624 -3.224 0.548 11.202 1.00 62.51 C ATOM 970 CE LYS A 624 -3.677 0.464 12.652 1.00 75.15 C ATOM 971 NZ LYS A 624 -4.465 1.661 13.057 1.00 70.32 N ATOM 0 H LYS A 624 0.070 -0.520 7.761 1.00 24.33 H new ATOM 0 HA LYS A 624 -2.472 -1.564 8.237 1.00 23.41 H new ATOM 0 HB2 LYS A 624 -0.555 -1.011 9.860 1.00 24.24 H new ATOM 0 HB3 LYS A 624 -1.112 0.650 9.811 1.00 24.24 H new ATOM 0 HG2 LYS A 624 -3.156 -1.450 10.419 1.00 51.41 H new ATOM 0 HG3 LYS A 624 -1.955 -1.124 11.653 1.00 51.41 H new ATOM 0 HD2 LYS A 624 -2.593 1.427 11.067 1.00 62.51 H new ATOM 0 HD3 LYS A 624 -4.092 0.676 10.555 1.00 62.51 H new ATOM 0 HE2 LYS A 624 -4.281 -0.433 12.793 1.00 75.15 H new ATOM 0 HE3 LYS A 624 -2.806 0.367 13.300 1.00 75.15 H new ATOM 0 HZ1 LYS A 624 -4.755 1.566 14.051 1.00 70.32 H new ATOM 0 HZ2 LYS A 624 -3.881 2.515 12.947 1.00 70.32 H new ATOM 0 HZ3 LYS A 624 -5.310 1.740 12.456 1.00 70.32 H new ATOM 981 N THR A 625 -2.442 1.696 7.682 1.00 13.12 N ATOM 982 CA THR A 625 -3.285 2.830 7.326 1.00 5.50 C ATOM 983 C THR A 625 -4.026 2.576 6.018 1.00 51.34 C ATOM 984 O THR A 625 -5.137 3.066 5.817 1.00 32.20 O ATOM 985 CB THR A 625 -2.460 4.124 7.195 1.00 34.34 C ATOM 986 OG1 THR A 625 -3.335 5.255 7.107 1.00 75.55 O ATOM 987 CG2 THR A 625 -1.566 4.072 5.965 1.00 55.22 C ATOM 0 H THR A 625 -1.446 1.910 7.726 1.00 13.12 H new ATOM 0 HA THR A 625 -4.009 2.951 8.132 1.00 5.50 H new ATOM 0 HB THR A 625 -1.830 4.220 8.079 1.00 34.34 H new ATOM 0 HG1 THR A 625 -2.803 6.074 7.025 1.00 75.55 H new ATOM 0 HG21 THR A 625 -0.993 4.996 5.893 1.00 55.22 H new ATOM 0 HG22 THR A 625 -0.883 3.227 6.047 1.00 55.22 H new ATOM 0 HG23 THR A 625 -2.181 3.956 5.073 1.00 55.22 H new ATOM 995 N LEU A 626 -3.403 1.807 5.132 1.00 74.22 N ATOM 996 CA LEU A 626 -4.004 1.488 3.842 1.00 72.42 C ATOM 997 C LEU A 626 -5.270 0.656 4.022 1.00 34.12 C ATOM 998 O LEU A 626 -6.339 1.020 3.531 1.00 41.52 O ATOM 999 CB LEU A 626 -3.003 0.731 2.965 1.00 21.34 C ATOM 1000 CG LEU A 626 -2.473 1.488 1.747 1.00 74.24 C ATOM 1001 CD1 LEU A 626 -1.537 0.605 0.936 1.00 54.25 C ATOM 1002 CD2 LEU A 626 -3.624 1.983 0.882 1.00 50.15 C ATOM 0 H LEU A 626 -2.483 1.393 5.283 1.00 74.22 H new ATOM 0 HA LEU A 626 -4.273 2.424 3.352 1.00 72.42 H new ATOM 0 HB2 LEU A 626 -2.155 0.440 3.585 1.00 21.34 H new ATOM 0 HB3 LEU A 626 -3.476 -0.188 2.619 1.00 21.34 H new ATOM 0 HG LEU A 626 -1.911 2.353 2.098 1.00 74.24 H new ATOM 0 HD11 LEU A 626 -1.170 1.160 0.073 1.00 54.25 H new ATOM 0 HD12 LEU A 626 -0.695 0.301 1.557 1.00 54.25 H new ATOM 0 HD13 LEU A 626 -2.075 -0.280 0.596 1.00 54.25 H new ATOM 0 HD21 LEU A 626 -3.227 2.519 0.020 1.00 50.15 H new ATOM 0 HD22 LEU A 626 -4.214 1.133 0.540 1.00 50.15 H new ATOM 0 HD23 LEU A 626 -4.256 2.652 1.466 1.00 50.15 H new ATOM 1013 N VAL A 627 -5.142 -0.462 4.729 1.00 12.12 N ATOM 1014 CA VAL A 627 -6.276 -1.344 4.976 1.00 41.21 C ATOM 1015 C VAL A 627 -7.410 -0.598 5.673 1.00 72.20 C ATOM 1016 O VAL A 627 -8.541 -0.574 5.188 1.00 4.41 O ATOM 1017 CB VAL A 627 -5.869 -2.555 5.836 1.00 54.31 C ATOM 1018 CG1 VAL A 627 -6.927 -3.645 5.760 1.00 12.45 C ATOM 1019 CG2 VAL A 627 -4.512 -3.086 5.399 1.00 32.54 C ATOM 0 H VAL A 627 -4.264 -0.778 5.141 1.00 12.12 H new ATOM 0 HA VAL A 627 -6.620 -1.698 4.004 1.00 41.21 H new ATOM 0 HB VAL A 627 -5.790 -2.231 6.874 1.00 54.31 H new ATOM 0 HG11 VAL A 627 -6.621 -4.492 6.374 1.00 12.45 H new ATOM 0 HG12 VAL A 627 -7.877 -3.256 6.126 1.00 12.45 H new ATOM 0 HG13 VAL A 627 -7.042 -3.969 4.726 1.00 12.45 H new ATOM 0 HG21 VAL A 627 -4.240 -3.942 6.017 1.00 32.54 H new ATOM 0 HG22 VAL A 627 -4.561 -3.394 4.355 1.00 32.54 H new ATOM 0 HG23 VAL A 627 -3.762 -2.304 5.512 1.00 32.54 H new ATOM 1029 N HIS A 628 -7.098 0.010 6.813 1.00 2.43 N ATOM 1030 CA HIS A 628 -8.091 0.758 7.577 1.00 74.33 C ATOM 1031 C HIS A 628 -8.789 1.789 6.696 1.00 14.51 C ATOM 1032 O HIS A 628 -9.955 2.123 6.916 1.00 74.42 O ATOM 1033 CB HIS A 628 -7.431 1.451 8.769 1.00 1.15 C ATOM 1034 CG HIS A 628 -7.285 0.568 9.970 1.00 20.44 C ATOM 1035 ND1 HIS A 628 -6.600 -0.629 9.946 1.00 33.04 N ATOM 1036 CD2 HIS A 628 -7.740 0.713 11.237 1.00 33.13 C ATOM 1037 CE1 HIS A 628 -6.641 -1.182 11.145 1.00 33.21 C ATOM 1038 NE2 HIS A 628 -7.326 -0.387 11.946 1.00 42.30 N ATOM 0 H HIS A 628 -6.166 -0.000 7.228 1.00 2.43 H new ATOM 0 HA HIS A 628 -8.838 0.054 7.944 1.00 74.33 H new ATOM 0 HB2 HIS A 628 -6.446 1.810 8.470 1.00 1.15 H new ATOM 0 HB3 HIS A 628 -8.020 2.327 9.042 1.00 1.15 H new ATOM 0 HD2 HIS A 628 -8.320 1.540 11.619 1.00 33.13 H new ATOM 0 HE1 HIS A 628 -6.191 -2.124 11.423 1.00 33.21 H new ATOM 0 HE2 HIS A 628 -7.517 -0.562 12.933 1.00 42.30 H new ATOM 1045 N THR A 629 -8.069 2.294 5.698 1.00 40.02 N ATOM 1046 CA THR A 629 -8.619 3.289 4.786 1.00 73.33 C ATOM 1047 C THR A 629 -9.503 2.637 3.730 1.00 4.11 C ATOM 1048 O THR A 629 -10.452 3.247 3.238 1.00 52.42 O ATOM 1049 CB THR A 629 -7.502 4.085 4.084 1.00 64.04 C ATOM 1050 OG1 THR A 629 -6.800 4.889 5.038 1.00 74.43 O ATOM 1051 CG2 THR A 629 -8.076 4.972 2.990 1.00 1.04 C ATOM 0 H THR A 629 -7.104 2.030 5.501 1.00 40.02 H new ATOM 0 HA THR A 629 -9.219 3.972 5.387 1.00 73.33 H new ATOM 0 HB THR A 629 -6.811 3.375 3.629 1.00 64.04 H new ATOM 0 HG1 THR A 629 -6.245 4.314 5.605 1.00 74.43 H new ATOM 0 HG21 THR A 629 -7.269 5.524 2.509 1.00 1.04 H new ATOM 0 HG22 THR A 629 -8.585 4.354 2.250 1.00 1.04 H new ATOM 0 HG23 THR A 629 -8.786 5.674 3.426 1.00 1.04 H new ATOM 1059 N ALA A 630 -9.188 1.393 3.386 1.00 64.12 N ATOM 1060 CA ALA A 630 -9.956 0.657 2.390 1.00 30.13 C ATOM 1061 C ALA A 630 -11.439 0.633 2.748 1.00 64.45 C ATOM 1062 O ALA A 630 -12.293 0.939 1.917 1.00 71.31 O ATOM 1063 CB ALA A 630 -9.421 -0.761 2.251 1.00 0.34 C ATOM 0 H ALA A 630 -8.405 0.873 3.783 1.00 64.12 H new ATOM 0 HA ALA A 630 -9.848 1.169 1.434 1.00 30.13 H new ATOM 0 HB1 ALA A 630 -10.005 -1.298 1.504 1.00 0.34 H new ATOM 0 HB2 ALA A 630 -8.377 -0.727 1.940 1.00 0.34 H new ATOM 0 HB3 ALA A 630 -9.498 -1.274 3.209 1.00 0.34 H new ATOM 1069 N SER A 631 -11.736 0.265 3.990 1.00 44.11 N ATOM 1070 CA SER A 631 -13.116 0.196 4.457 1.00 50.11 C ATOM 1071 C SER A 631 -13.191 -0.459 5.833 1.00 1.00 C ATOM 1072 O SER A 631 -13.723 -1.560 5.980 1.00 54.03 O ATOM 1073 CB SER A 631 -13.976 -0.583 3.461 1.00 71.24 C ATOM 1074 OG SER A 631 -14.657 0.293 2.580 1.00 74.44 O ATOM 0 H SER A 631 -11.040 0.010 4.691 1.00 44.11 H new ATOM 0 HA SER A 631 -13.498 1.214 4.537 1.00 50.11 H new ATOM 0 HB2 SER A 631 -13.347 -1.264 2.887 1.00 71.24 H new ATOM 0 HB3 SER A 631 -14.699 -1.195 4.001 1.00 71.24 H new ATOM 0 HG SER A 631 -14.008 0.874 2.130 1.00 74.44 H new ATOM 1079 N ILE A 632 -12.656 0.226 6.838 1.00 0.33 N ATOM 1080 CA ILE A 632 -12.664 -0.288 8.202 1.00 40.01 C ATOM 1081 C ILE A 632 -13.449 0.632 9.132 1.00 24.52 C ATOM 1082 O ILE A 632 -14.498 0.256 9.652 1.00 21.05 O ATOM 1083 CB ILE A 632 -11.234 -0.453 8.749 1.00 22.10 C ATOM 1084 CG1 ILE A 632 -10.617 -1.758 8.241 1.00 25.33 C ATOM 1085 CG2 ILE A 632 -11.243 -0.422 10.271 1.00 75.54 C ATOM 1086 CD1 ILE A 632 -10.564 -1.853 6.732 1.00 63.40 C ATOM 0 H ILE A 632 -12.212 1.138 6.733 1.00 0.33 H new ATOM 0 HA ILE A 632 -13.147 -1.265 8.169 1.00 40.01 H new ATOM 0 HB ILE A 632 -10.626 0.378 8.391 1.00 22.10 H new ATOM 0 HG12 ILE A 632 -9.607 -1.852 8.639 1.00 25.33 H new ATOM 0 HG13 ILE A 632 -11.192 -2.598 8.630 1.00 25.33 H new ATOM 0 HG21 ILE A 632 -10.225 -0.540 10.643 1.00 75.54 H new ATOM 0 HG22 ILE A 632 -11.647 0.531 10.613 1.00 75.54 H new ATOM 0 HG23 ILE A 632 -11.864 -1.235 10.648 1.00 75.54 H new ATOM 0 HD11 ILE A 632 -10.115 -2.803 6.443 1.00 63.40 H new ATOM 0 HD12 ILE A 632 -11.574 -1.791 6.328 1.00 63.40 H new ATOM 0 HD13 ILE A 632 -9.964 -1.033 6.337 1.00 63.40 H new ATOM 1097 N ALA A 633 -12.933 1.839 9.335 1.00 32.34 N ATOM 1098 CA ALA A 633 -13.587 2.814 10.198 1.00 11.33 C ATOM 1099 C ALA A 633 -14.333 3.862 9.377 1.00 43.05 C ATOM 1100 O ALA A 633 -14.015 4.116 8.216 1.00 34.23 O ATOM 1101 CB ALA A 633 -12.567 3.483 11.108 1.00 22.21 C ATOM 0 H ALA A 633 -12.063 2.165 8.913 1.00 32.34 H new ATOM 0 HA ALA A 633 -14.315 2.286 10.813 1.00 11.33 H new ATOM 0 HB1 ALA A 633 -13.070 4.209 11.747 1.00 22.21 H new ATOM 0 HB2 ALA A 633 -12.082 2.729 11.728 1.00 22.21 H new ATOM 0 HB3 ALA A 633 -11.817 3.991 10.502 1.00 22.21 H new ATOM 1107 N PRO A 634 -15.348 4.485 9.994 1.00 31.43 N ATOM 1108 CA PRO A 634 -16.160 5.514 9.338 1.00 15.24 C ATOM 1109 C PRO A 634 -15.382 6.805 9.105 1.00 55.13 C ATOM 1110 O PRO A 634 -15.509 7.435 8.055 1.00 54.45 O ATOM 1111 CB PRO A 634 -17.302 5.751 10.329 1.00 53.35 C ATOM 1112 CG PRO A 634 -16.742 5.356 11.653 1.00 23.32 C ATOM 1113 CD PRO A 634 -15.783 4.231 11.378 1.00 55.01 C ATOM 0 HA PRO A 634 -16.494 5.200 8.349 1.00 15.24 H new ATOM 0 HB2 PRO A 634 -17.617 6.794 10.328 1.00 53.35 H new ATOM 0 HB3 PRO A 634 -18.177 5.153 10.075 1.00 53.35 H new ATOM 0 HG2 PRO A 634 -16.233 6.195 12.128 1.00 23.32 H new ATOM 0 HG3 PRO A 634 -17.533 5.037 12.332 1.00 23.32 H new ATOM 0 HD2 PRO A 634 -14.942 4.241 12.072 1.00 55.01 H new ATOM 0 HD3 PRO A 634 -16.266 3.259 11.476 1.00 55.01 H new ATOM 1118 N GLN A 635 -14.576 7.191 10.089 1.00 60.31 N ATOM 1119 CA GLN A 635 -13.778 8.407 9.990 1.00 31.43 C ATOM 1120 C GLN A 635 -12.740 8.287 8.878 1.00 3.22 C ATOM 1121 O GLN A 635 -12.186 9.288 8.425 1.00 62.33 O ATOM 1122 CB GLN A 635 -13.084 8.698 11.322 1.00 25.01 C ATOM 1123 CG GLN A 635 -12.206 7.558 11.812 1.00 73.34 C ATOM 1124 CD GLN A 635 -11.337 7.955 12.990 1.00 31.34 C ATOM 1125 OE1 GLN A 635 -11.411 9.083 13.476 1.00 14.44 O ATOM 1126 NE2 GLN A 635 -10.509 7.028 13.454 1.00 72.21 N ATOM 0 H GLN A 635 -14.459 6.679 10.963 1.00 60.31 H new ATOM 0 HA GLN A 635 -14.448 9.233 9.750 1.00 31.43 H new ATOM 0 HB2 GLN A 635 -12.474 9.595 11.216 1.00 25.01 H new ATOM 0 HB3 GLN A 635 -13.840 8.913 12.077 1.00 25.01 H new ATOM 0 HG2 GLN A 635 -12.836 6.716 12.098 1.00 73.34 H new ATOM 0 HG3 GLN A 635 -11.570 7.217 10.995 1.00 73.34 H new ATOM 0 HE21 GLN A 635 -10.481 6.105 13.020 1.00 72.21 H new ATOM 0 HE22 GLN A 635 -9.900 7.238 14.245 1.00 72.21 H new ATOM 1133 N GLN A 636 -12.482 7.057 8.446 1.00 10.15 N ATOM 1134 CA GLN A 636 -11.509 6.808 7.389 1.00 4.12 C ATOM 1135 C GLN A 636 -12.129 7.036 6.014 1.00 2.45 C ATOM 1136 O GLN A 636 -11.450 7.461 5.079 1.00 13.42 O ATOM 1137 CB GLN A 636 -10.973 5.378 7.488 1.00 20.13 C ATOM 1138 CG GLN A 636 -10.019 5.166 8.652 1.00 30.32 C ATOM 1139 CD GLN A 636 -8.578 5.465 8.287 1.00 41.41 C ATOM 1140 OE1 GLN A 636 -8.305 6.284 7.410 1.00 61.44 O ATOM 1141 NE2 GLN A 636 -7.646 4.802 8.963 1.00 25.14 N ATOM 0 H GLN A 636 -12.933 6.218 8.811 1.00 10.15 H new ATOM 0 HA GLN A 636 -10.684 7.509 7.516 1.00 4.12 H new ATOM 0 HB2 GLN A 636 -11.813 4.690 7.587 1.00 20.13 H new ATOM 0 HB3 GLN A 636 -10.462 5.125 6.559 1.00 20.13 H new ATOM 0 HG2 GLN A 636 -10.319 5.804 9.484 1.00 30.32 H new ATOM 0 HG3 GLN A 636 -10.096 4.135 8.997 1.00 30.32 H new ATOM 0 HE21 GLN A 636 -7.918 4.132 9.682 1.00 25.14 H new ATOM 0 HE22 GLN A 636 -6.659 4.963 8.763 1.00 25.14 H new ATOM 1148 N ARG A 637 -13.423 6.753 5.898 1.00 51.12 N ATOM 1149 CA ARG A 637 -14.132 6.926 4.637 1.00 5.43 C ATOM 1150 C ARG A 637 -14.594 8.371 4.467 1.00 52.13 C ATOM 1151 O ARG A 637 -14.857 9.068 5.447 1.00 53.22 O ATOM 1152 CB ARG A 637 -15.338 5.985 4.572 1.00 54.35 C ATOM 1153 CG ARG A 637 -15.827 5.720 3.157 1.00 54.42 C ATOM 1154 CD ARG A 637 -16.492 4.358 3.045 1.00 70.44 C ATOM 1155 NE ARG A 637 -16.382 3.805 1.697 1.00 24.10 N ATOM 1156 CZ ARG A 637 -17.078 2.755 1.274 1.00 34.14 C ATOM 1157 NH1 ARG A 637 -17.930 2.149 2.089 1.00 51.03 N ATOM 1158 NH2 ARG A 637 -16.923 2.312 0.034 1.00 21.52 N ATOM 0 H ARG A 637 -14.001 6.403 6.662 1.00 51.12 H new ATOM 0 HA ARG A 637 -13.445 6.683 3.827 1.00 5.43 H new ATOM 0 HB2 ARG A 637 -15.074 5.037 5.040 1.00 54.35 H new ATOM 0 HB3 ARG A 637 -16.154 6.412 5.155 1.00 54.35 H new ATOM 0 HG2 ARG A 637 -16.533 6.496 2.863 1.00 54.42 H new ATOM 0 HG3 ARG A 637 -14.987 5.774 2.464 1.00 54.42 H new ATOM 0 HD2 ARG A 637 -16.034 3.671 3.757 1.00 70.44 H new ATOM 0 HD3 ARG A 637 -17.544 4.445 3.317 1.00 70.44 H new ATOM 0 HE ARG A 637 -15.736 4.249 1.045 1.00 24.10 H new ATOM 0 HH11 ARG A 637 -18.052 2.489 3.043 1.00 51.03 H new ATOM 0 HH12 ARG A 637 -18.463 1.343 1.762 1.00 51.03 H new ATOM 0 HH21 ARG A 637 -16.269 2.777 -0.596 1.00 21.52 H new ATOM 0 HH22 ARG A 637 -17.457 1.506 -0.290 1.00 21.52 H new ATOM 1169 N ARG A 638 -14.689 8.814 3.218 1.00 73.15 N ATOM 1170 CA ARG A 638 -15.116 10.175 2.920 1.00 12.50 C ATOM 1171 C ARG A 638 -14.119 11.190 3.473 1.00 13.24 C ATOM 1172 O ARG A 638 -14.159 11.536 4.653 1.00 63.21 O ATOM 1173 CB ARG A 638 -16.505 10.437 3.506 1.00 62.13 C ATOM 1174 CG ARG A 638 -17.234 11.597 2.848 1.00 21.12 C ATOM 1175 CD ARG A 638 -18.438 11.118 2.051 1.00 52.25 C ATOM 1176 NE ARG A 638 -19.360 10.335 2.869 1.00 71.12 N ATOM 1177 CZ ARG A 638 -20.242 9.478 2.366 1.00 4.21 C ATOM 1178 NH1 ARG A 638 -20.319 9.294 1.056 1.00 23.35 N ATOM 1179 NH2 ARG A 638 -21.048 8.803 3.176 1.00 63.53 N ATOM 0 H ARG A 638 -14.476 8.250 2.396 1.00 73.15 H new ATOM 0 HA ARG A 638 -15.160 10.287 1.837 1.00 12.50 H new ATOM 0 HB2 ARG A 638 -17.109 9.535 3.405 1.00 62.13 H new ATOM 0 HB3 ARG A 638 -16.408 10.638 4.573 1.00 62.13 H new ATOM 0 HG2 ARG A 638 -17.559 12.304 3.611 1.00 21.12 H new ATOM 0 HG3 ARG A 638 -16.550 12.132 2.189 1.00 21.12 H new ATOM 0 HD2 ARG A 638 -18.963 11.978 1.636 1.00 52.25 H new ATOM 0 HD3 ARG A 638 -18.099 10.515 1.209 1.00 52.25 H new ATOM 0 HE ARG A 638 -19.325 10.452 3.882 1.00 71.12 H new ATOM 0 HH11 ARG A 638 -19.700 9.811 0.431 1.00 23.35 H new ATOM 0 HH12 ARG A 638 -20.997 8.635 0.672 1.00 23.35 H new ATOM 0 HH21 ARG A 638 -20.990 8.942 4.185 1.00 63.53 H new ATOM 0 HH22 ARG A 638 -21.725 8.145 2.790 1.00 63.53 H new ATOM 1190 N GLY A 639 -13.226 11.665 2.610 1.00 53.30 N ATOM 1191 CA GLY A 639 -12.232 12.635 3.030 1.00 35.33 C ATOM 1192 C GLY A 639 -11.161 12.859 1.982 1.00 75.40 C ATOM 1193 O GLY A 639 -11.467 13.067 0.808 1.00 71.53 O ATOM 0 H GLY A 639 -13.173 11.395 1.628 1.00 53.30 H new ATOM 0 HA2 GLY A 639 -12.724 13.582 3.250 1.00 35.33 H new ATOM 0 HA3 GLY A 639 -11.766 12.295 3.955 1.00 35.33 H new ATOM 1197 N GLU A 640 -9.902 12.819 2.406 1.00 33.12 N ATOM 1198 CA GLU A 640 -8.781 13.022 1.494 1.00 4.02 C ATOM 1199 C GLU A 640 -8.891 12.097 0.285 1.00 33.21 C ATOM 1200 O GLU A 640 -9.586 11.082 0.308 1.00 23.21 O ATOM 1201 CB GLU A 640 -7.455 12.778 2.218 1.00 22.15 C ATOM 1202 CG GLU A 640 -6.930 14.000 2.951 1.00 70.24 C ATOM 1203 CD GLU A 640 -6.099 14.903 2.060 1.00 52.51 C ATOM 1204 OE1 GLU A 640 -6.689 15.740 1.347 1.00 32.04 O ATOM 1205 OE2 GLU A 640 -4.857 14.772 2.078 1.00 32.22 O ATOM 0 H GLU A 640 -9.632 12.648 3.375 1.00 33.12 H new ATOM 0 HA GLU A 640 -8.811 14.054 1.145 1.00 4.02 H new ATOM 0 HB2 GLU A 640 -7.584 11.964 2.931 1.00 22.15 H new ATOM 0 HB3 GLU A 640 -6.709 12.451 1.493 1.00 22.15 H new ATOM 0 HG2 GLU A 640 -7.770 14.566 3.353 1.00 70.24 H new ATOM 0 HG3 GLU A 640 -6.327 13.678 3.800 1.00 70.24 H new ATOM 1210 N PRO A 641 -8.188 12.457 -0.800 1.00 12.11 N ATOM 1211 CA PRO A 641 -8.190 11.675 -2.040 1.00 72.24 C ATOM 1212 C PRO A 641 -7.458 10.345 -1.886 1.00 32.34 C ATOM 1213 O PRO A 641 -6.270 10.312 -1.567 1.00 42.43 O ATOM 1214 CB PRO A 641 -7.453 12.580 -3.031 1.00 24.42 C ATOM 1215 CG PRO A 641 -6.584 13.442 -2.183 1.00 41.21 C ATOM 1216 CD PRO A 641 -7.338 13.655 -0.899 1.00 13.34 C ATOM 0 HA PRO A 641 -9.199 11.410 -2.354 1.00 72.24 H new ATOM 0 HB2 PRO A 641 -6.863 11.996 -3.737 1.00 24.42 H new ATOM 0 HB3 PRO A 641 -8.152 13.177 -3.617 1.00 24.42 H new ATOM 0 HG2 PRO A 641 -5.623 12.963 -1.996 1.00 41.21 H new ATOM 0 HG3 PRO A 641 -6.377 14.392 -2.676 1.00 41.21 H new ATOM 0 HD2 PRO A 641 -6.664 13.741 -0.047 1.00 13.34 H new ATOM 0 HD3 PRO A 641 -7.932 14.568 -0.929 1.00 13.34 H new ATOM 1221 N VAL A 642 -8.176 9.251 -2.118 1.00 71.12 N ATOM 1222 CA VAL A 642 -7.595 7.918 -2.007 1.00 12.21 C ATOM 1223 C VAL A 642 -7.983 7.049 -3.198 1.00 21.12 C ATOM 1224 O VAL A 642 -9.151 6.962 -3.580 1.00 75.44 O ATOM 1225 CB VAL A 642 -8.037 7.219 -0.708 1.00 24.20 C ATOM 1226 CG1 VAL A 642 -9.536 7.374 -0.503 1.00 23.12 C ATOM 1227 CG2 VAL A 642 -7.644 5.749 -0.734 1.00 35.13 C ATOM 0 H VAL A 642 -9.161 9.261 -2.384 1.00 71.12 H new ATOM 0 HA VAL A 642 -6.512 8.045 -1.991 1.00 12.21 H new ATOM 0 HB VAL A 642 -7.528 7.693 0.131 1.00 24.20 H new ATOM 0 HG11 VAL A 642 -9.831 6.874 0.420 1.00 23.12 H new ATOM 0 HG12 VAL A 642 -9.787 8.433 -0.438 1.00 23.12 H new ATOM 0 HG13 VAL A 642 -10.066 6.927 -1.344 1.00 23.12 H new ATOM 0 HG21 VAL A 642 -7.964 5.270 0.192 1.00 35.13 H new ATOM 0 HG22 VAL A 642 -8.124 5.259 -1.581 1.00 35.13 H new ATOM 0 HG23 VAL A 642 -6.562 5.663 -0.831 1.00 35.13 H new ATOM 1237 N PRO A 643 -6.982 6.388 -3.800 1.00 3.43 N ATOM 1238 CA PRO A 643 -7.195 5.512 -4.955 1.00 22.31 C ATOM 1239 C PRO A 643 -7.946 4.238 -4.586 1.00 62.21 C ATOM 1240 O PRO A 643 -7.567 3.532 -3.652 1.00 54.03 O ATOM 1241 CB PRO A 643 -5.773 5.182 -5.416 1.00 4.30 C ATOM 1242 CG PRO A 643 -4.933 5.341 -4.195 1.00 63.42 C ATOM 1243 CD PRO A 643 -5.568 6.446 -3.398 1.00 51.24 C ATOM 0 HA PRO A 643 -7.806 5.989 -5.721 1.00 22.31 H new ATOM 0 HB2 PRO A 643 -5.710 4.168 -5.811 1.00 4.30 H new ATOM 0 HB3 PRO A 643 -5.448 5.854 -6.210 1.00 4.30 H new ATOM 0 HG2 PRO A 643 -4.899 4.415 -3.621 1.00 63.42 H new ATOM 0 HG3 PRO A 643 -3.905 5.590 -4.458 1.00 63.42 H new ATOM 0 HD2 PRO A 643 -5.448 6.288 -2.326 1.00 51.24 H new ATOM 0 HD3 PRO A 643 -5.124 7.414 -3.629 1.00 51.24 H new ATOM 1248 N GLN A 644 -9.010 3.948 -5.326 1.00 23.25 N ATOM 1249 CA GLN A 644 -9.814 2.757 -5.076 1.00 22.21 C ATOM 1250 C GLN A 644 -9.103 1.505 -5.580 1.00 65.30 C ATOM 1251 O GLN A 644 -9.424 0.389 -5.170 1.00 51.42 O ATOM 1252 CB GLN A 644 -11.182 2.887 -5.749 1.00 2.20 C ATOM 1253 CG GLN A 644 -12.220 1.917 -5.209 1.00 73.32 C ATOM 1254 CD GLN A 644 -13.261 1.541 -6.245 1.00 1.21 C ATOM 1255 OE1 GLN A 644 -12.933 1.260 -7.399 1.00 2.55 O ATOM 1256 NE2 GLN A 644 -14.525 1.533 -5.838 1.00 71.22 N ATOM 0 H GLN A 644 -9.336 4.521 -6.104 1.00 23.25 H new ATOM 0 HA GLN A 644 -9.955 2.665 -3.999 1.00 22.21 H new ATOM 0 HB2 GLN A 644 -11.546 3.906 -5.619 1.00 2.20 H new ATOM 0 HB3 GLN A 644 -11.067 2.724 -6.821 1.00 2.20 H new ATOM 0 HG2 GLN A 644 -11.720 1.014 -4.857 1.00 73.32 H new ATOM 0 HG3 GLN A 644 -12.715 2.364 -4.347 1.00 73.32 H new ATOM 0 HE21 GLN A 644 -14.751 1.772 -4.873 1.00 71.22 H new ATOM 0 HE22 GLN A 644 -15.269 1.287 -6.491 1.00 71.22 H new ATOM 1263 N ASP A 645 -8.138 1.697 -6.473 1.00 5.50 N ATOM 1264 CA ASP A 645 -7.381 0.584 -7.033 1.00 5.41 C ATOM 1265 C ASP A 645 -6.451 -0.022 -5.986 1.00 25.42 C ATOM 1266 O ASP A 645 -6.280 -1.240 -5.923 1.00 22.34 O ATOM 1267 CB ASP A 645 -6.573 1.047 -8.245 1.00 54.21 C ATOM 1268 CG ASP A 645 -6.275 -0.084 -9.209 1.00 25.14 C ATOM 1269 OD1 ASP A 645 -7.118 -0.348 -10.091 1.00 4.21 O ATOM 1270 OD2 ASP A 645 -5.199 -0.705 -9.082 1.00 31.23 O ATOM 0 H ASP A 645 -7.862 2.614 -6.825 1.00 5.50 H new ATOM 0 HA ASP A 645 -8.089 -0.182 -7.350 1.00 5.41 H new ATOM 0 HB2 ASP A 645 -7.123 1.830 -8.767 1.00 54.21 H new ATOM 0 HB3 ASP A 645 -5.636 1.488 -7.906 1.00 54.21 H new ATOM 1274 N LEU A 646 -5.853 0.835 -5.167 1.00 61.21 N ATOM 1275 CA LEU A 646 -4.939 0.385 -4.123 1.00 45.11 C ATOM 1276 C LEU A 646 -5.706 -0.225 -2.954 1.00 41.00 C ATOM 1277 O LEU A 646 -5.350 -1.293 -2.453 1.00 72.53 O ATOM 1278 CB LEU A 646 -4.080 1.552 -3.632 1.00 64.23 C ATOM 1279 CG LEU A 646 -3.453 2.427 -4.717 1.00 23.51 C ATOM 1280 CD1 LEU A 646 -2.424 3.370 -4.114 1.00 4.43 C ATOM 1281 CD2 LEU A 646 -2.819 1.564 -5.799 1.00 53.33 C ATOM 0 H LEU A 646 -5.984 1.846 -5.205 1.00 61.21 H new ATOM 0 HA LEU A 646 -4.291 -0.382 -4.547 1.00 45.11 H new ATOM 0 HB2 LEU A 646 -4.695 2.186 -2.993 1.00 64.23 H new ATOM 0 HB3 LEU A 646 -3.280 1.151 -3.009 1.00 64.23 H new ATOM 0 HG LEU A 646 -4.241 3.026 -5.174 1.00 23.51 H new ATOM 0 HD11 LEU A 646 -1.988 3.985 -4.902 1.00 4.43 H new ATOM 0 HD12 LEU A 646 -2.907 4.012 -3.377 1.00 4.43 H new ATOM 0 HD13 LEU A 646 -1.638 2.790 -3.630 1.00 4.43 H new ATOM 0 HD21 LEU A 646 -2.378 2.204 -6.563 1.00 53.33 H new ATOM 0 HD22 LEU A 646 -2.043 0.938 -5.357 1.00 53.33 H new ATOM 0 HD23 LEU A 646 -3.581 0.931 -6.253 1.00 53.33 H new ATOM 1292 N LEU A 647 -6.761 0.459 -2.523 1.00 74.55 N ATOM 1293 CA LEU A 647 -7.579 -0.016 -1.414 1.00 64.22 C ATOM 1294 C LEU A 647 -8.190 -1.378 -1.732 1.00 63.22 C ATOM 1295 O LEU A 647 -8.063 -2.323 -0.953 1.00 4.24 O ATOM 1296 CB LEU A 647 -8.687 0.991 -1.104 1.00 3.43 C ATOM 1297 CG LEU A 647 -8.230 2.343 -0.556 1.00 13.52 C ATOM 1298 CD1 LEU A 647 -9.427 3.177 -0.124 1.00 73.23 C ATOM 1299 CD2 LEU A 647 -7.266 2.149 0.605 1.00 4.41 C ATOM 0 H LEU A 647 -7.069 1.344 -2.925 1.00 74.55 H new ATOM 0 HA LEU A 647 -6.936 -0.121 -0.540 1.00 64.22 H new ATOM 0 HB2 LEU A 647 -9.258 1.165 -2.016 1.00 3.43 H new ATOM 0 HB3 LEU A 647 -9.369 0.541 -0.382 1.00 3.43 H new ATOM 0 HG LEU A 647 -7.709 2.878 -1.350 1.00 13.52 H new ATOM 0 HD11 LEU A 647 -9.082 4.136 0.263 1.00 73.23 H new ATOM 0 HD12 LEU A 647 -10.081 3.345 -0.980 1.00 73.23 H new ATOM 0 HD13 LEU A 647 -9.977 2.648 0.654 1.00 73.23 H new ATOM 0 HD21 LEU A 647 -6.951 3.122 0.983 1.00 4.41 H new ATOM 0 HD22 LEU A 647 -7.762 1.594 1.401 1.00 4.41 H new ATOM 0 HD23 LEU A 647 -6.393 1.592 0.264 1.00 4.41 H new ATOM 1310 N ASP A 648 -8.849 -1.471 -2.882 1.00 50.53 N ATOM 1311 CA ASP A 648 -9.476 -2.718 -3.305 1.00 44.32 C ATOM 1312 C ASP A 648 -8.456 -3.851 -3.351 1.00 11.12 C ATOM 1313 O ASP A 648 -8.694 -4.937 -2.821 1.00 11.03 O ATOM 1314 CB ASP A 648 -10.128 -2.546 -4.678 1.00 44.54 C ATOM 1315 CG ASP A 648 -11.070 -3.683 -5.018 1.00 45.21 C ATOM 1316 OD1 ASP A 648 -12.253 -3.610 -4.625 1.00 4.20 O ATOM 1317 OD2 ASP A 648 -10.625 -4.647 -5.676 1.00 4.44 O ATOM 0 H ASP A 648 -8.963 -0.698 -3.538 1.00 50.53 H new ATOM 0 HA ASP A 648 -10.245 -2.975 -2.576 1.00 44.32 H new ATOM 0 HB2 ASP A 648 -10.677 -1.604 -4.701 1.00 44.54 H new ATOM 0 HB3 ASP A 648 -9.351 -2.481 -5.440 1.00 44.54 H new ATOM 1321 N ARG A 649 -7.319 -3.591 -3.988 1.00 72.31 N ATOM 1322 CA ARG A 649 -6.263 -4.591 -4.105 1.00 13.35 C ATOM 1323 C ARG A 649 -5.681 -4.929 -2.737 1.00 54.44 C ATOM 1324 O ARG A 649 -5.195 -6.038 -2.514 1.00 41.15 O ATOM 1325 CB ARG A 649 -5.155 -4.086 -5.033 1.00 42.32 C ATOM 1326 CG ARG A 649 -5.544 -4.085 -6.502 1.00 13.00 C ATOM 1327 CD ARG A 649 -5.457 -5.479 -7.102 1.00 0.44 C ATOM 1328 NE ARG A 649 -4.078 -5.871 -7.378 1.00 51.33 N ATOM 1329 CZ ARG A 649 -3.384 -5.434 -8.424 1.00 51.51 C ATOM 1330 NH1 ARG A 649 -3.940 -4.594 -9.287 1.00 53.04 N ATOM 1331 NH2 ARG A 649 -2.133 -5.836 -8.607 1.00 45.14 N ATOM 0 H ARG A 649 -7.105 -2.697 -4.431 1.00 72.31 H new ATOM 0 HA ARG A 649 -6.698 -5.496 -4.529 1.00 13.35 H new ATOM 0 HB2 ARG A 649 -4.879 -3.073 -4.738 1.00 42.32 H new ATOM 0 HB3 ARG A 649 -4.270 -4.709 -4.901 1.00 42.32 H new ATOM 0 HG2 ARG A 649 -6.559 -3.704 -6.610 1.00 13.00 H new ATOM 0 HG3 ARG A 649 -4.889 -3.409 -7.052 1.00 13.00 H new ATOM 0 HD2 ARG A 649 -5.908 -6.197 -6.417 1.00 0.44 H new ATOM 0 HD3 ARG A 649 -6.035 -5.513 -8.025 1.00 0.44 H new ATOM 0 HE ARG A 649 -3.622 -6.516 -6.733 1.00 51.33 H new ATOM 0 HH11 ARG A 649 -4.901 -4.283 -9.148 1.00 53.04 H new ATOM 0 HH12 ARG A 649 -3.406 -4.259 -10.089 1.00 53.04 H new ATOM 0 HH21 ARG A 649 -1.703 -6.481 -7.945 1.00 45.14 H new ATOM 0 HH22 ARG A 649 -1.602 -5.500 -9.410 1.00 45.14 H new ATOM 1342 N VAL A 650 -5.732 -3.966 -1.822 1.00 30.35 N ATOM 1343 CA VAL A 650 -5.211 -4.161 -0.475 1.00 22.04 C ATOM 1344 C VAL A 650 -6.081 -5.133 0.315 1.00 73.12 C ATOM 1345 O VAL A 650 -5.575 -6.053 0.960 1.00 20.32 O ATOM 1346 CB VAL A 650 -5.123 -2.828 0.292 1.00 41.14 C ATOM 1347 CG1 VAL A 650 -5.562 -3.014 1.737 1.00 14.23 C ATOM 1348 CG2 VAL A 650 -3.711 -2.267 0.224 1.00 74.10 C ATOM 0 H VAL A 650 -6.130 -3.042 -1.990 1.00 30.35 H new ATOM 0 HA VAL A 650 -4.209 -4.577 -0.580 1.00 22.04 H new ATOM 0 HB VAL A 650 -5.797 -2.112 -0.179 1.00 41.14 H new ATOM 0 HG11 VAL A 650 -5.493 -2.062 2.264 1.00 14.23 H new ATOM 0 HG12 VAL A 650 -6.592 -3.369 1.761 1.00 14.23 H new ATOM 0 HG13 VAL A 650 -4.915 -3.745 2.223 1.00 14.23 H new ATOM 0 HG21 VAL A 650 -3.667 -1.325 0.771 1.00 74.10 H new ATOM 0 HG22 VAL A 650 -3.015 -2.978 0.669 1.00 74.10 H new ATOM 0 HG23 VAL A 650 -3.438 -2.095 -0.817 1.00 74.10 H new ATOM 1358 N LEU A 651 -7.391 -4.924 0.260 1.00 44.44 N ATOM 1359 CA LEU A 651 -8.333 -5.783 0.971 1.00 52.33 C ATOM 1360 C LEU A 651 -8.447 -7.144 0.292 1.00 2.14 C ATOM 1361 O LEU A 651 -8.782 -8.141 0.932 1.00 13.52 O ATOM 1362 CB LEU A 651 -9.708 -5.117 1.039 1.00 21.21 C ATOM 1363 CG LEU A 651 -9.891 -4.064 2.133 1.00 31.33 C ATOM 1364 CD1 LEU A 651 -11.227 -3.354 1.972 1.00 43.01 C ATOM 1365 CD2 LEU A 651 -9.786 -4.701 3.511 1.00 31.32 C ATOM 0 H LEU A 651 -7.826 -4.168 -0.269 1.00 44.44 H new ATOM 0 HA LEU A 651 -7.958 -5.933 1.984 1.00 52.33 H new ATOM 0 HB2 LEU A 651 -9.911 -4.650 0.075 1.00 21.21 H new ATOM 0 HB3 LEU A 651 -10.459 -5.894 1.181 1.00 21.21 H new ATOM 0 HG LEU A 651 -9.096 -3.325 2.036 1.00 31.33 H new ATOM 0 HD11 LEU A 651 -11.340 -2.608 2.759 1.00 43.01 H new ATOM 0 HD12 LEU A 651 -11.263 -2.863 0.999 1.00 43.01 H new ATOM 0 HD13 LEU A 651 -12.036 -4.081 2.042 1.00 43.01 H new ATOM 0 HD21 LEU A 651 -9.919 -3.936 4.276 1.00 31.32 H new ATOM 0 HD22 LEU A 651 -10.559 -5.462 3.620 1.00 31.32 H new ATOM 0 HD23 LEU A 651 -8.805 -5.162 3.625 1.00 31.32 H new ATOM 1376 N ALA A 652 -8.166 -7.177 -1.006 1.00 60.44 N ATOM 1377 CA ALA A 652 -8.233 -8.417 -1.770 1.00 73.32 C ATOM 1378 C ALA A 652 -7.153 -9.396 -1.323 1.00 62.42 C ATOM 1379 O ALA A 652 -7.441 -10.550 -1.004 1.00 35.23 O ATOM 1380 CB ALA A 652 -8.103 -8.127 -3.258 1.00 71.40 C ATOM 0 H ALA A 652 -7.890 -6.360 -1.551 1.00 60.44 H new ATOM 0 HA ALA A 652 -9.203 -8.878 -1.584 1.00 73.32 H new ATOM 0 HB1 ALA A 652 -8.155 -9.062 -3.817 1.00 71.40 H new ATOM 0 HB2 ALA A 652 -8.914 -7.471 -3.573 1.00 71.40 H new ATOM 0 HB3 ALA A 652 -7.147 -7.641 -3.452 1.00 71.40 H new ATOM 1386 N ALA A 653 -5.909 -8.929 -1.303 1.00 63.52 N ATOM 1387 CA ALA A 653 -4.786 -9.764 -0.894 1.00 64.50 C ATOM 1388 C ALA A 653 -4.855 -10.086 0.595 1.00 41.42 C ATOM 1389 O ALA A 653 -4.799 -11.251 0.992 1.00 3.53 O ATOM 1390 CB ALA A 653 -3.469 -9.079 -1.227 1.00 2.33 C ATOM 0 H ALA A 653 -5.653 -7.977 -1.565 1.00 63.52 H new ATOM 0 HA ALA A 653 -4.844 -10.702 -1.445 1.00 64.50 H new ATOM 0 HB1 ALA A 653 -2.640 -9.714 -0.916 1.00 2.33 H new ATOM 0 HB2 ALA A 653 -3.410 -8.906 -2.302 1.00 2.33 H new ATOM 0 HB3 ALA A 653 -3.412 -8.125 -0.702 1.00 2.33 H new ATOM 1396 N HIS A 654 -4.975 -9.047 1.416 1.00 30.13 N ATOM 1397 CA HIS A 654 -5.051 -9.220 2.862 1.00 53.22 C ATOM 1398 C HIS A 654 -6.174 -10.182 3.235 1.00 4.41 C ATOM 1399 O HIS A 654 -6.090 -10.888 4.240 1.00 62.43 O ATOM 1400 CB HIS A 654 -5.270 -7.870 3.547 1.00 45.01 C ATOM 1401 CG HIS A 654 -4.134 -6.912 3.362 1.00 30.03 C ATOM 1402 ND1 HIS A 654 -4.241 -5.561 3.614 1.00 41.23 N ATOM 1403 CD2 HIS A 654 -2.863 -7.117 2.948 1.00 75.54 C ATOM 1404 CE1 HIS A 654 -3.083 -4.976 3.361 1.00 43.41 C ATOM 1405 NE2 HIS A 654 -2.229 -5.898 2.957 1.00 24.22 N ATOM 0 H HIS A 654 -5.022 -8.077 1.104 1.00 30.13 H new ATOM 0 HA HIS A 654 -4.106 -9.643 3.204 1.00 53.22 H new ATOM 0 HB2 HIS A 654 -6.182 -7.418 3.157 1.00 45.01 H new ATOM 0 HB3 HIS A 654 -5.426 -8.034 4.613 1.00 45.01 H new ATOM 0 HD1 HIS A 654 -5.082 -5.087 3.944 1.00 41.23 H new ATOM 0 HD2 HIS A 654 -2.427 -8.063 2.663 1.00 75.54 H new ATOM 0 HE1 HIS A 654 -2.871 -3.922 3.467 1.00 43.41 H new ATOM 1412 N ALA A 655 -7.224 -10.203 2.422 1.00 25.33 N ATOM 1413 CA ALA A 655 -8.362 -11.080 2.666 1.00 5.23 C ATOM 1414 C ALA A 655 -7.991 -12.540 2.436 1.00 64.13 C ATOM 1415 O ALA A 655 -8.302 -13.407 3.254 1.00 34.45 O ATOM 1416 CB ALA A 655 -9.534 -10.684 1.779 1.00 74.11 C ATOM 0 H ALA A 655 -7.310 -9.622 1.588 1.00 25.33 H new ATOM 0 HA ALA A 655 -8.657 -10.969 3.709 1.00 5.23 H new ATOM 0 HB1 ALA A 655 -10.377 -11.348 1.972 1.00 74.11 H new ATOM 0 HB2 ALA A 655 -9.824 -9.656 1.997 1.00 74.11 H new ATOM 0 HB3 ALA A 655 -9.241 -10.764 0.732 1.00 74.11 H new ATOM 1422 N TYR A 656 -7.325 -12.807 1.317 1.00 44.51 N ATOM 1423 CA TYR A 656 -6.914 -14.164 0.979 1.00 32.52 C ATOM 1424 C TYR A 656 -5.819 -14.653 1.921 1.00 70.02 C ATOM 1425 O TYR A 656 -5.902 -15.753 2.469 1.00 12.44 O ATOM 1426 CB TYR A 656 -6.420 -14.222 -0.468 1.00 21.23 C ATOM 1427 CG TYR A 656 -5.886 -15.578 -0.871 1.00 72.05 C ATOM 1428 CD1 TYR A 656 -6.729 -16.679 -0.967 1.00 55.42 C ATOM 1429 CD2 TYR A 656 -4.538 -15.758 -1.157 1.00 65.31 C ATOM 1430 CE1 TYR A 656 -6.244 -17.919 -1.333 1.00 20.43 C ATOM 1431 CE2 TYR A 656 -4.046 -16.995 -1.526 1.00 73.33 C ATOM 1432 CZ TYR A 656 -4.902 -18.072 -1.613 1.00 51.15 C ATOM 1433 OH TYR A 656 -4.416 -19.307 -1.981 1.00 50.51 O ATOM 0 H TYR A 656 -7.059 -12.102 0.630 1.00 44.51 H new ATOM 0 HA TYR A 656 -7.780 -14.817 1.089 1.00 32.52 H new ATOM 0 HB2 TYR A 656 -7.239 -13.951 -1.134 1.00 21.23 H new ATOM 0 HB3 TYR A 656 -5.637 -13.477 -0.606 1.00 21.23 H new ATOM 0 HD1 TYR A 656 -7.781 -16.563 -0.752 1.00 55.42 H new ATOM 0 HD2 TYR A 656 -3.864 -14.917 -1.090 1.00 65.31 H new ATOM 0 HE1 TYR A 656 -6.912 -18.765 -1.400 1.00 20.43 H new ATOM 0 HE2 TYR A 656 -2.996 -17.118 -1.745 1.00 73.33 H new ATOM 0 HH TYR A 656 -3.452 -19.244 -2.144 1.00 50.51 H new ATOM 1442 N TRP A 657 -4.794 -13.828 2.105 1.00 63.54 N ATOM 1443 CA TRP A 657 -3.681 -14.176 2.982 1.00 0.11 C ATOM 1444 C TRP A 657 -4.170 -14.444 4.401 1.00 41.21 C ATOM 1445 O TRP A 657 -3.712 -15.377 5.060 1.00 74.24 O ATOM 1446 CB TRP A 657 -2.642 -13.054 2.990 1.00 40.01 C ATOM 1447 CG TRP A 657 -1.915 -12.908 1.688 1.00 13.34 C ATOM 1448 CD1 TRP A 657 -1.761 -11.763 0.959 1.00 40.21 C ATOM 1449 CD2 TRP A 657 -1.245 -13.942 0.960 1.00 42.13 C ATOM 1450 NE1 TRP A 657 -1.036 -12.023 -0.178 1.00 24.31 N ATOM 1451 CE2 TRP A 657 -0.707 -13.353 -0.201 1.00 51.15 C ATOM 1452 CE3 TRP A 657 -1.046 -15.308 1.176 1.00 62.34 C ATOM 1453 CZ2 TRP A 657 0.016 -14.084 -1.140 1.00 20.45 C ATOM 1454 CZ3 TRP A 657 -0.329 -16.033 0.243 1.00 43.11 C ATOM 1455 CH2 TRP A 657 0.196 -15.420 -0.903 1.00 20.12 C ATOM 0 H TRP A 657 -4.710 -12.914 1.659 1.00 63.54 H new ATOM 0 HA TRP A 657 -3.219 -15.086 2.599 1.00 0.11 H new ATOM 0 HB2 TRP A 657 -3.136 -12.113 3.229 1.00 40.01 H new ATOM 0 HB3 TRP A 657 -1.918 -13.244 3.783 1.00 40.01 H new ATOM 0 HD1 TRP A 657 -2.152 -10.795 1.236 1.00 40.21 H new ATOM 0 HE1 TRP A 657 -0.783 -11.337 -0.890 1.00 24.31 H new ATOM 0 HE3 TRP A 657 -1.445 -15.789 2.057 1.00 62.34 H new ATOM 0 HZ2 TRP A 657 0.420 -13.613 -2.024 1.00 20.45 H new ATOM 0 HZ3 TRP A 657 -0.171 -17.090 0.400 1.00 43.11 H new ATOM 0 HH2 TRP A 657 0.753 -16.013 -1.613 1.00 20.12 H new ATOM 1465 N SER A 658 -5.103 -13.619 4.867 1.00 62.44 N ATOM 1466 CA SER A 658 -5.651 -13.766 6.211 1.00 35.51 C ATOM 1467 C SER A 658 -6.545 -14.999 6.300 1.00 12.12 C ATOM 1468 O SER A 658 -6.651 -15.624 7.355 1.00 62.31 O ATOM 1469 CB SER A 658 -6.445 -12.516 6.598 1.00 64.14 C ATOM 1470 OG SER A 658 -7.177 -12.729 7.793 1.00 4.30 O ATOM 0 H SER A 658 -5.495 -12.843 4.334 1.00 62.44 H new ATOM 0 HA SER A 658 -4.821 -13.890 6.906 1.00 35.51 H new ATOM 0 HB2 SER A 658 -5.764 -11.675 6.729 1.00 64.14 H new ATOM 0 HB3 SER A 658 -7.128 -12.251 5.791 1.00 64.14 H new ATOM 0 HG SER A 658 -7.675 -11.916 8.021 1.00 4.30 H new ATOM 1475 N GLN A 659 -7.185 -15.340 5.187 1.00 2.21 N ATOM 1476 CA GLN A 659 -8.071 -16.497 5.141 1.00 24.52 C ATOM 1477 C GLN A 659 -7.331 -17.766 5.553 1.00 23.32 C ATOM 1478 O GLN A 659 -7.939 -18.718 6.040 1.00 44.31 O ATOM 1479 CB GLN A 659 -8.652 -16.666 3.736 1.00 32.35 C ATOM 1480 CG GLN A 659 -9.926 -17.495 3.698 1.00 51.35 C ATOM 1481 CD GLN A 659 -9.650 -18.982 3.582 1.00 20.31 C ATOM 1482 OE1 GLN A 659 -9.883 -19.743 4.522 1.00 53.32 O ATOM 1483 NE2 GLN A 659 -9.152 -19.403 2.426 1.00 23.15 N ATOM 0 H GLN A 659 -7.107 -14.832 4.306 1.00 2.21 H new ATOM 0 HA GLN A 659 -8.885 -16.327 5.846 1.00 24.52 H new ATOM 0 HB2 GLN A 659 -8.857 -15.681 3.316 1.00 32.35 H new ATOM 0 HB3 GLN A 659 -7.904 -17.136 3.097 1.00 32.35 H new ATOM 0 HG2 GLN A 659 -10.505 -17.306 4.602 1.00 51.35 H new ATOM 0 HG3 GLN A 659 -10.538 -17.176 2.854 1.00 51.35 H new ATOM 0 HE21 GLN A 659 -8.975 -18.737 1.674 1.00 23.15 H new ATOM 0 HE22 GLN A 659 -8.947 -20.393 2.289 1.00 23.15 H new ATOM 1490 N GLN A 660 -6.018 -17.770 5.353 1.00 65.52 N ATOM 1491 CA GLN A 660 -5.196 -18.923 5.703 1.00 51.14 C ATOM 1492 C GLN A 660 -4.883 -18.935 7.195 1.00 45.43 C ATOM 1493 O GLN A 660 -4.639 -19.990 7.778 1.00 41.24 O ATOM 1494 CB GLN A 660 -3.895 -18.913 4.897 1.00 4.02 C ATOM 1495 CG GLN A 660 -4.029 -19.537 3.518 1.00 1.12 C ATOM 1496 CD GLN A 660 -3.733 -21.024 3.520 1.00 30.41 C ATOM 1497 OE1 GLN A 660 -3.942 -21.710 4.521 1.00 55.35 O ATOM 1498 NE2 GLN A 660 -3.244 -21.531 2.394 1.00 64.31 N ATOM 0 H GLN A 660 -5.500 -16.989 4.951 1.00 65.52 H new ATOM 0 HA GLN A 660 -5.758 -19.825 5.461 1.00 51.14 H new ATOM 0 HB2 GLN A 660 -3.552 -17.884 4.789 1.00 4.02 H new ATOM 0 HB3 GLN A 660 -3.127 -19.448 5.456 1.00 4.02 H new ATOM 0 HG2 GLN A 660 -5.040 -19.372 3.145 1.00 1.12 H new ATOM 0 HG3 GLN A 660 -3.349 -19.036 2.829 1.00 1.12 H new ATOM 0 HE21 GLN A 660 -3.086 -20.926 1.588 1.00 64.31 H new ATOM 0 HE22 GLN A 660 -3.026 -22.526 2.335 1.00 64.31 H new ATOM 1505 N GLN A 661 -4.894 -17.755 7.807 1.00 13.33 N ATOM 1506 CA GLN A 661 -4.610 -17.631 9.232 1.00 35.01 C ATOM 1507 C GLN A 661 -5.818 -18.045 10.065 1.00 42.33 C ATOM 1508 O GLN A 661 -6.898 -18.295 9.531 1.00 73.33 O ATOM 1509 CB GLN A 661 -4.210 -16.193 9.570 1.00 25.21 C ATOM 1510 CG GLN A 661 -2.728 -15.913 9.381 1.00 64.32 C ATOM 1511 CD GLN A 661 -2.394 -14.440 9.497 1.00 13.24 C ATOM 1512 OE1 GLN A 661 -3.284 -13.588 9.523 1.00 71.04 O ATOM 1513 NE2 GLN A 661 -1.105 -14.128 9.568 1.00 63.04 N ATOM 0 H GLN A 661 -5.096 -16.872 7.339 1.00 13.33 H new ATOM 0 HA GLN A 661 -3.781 -18.297 9.472 1.00 35.01 H new ATOM 0 HB2 GLN A 661 -4.783 -15.509 8.944 1.00 25.21 H new ATOM 0 HB3 GLN A 661 -4.482 -15.983 10.604 1.00 25.21 H new ATOM 0 HG2 GLN A 661 -2.159 -16.470 10.125 1.00 64.32 H new ATOM 0 HG3 GLN A 661 -2.415 -16.277 8.402 1.00 64.32 H new ATOM 0 HE21 GLN A 661 -0.400 -14.865 9.543 1.00 63.04 H new ATOM 0 HE22 GLN A 661 -0.820 -13.152 9.647 1.00 63.04 H new ATOM 1520 N GLY A 662 -5.627 -18.115 11.380 1.00 24.43 N ATOM 1521 CA GLY A 662 -6.711 -18.501 12.266 1.00 54.54 C ATOM 1522 C GLY A 662 -7.150 -17.367 13.170 1.00 2.22 C ATOM 1523 O GLY A 662 -7.041 -17.459 14.393 1.00 4.44 O ATOM 0 H GLY A 662 -4.743 -17.912 11.847 1.00 24.43 H new ATOM 0 HA2 GLY A 662 -7.560 -18.838 11.671 1.00 54.54 H new ATOM 0 HA3 GLY A 662 -6.394 -19.347 12.876 1.00 54.54 H new ATOM 1527 N LYS A 663 -7.648 -16.291 12.569 1.00 42.12 N ATOM 1528 CA LYS A 663 -8.106 -15.133 13.327 1.00 43.23 C ATOM 1529 C LYS A 663 -9.413 -14.592 12.758 1.00 51.21 C ATOM 1530 O LYS A 663 -9.750 -14.848 11.602 1.00 73.24 O ATOM 1531 CB LYS A 663 -7.040 -14.035 13.315 1.00 75.04 C ATOM 1532 CG LYS A 663 -6.059 -14.127 14.472 1.00 10.21 C ATOM 1533 CD LYS A 663 -4.865 -14.999 14.124 1.00 63.52 C ATOM 1534 CE LYS A 663 -3.817 -14.223 13.342 1.00 20.21 C ATOM 1535 NZ LYS A 663 -2.529 -14.967 13.252 1.00 33.54 N ATOM 0 H LYS A 663 -7.745 -16.197 11.558 1.00 42.12 H new ATOM 0 HA LYS A 663 -8.281 -15.450 14.355 1.00 43.23 H new ATOM 0 HB2 LYS A 663 -6.488 -14.086 12.377 1.00 75.04 H new ATOM 0 HB3 LYS A 663 -7.532 -13.063 13.343 1.00 75.04 H new ATOM 0 HG2 LYS A 663 -5.715 -13.128 14.739 1.00 10.21 H new ATOM 0 HG3 LYS A 663 -6.565 -14.534 15.347 1.00 10.21 H new ATOM 0 HD2 LYS A 663 -4.421 -15.392 15.039 1.00 63.52 H new ATOM 0 HD3 LYS A 663 -5.197 -15.856 13.538 1.00 63.52 H new ATOM 0 HE2 LYS A 663 -4.190 -14.019 12.338 1.00 20.21 H new ATOM 0 HE3 LYS A 663 -3.647 -13.259 13.821 1.00 20.21 H new ATOM 0 HZ1 LYS A 663 -1.841 -14.405 12.712 1.00 33.54 H new ATOM 0 HZ2 LYS A 663 -2.160 -15.139 14.209 1.00 33.54 H new ATOM 0 HZ3 LYS A 663 -2.686 -15.876 12.773 1.00 33.54 H new ATOM 1545 N GLN A 664 -10.144 -13.842 13.576 1.00 25.21 N ATOM 1546 CA GLN A 664 -11.415 -13.265 13.153 1.00 31.20 C ATOM 1547 C GLN A 664 -11.701 -11.969 13.903 1.00 63.13 C ATOM 1548 O GLN A 664 -11.368 -11.834 15.081 1.00 64.30 O ATOM 1549 CB GLN A 664 -12.553 -14.262 13.379 1.00 32.10 C ATOM 1550 CG GLN A 664 -12.934 -14.428 14.842 1.00 73.54 C ATOM 1551 CD GLN A 664 -13.989 -15.497 15.052 1.00 12.54 C ATOM 1552 OE1 GLN A 664 -13.701 -16.576 15.569 1.00 70.34 O ATOM 1553 NE2 GLN A 664 -15.220 -15.201 14.652 1.00 15.14 N ATOM 0 H GLN A 664 -9.878 -13.620 14.535 1.00 25.21 H new ATOM 0 HA GLN A 664 -11.346 -13.039 12.089 1.00 31.20 H new ATOM 0 HB2 GLN A 664 -13.429 -13.934 12.819 1.00 32.10 H new ATOM 0 HB3 GLN A 664 -12.261 -15.232 12.976 1.00 32.10 H new ATOM 0 HG2 GLN A 664 -12.045 -14.682 15.419 1.00 73.54 H new ATOM 0 HG3 GLN A 664 -13.303 -13.478 15.228 1.00 73.54 H new ATOM 0 HE21 GLN A 664 -15.414 -14.294 14.228 1.00 15.14 H new ATOM 0 HE22 GLN A 664 -15.971 -15.881 14.769 1.00 15.14 H new ATOM 1560 N HIS A 665 -12.321 -11.016 13.214 1.00 62.43 N ATOM 1561 CA HIS A 665 -12.652 -9.729 13.815 1.00 61.31 C ATOM 1562 C HIS A 665 -14.010 -9.235 13.326 1.00 1.41 C ATOM 1563 O HIS A 665 -14.399 -9.483 12.185 1.00 70.53 O ATOM 1564 CB HIS A 665 -11.573 -8.697 13.490 1.00 62.31 C ATOM 1565 CG HIS A 665 -11.626 -7.480 14.361 1.00 73.30 C ATOM 1566 ND1 HIS A 665 -11.376 -7.514 15.717 1.00 54.10 N ATOM 1567 CD2 HIS A 665 -11.900 -6.188 14.062 1.00 23.11 C ATOM 1568 CE1 HIS A 665 -11.496 -6.296 16.214 1.00 15.33 C ATOM 1569 NE2 HIS A 665 -11.813 -5.473 15.231 1.00 25.30 N ATOM 0 H HIS A 665 -12.604 -11.111 12.239 1.00 62.43 H new ATOM 0 HA HIS A 665 -12.701 -9.862 14.896 1.00 61.31 H new ATOM 0 HB2 HIS A 665 -10.593 -9.164 13.591 1.00 62.31 H new ATOM 0 HB3 HIS A 665 -11.675 -8.393 12.448 1.00 62.31 H new ATOM 0 HD2 HIS A 665 -12.142 -5.794 13.086 1.00 23.11 H new ATOM 0 HE1 HIS A 665 -11.358 -6.020 17.249 1.00 15.33 H new ATOM 0 HE2 HIS A 665 -11.968 -4.469 15.325 1.00 25.30 H new ATOM 1576 N VAL A 666 -14.728 -8.533 14.198 1.00 61.15 N ATOM 1577 CA VAL A 666 -16.042 -8.004 13.855 1.00 4.22 C ATOM 1578 C VAL A 666 -16.079 -6.488 14.004 1.00 15.43 C ATOM 1579 O VAL A 666 -15.602 -5.940 14.998 1.00 23.24 O ATOM 1580 CB VAL A 666 -17.144 -8.622 14.736 1.00 22.22 C ATOM 1581 CG1 VAL A 666 -17.322 -10.097 14.412 1.00 64.41 C ATOM 1582 CG2 VAL A 666 -16.820 -8.426 16.210 1.00 42.00 C ATOM 0 H VAL A 666 -14.421 -8.318 15.147 1.00 61.15 H new ATOM 0 HA VAL A 666 -16.228 -8.269 12.814 1.00 4.22 H new ATOM 0 HB VAL A 666 -18.084 -8.112 14.523 1.00 22.22 H new ATOM 0 HG11 VAL A 666 -18.105 -10.517 15.044 1.00 64.41 H new ATOM 0 HG12 VAL A 666 -17.603 -10.208 13.365 1.00 64.41 H new ATOM 0 HG13 VAL A 666 -16.386 -10.625 14.594 1.00 64.41 H new ATOM 0 HG21 VAL A 666 -17.609 -8.869 16.818 1.00 42.00 H new ATOM 0 HG22 VAL A 666 -15.870 -8.908 16.441 1.00 42.00 H new ATOM 0 HG23 VAL A 666 -16.748 -7.360 16.428 1.00 42.00 H new ATOM 1592 N GLU A 667 -16.649 -5.814 13.009 1.00 2.11 N ATOM 1593 CA GLU A 667 -16.748 -4.359 13.030 1.00 14.02 C ATOM 1594 C GLU A 667 -18.133 -3.901 12.585 1.00 24.43 C ATOM 1595 O GLU A 667 -18.860 -4.617 11.894 1.00 40.24 O ATOM 1596 CB GLU A 667 -15.679 -3.740 12.126 1.00 22.04 C ATOM 1597 CG GLU A 667 -15.494 -4.478 10.810 1.00 13.32 C ATOM 1598 CD GLU A 667 -14.896 -3.599 9.729 1.00 52.13 C ATOM 1599 OE1 GLU A 667 -13.791 -3.060 9.947 1.00 54.54 O ATOM 1600 OE2 GLU A 667 -15.532 -3.450 8.665 1.00 63.42 O ATOM 0 H GLU A 667 -17.049 -6.252 12.179 1.00 2.11 H new ATOM 0 HA GLU A 667 -16.586 -4.024 14.055 1.00 14.02 H new ATOM 0 HB2 GLU A 667 -15.947 -2.704 11.918 1.00 22.04 H new ATOM 0 HB3 GLU A 667 -14.729 -3.723 12.660 1.00 22.04 H new ATOM 0 HG2 GLU A 667 -14.849 -5.342 10.969 1.00 13.32 H new ATOM 0 HG3 GLU A 667 -16.458 -4.858 10.472 1.00 13.32 H new ATOM 1605 N PRO A 668 -18.511 -2.679 12.989 1.00 60.13 N ATOM 1606 CA PRO A 668 -19.812 -2.098 12.644 1.00 74.02 C ATOM 1607 C PRO A 668 -19.916 -1.747 11.164 1.00 31.31 C ATOM 1608 O PRO A 668 -18.908 -1.679 10.459 1.00 62.01 O ATOM 1609 CB PRO A 668 -19.871 -0.830 13.499 1.00 3.51 C ATOM 1610 CG PRO A 668 -18.447 -0.470 13.743 1.00 12.11 C ATOM 1611 CD PRO A 668 -17.697 -1.771 13.814 1.00 35.30 C ATOM 0 HA PRO A 668 -20.631 -2.793 12.829 1.00 74.02 H new ATOM 0 HB2 PRO A 668 -20.399 -0.028 12.982 1.00 3.51 H new ATOM 0 HB3 PRO A 668 -20.400 -1.008 14.435 1.00 3.51 H new ATOM 0 HG2 PRO A 668 -18.061 0.160 12.941 1.00 12.11 H new ATOM 0 HG3 PRO A 668 -18.340 0.093 14.670 1.00 12.11 H new ATOM 0 HD2 PRO A 668 -16.684 -1.673 13.424 1.00 35.30 H new ATOM 0 HD3 PRO A 668 -17.610 -2.129 14.840 1.00 35.30 H new ATOM 1616 N LEU A 669 -21.140 -1.525 10.698 1.00 21.04 N ATOM 1617 CA LEU A 669 -21.375 -1.181 9.300 1.00 2.51 C ATOM 1618 C LEU A 669 -22.695 -0.432 9.139 1.00 1.14 C ATOM 1619 O LEU A 669 -23.488 -0.340 10.076 1.00 11.32 O ATOM 1620 CB LEU A 669 -21.384 -2.444 8.438 1.00 15.43 C ATOM 1621 CG LEU A 669 -22.063 -3.670 9.049 1.00 13.44 C ATOM 1622 CD1 LEU A 669 -21.148 -4.335 10.065 1.00 50.51 C ATOM 1623 CD2 LEU A 669 -23.386 -3.281 9.693 1.00 55.43 C ATOM 0 H LEU A 669 -21.985 -1.577 11.267 1.00 21.04 H new ATOM 0 HA LEU A 669 -20.566 -0.530 8.970 1.00 2.51 H new ATOM 0 HB2 LEU A 669 -21.879 -2.212 7.495 1.00 15.43 H new ATOM 0 HB3 LEU A 669 -20.353 -2.705 8.201 1.00 15.43 H new ATOM 0 HG LEU A 669 -22.267 -4.385 8.252 1.00 13.44 H new ATOM 0 HD11 LEU A 669 -21.648 -5.206 10.490 1.00 50.51 H new ATOM 0 HD12 LEU A 669 -20.227 -4.649 9.574 1.00 50.51 H new ATOM 0 HD13 LEU A 669 -20.913 -3.628 10.860 1.00 50.51 H new ATOM 0 HD21 LEU A 669 -23.856 -4.166 10.123 1.00 55.43 H new ATOM 0 HD22 LEU A 669 -23.206 -2.548 10.479 1.00 55.43 H new ATOM 0 HD23 LEU A 669 -24.045 -2.851 8.939 1.00 55.43 H new ATOM 1634 N LYS A 670 -22.926 0.100 7.943 1.00 53.44 N ATOM 1635 CA LYS A 670 -24.149 0.837 7.656 1.00 0.54 C ATOM 1636 C LYS A 670 -24.426 0.872 6.156 1.00 74.14 C ATOM 1637 O LYS A 670 -23.512 1.065 5.353 1.00 32.02 O ATOM 1638 CB LYS A 670 -24.049 2.264 8.200 1.00 4.23 C ATOM 1639 CG LYS A 670 -25.391 2.867 8.579 1.00 52.02 C ATOM 1640 CD LYS A 670 -26.051 3.548 7.392 1.00 22.50 C ATOM 1641 CE LYS A 670 -25.630 5.005 7.280 1.00 22.51 C ATOM 1642 NZ LYS A 670 -24.309 5.150 6.609 1.00 33.41 N ATOM 0 H LYS A 670 -22.280 0.034 7.156 1.00 53.44 H new ATOM 0 HA LYS A 670 -24.975 0.324 8.148 1.00 0.54 H new ATOM 0 HB2 LYS A 670 -23.400 2.265 9.075 1.00 4.23 H new ATOM 0 HB3 LYS A 670 -23.575 2.897 7.450 1.00 4.23 H new ATOM 0 HG2 LYS A 670 -26.047 2.085 8.962 1.00 52.02 H new ATOM 0 HG3 LYS A 670 -25.252 3.589 9.383 1.00 52.02 H new ATOM 0 HD2 LYS A 670 -25.787 3.020 6.475 1.00 22.50 H new ATOM 0 HD3 LYS A 670 -27.135 3.488 7.493 1.00 22.50 H new ATOM 0 HE2 LYS A 670 -26.384 5.559 6.721 1.00 22.51 H new ATOM 0 HE3 LYS A 670 -25.582 5.447 8.275 1.00 22.51 H new ATOM 0 HZ1 LYS A 670 -24.248 6.086 6.161 1.00 33.41 H new ATOM 0 HZ2 LYS A 670 -23.550 5.053 7.313 1.00 33.41 H new ATOM 0 HZ3 LYS A 670 -24.205 4.412 5.884 1.00 33.41 H new ATOM 1652 N ILE A 671 -25.687 0.685 5.787 1.00 12.24 N ATOM 1653 CA ILE A 671 -26.082 0.698 4.384 1.00 11.11 C ATOM 1654 C ILE A 671 -25.634 1.984 3.698 1.00 53.11 C ATOM 1655 O ILE A 671 -25.933 3.085 4.163 1.00 72.11 O ATOM 1656 CB ILE A 671 -27.608 0.551 4.227 1.00 74.45 C ATOM 1657 CG1 ILE A 671 -27.996 0.594 2.747 1.00 10.04 C ATOM 1658 CG2 ILE A 671 -28.327 1.644 5.001 1.00 22.12 C ATOM 1659 CD1 ILE A 671 -29.297 -0.114 2.443 1.00 24.32 C ATOM 0 H ILE A 671 -26.454 0.523 6.440 1.00 12.24 H new ATOM 0 HA ILE A 671 -25.592 -0.153 3.911 1.00 11.11 H new ATOM 0 HB ILE A 671 -27.910 -0.414 4.635 1.00 74.45 H new ATOM 0 HG12 ILE A 671 -28.075 1.634 2.431 1.00 10.04 H new ATOM 0 HG13 ILE A 671 -27.199 0.141 2.157 1.00 10.04 H new ATOM 0 HG21 ILE A 671 -29.404 1.527 4.880 1.00 22.12 H new ATOM 0 HG22 ILE A 671 -28.070 1.571 6.058 1.00 22.12 H new ATOM 0 HG23 ILE A 671 -28.023 2.619 4.621 1.00 22.12 H new ATOM 0 HD11 ILE A 671 -29.509 -0.043 1.376 1.00 24.32 H new ATOM 0 HD12 ILE A 671 -29.216 -1.163 2.728 1.00 24.32 H new ATOM 0 HD13 ILE A 671 -30.105 0.353 3.005 1.00 24.32 H new ATOM 1670 N LEU A 672 -24.916 1.838 2.590 1.00 32.44 N ATOM 1671 CA LEU A 672 -24.428 2.988 1.837 1.00 42.14 C ATOM 1672 C LEU A 672 -24.700 2.819 0.346 1.00 75.20 C ATOM 1673 O LEU A 672 -24.834 1.699 -0.147 1.00 21.23 O ATOM 1674 CB LEU A 672 -22.929 3.178 2.076 1.00 52.21 C ATOM 1675 CG LEU A 672 -22.544 3.989 3.315 1.00 72.45 C ATOM 1676 CD1 LEU A 672 -21.044 3.911 3.558 1.00 31.54 C ATOM 1677 CD2 LEU A 672 -22.987 5.436 3.163 1.00 51.43 C ATOM 0 H LEU A 672 -24.659 0.934 2.193 1.00 32.44 H new ATOM 0 HA LEU A 672 -24.961 3.873 2.185 1.00 42.14 H new ATOM 0 HB2 LEU A 672 -22.466 2.194 2.152 1.00 52.21 H new ATOM 0 HB3 LEU A 672 -22.501 3.665 1.200 1.00 52.21 H new ATOM 0 HG LEU A 672 -23.054 3.563 4.179 1.00 72.45 H new ATOM 0 HD11 LEU A 672 -20.788 4.493 4.443 1.00 31.54 H new ATOM 0 HD12 LEU A 672 -20.754 2.872 3.711 1.00 31.54 H new ATOM 0 HD13 LEU A 672 -20.514 4.312 2.694 1.00 31.54 H new ATOM 0 HD21 LEU A 672 -22.705 5.998 4.053 1.00 51.43 H new ATOM 0 HD22 LEU A 672 -22.505 5.874 2.289 1.00 51.43 H new ATOM 0 HD23 LEU A 672 -24.069 5.474 3.037 1.00 51.43 H new ATOM 1688 N ASP A 673 -24.776 3.938 -0.367 1.00 40.33 N ATOM 1689 CA ASP A 673 -25.028 3.913 -1.803 1.00 2.10 C ATOM 1690 C ASP A 673 -23.956 3.108 -2.529 1.00 72.12 C ATOM 1691 O ASP A 673 -22.784 3.140 -2.158 1.00 52.02 O ATOM 1692 CB ASP A 673 -25.077 5.338 -2.357 1.00 25.20 C ATOM 1693 CG ASP A 673 -23.773 6.083 -2.154 1.00 21.22 C ATOM 1694 OD1 ASP A 673 -23.369 6.266 -0.986 1.00 43.35 O ATOM 1695 OD2 ASP A 673 -23.155 6.484 -3.163 1.00 43.35 O ATOM 0 H ASP A 673 -24.667 4.873 0.026 1.00 40.33 H new ATOM 0 HA ASP A 673 -25.992 3.432 -1.970 1.00 2.10 H new ATOM 0 HB2 ASP A 673 -25.310 5.303 -3.421 1.00 25.20 H new ATOM 0 HB3 ASP A 673 -25.885 5.886 -1.871 1.00 25.20 H new ATOM 1699 N ALA A 674 -24.367 2.384 -3.566 1.00 2.24 N ATOM 1700 CA ALA A 674 -23.442 1.571 -4.345 1.00 12.33 C ATOM 1701 C ALA A 674 -23.489 1.948 -5.822 1.00 71.11 C ATOM 1702 O ALA A 674 -24.537 2.332 -6.343 1.00 44.04 O ATOM 1703 CB ALA A 674 -23.758 0.094 -4.165 1.00 70.34 C ATOM 0 H ALA A 674 -25.335 2.345 -3.885 1.00 2.24 H new ATOM 0 HA ALA A 674 -22.433 1.763 -3.980 1.00 12.33 H new ATOM 0 HB1 ALA A 674 -23.059 -0.502 -4.752 1.00 70.34 H new ATOM 0 HB2 ALA A 674 -23.666 -0.172 -3.112 1.00 70.34 H new ATOM 0 HB3 ALA A 674 -24.776 -0.104 -4.501 1.00 70.34 H new ATOM 1709 N LYS A 675 -22.348 1.837 -6.492 1.00 33.32 N ATOM 1710 CA LYS A 675 -22.258 2.166 -7.911 1.00 2.42 C ATOM 1711 C LYS A 675 -20.891 1.787 -8.471 1.00 24.10 C ATOM 1712 O LYS A 675 -19.863 2.023 -7.838 1.00 32.25 O ATOM 1713 CB LYS A 675 -22.513 3.659 -8.126 1.00 22.03 C ATOM 1714 CG LYS A 675 -22.963 4.002 -9.536 1.00 42.14 C ATOM 1715 CD LYS A 675 -21.781 4.300 -10.442 1.00 50.31 C ATOM 1716 CE LYS A 675 -21.351 5.756 -10.336 1.00 40.11 C ATOM 1717 NZ LYS A 675 -19.955 5.958 -10.815 1.00 62.32 N ATOM 0 H LYS A 675 -21.472 1.522 -6.076 1.00 33.32 H new ATOM 0 HA LYS A 675 -23.020 1.594 -8.441 1.00 2.42 H new ATOM 0 HB2 LYS A 675 -23.272 3.995 -7.419 1.00 22.03 H new ATOM 0 HB3 LYS A 675 -21.601 4.211 -7.900 1.00 22.03 H new ATOM 0 HG2 LYS A 675 -23.538 3.172 -9.947 1.00 42.14 H new ATOM 0 HG3 LYS A 675 -23.627 4.866 -9.507 1.00 42.14 H new ATOM 0 HD2 LYS A 675 -20.945 3.652 -10.177 1.00 50.31 H new ATOM 0 HD3 LYS A 675 -22.046 4.072 -11.474 1.00 50.31 H new ATOM 0 HE2 LYS A 675 -22.029 6.378 -10.920 1.00 40.11 H new ATOM 0 HE3 LYS A 675 -21.430 6.084 -9.299 1.00 40.11 H new ATOM 0 HZ1 LYS A 675 -19.700 6.962 -10.727 1.00 62.32 H new ATOM 0 HZ2 LYS A 675 -19.305 5.384 -10.242 1.00 62.32 H new ATOM 0 HZ3 LYS A 675 -19.885 5.669 -11.812 1.00 62.32 H new ATOM 1727 N ALA A 676 -20.888 1.199 -9.663 1.00 14.11 N ATOM 1728 CA ALA A 676 -19.648 0.791 -10.310 1.00 72.00 C ATOM 1729 C ALA A 676 -19.591 1.286 -11.752 1.00 11.44 C ATOM 1730 O ALA A 676 -20.618 1.616 -12.344 1.00 71.11 O ATOM 1731 CB ALA A 676 -19.502 -0.723 -10.264 1.00 70.41 C ATOM 0 H ALA A 676 -21.731 0.995 -10.200 1.00 14.11 H new ATOM 0 HA ALA A 676 -18.818 1.242 -9.766 1.00 72.00 H new ATOM 0 HB1 ALA A 676 -18.571 -1.014 -10.751 1.00 70.41 H new ATOM 0 HB2 ALA A 676 -19.488 -1.056 -9.226 1.00 70.41 H new ATOM 0 HB3 ALA A 676 -20.342 -1.185 -10.782 1.00 70.41 H new ATOM 1737 N GLN A 677 -18.385 1.337 -12.308 1.00 32.45 N ATOM 1738 CA GLN A 677 -18.196 1.794 -13.680 1.00 21.51 C ATOM 1739 C GLN A 677 -17.761 0.644 -14.582 1.00 51.42 C ATOM 1740 O GLN A 677 -16.644 0.137 -14.463 1.00 25.53 O ATOM 1741 CB GLN A 677 -17.158 2.916 -13.727 1.00 20.33 C ATOM 1742 CG GLN A 677 -17.127 3.660 -15.053 1.00 13.20 C ATOM 1743 CD GLN A 677 -16.057 4.733 -15.095 1.00 14.51 C ATOM 1744 OE1 GLN A 677 -15.646 5.258 -14.059 1.00 63.32 O ATOM 1745 NE2 GLN A 677 -15.598 5.065 -16.295 1.00 22.44 N ATOM 0 H GLN A 677 -17.525 1.068 -11.830 1.00 32.45 H new ATOM 0 HA GLN A 677 -19.150 2.176 -14.044 1.00 21.51 H new ATOM 0 HB2 GLN A 677 -17.366 3.626 -12.926 1.00 20.33 H new ATOM 0 HB3 GLN A 677 -16.171 2.496 -13.532 1.00 20.33 H new ATOM 0 HG2 GLN A 677 -16.955 2.948 -15.861 1.00 13.20 H new ATOM 0 HG3 GLN A 677 -18.101 4.116 -15.232 1.00 13.20 H new ATOM 0 HE21 GLN A 677 -15.967 4.605 -17.127 1.00 22.44 H new ATOM 0 HE22 GLN A 677 -14.877 5.780 -16.385 1.00 22.44 H new ATOM 1752 N LYS A 678 -18.647 0.237 -15.483 1.00 23.41 N ATOM 1753 CA LYS A 678 -18.356 -0.854 -16.407 1.00 14.34 C ATOM 1754 C LYS A 678 -17.554 -0.352 -17.603 1.00 73.31 C ATOM 1755 O LYS A 678 -18.122 0.057 -18.616 1.00 12.10 O ATOM 1756 CB LYS A 678 -19.655 -1.505 -16.886 1.00 73.44 C ATOM 1757 CG LYS A 678 -19.435 -2.720 -17.771 1.00 33.12 C ATOM 1758 CD LYS A 678 -20.726 -3.490 -17.992 1.00 41.22 C ATOM 1759 CE LYS A 678 -21.669 -2.744 -18.923 1.00 41.12 C ATOM 1760 NZ LYS A 678 -22.977 -3.442 -19.063 1.00 75.21 N ATOM 0 H LYS A 678 -19.575 0.646 -15.594 1.00 23.41 H new ATOM 0 HA LYS A 678 -17.760 -1.597 -15.878 1.00 14.34 H new ATOM 0 HB2 LYS A 678 -20.245 -1.800 -16.018 1.00 73.44 H new ATOM 0 HB3 LYS A 678 -20.241 -0.767 -17.435 1.00 73.44 H new ATOM 0 HG2 LYS A 678 -19.030 -2.403 -18.732 1.00 33.12 H new ATOM 0 HG3 LYS A 678 -18.693 -3.375 -17.314 1.00 33.12 H new ATOM 0 HD2 LYS A 678 -20.499 -4.470 -18.412 1.00 41.22 H new ATOM 0 HD3 LYS A 678 -21.218 -3.660 -17.034 1.00 41.22 H new ATOM 0 HE2 LYS A 678 -21.834 -1.736 -18.542 1.00 41.12 H new ATOM 0 HE3 LYS A 678 -21.205 -2.642 -19.904 1.00 41.12 H new ATOM 0 HZ1 LYS A 678 -23.592 -2.902 -19.705 1.00 75.21 H new ATOM 0 HZ2 LYS A 678 -22.822 -4.395 -19.451 1.00 75.21 H new ATOM 0 HZ3 LYS A 678 -23.432 -3.517 -18.131 1.00 75.21 H new ATOM 1770 N VAL A 679 -16.231 -0.389 -17.481 1.00 52.31 N ATOM 1771 CA VAL A 679 -15.350 0.059 -18.554 1.00 3.45 C ATOM 1772 C VAL A 679 -15.423 -0.880 -19.753 1.00 4.40 C ATOM 1773 O VAL A 679 -15.574 -2.091 -19.596 1.00 31.51 O ATOM 1774 CB VAL A 679 -13.889 0.155 -18.078 1.00 33.02 C ATOM 1775 CG1 VAL A 679 -13.015 0.770 -19.160 1.00 13.43 C ATOM 1776 CG2 VAL A 679 -13.801 0.958 -16.789 1.00 54.00 C ATOM 0 H VAL A 679 -15.745 -0.725 -16.649 1.00 52.31 H new ATOM 0 HA VAL A 679 -15.692 1.050 -18.851 1.00 3.45 H new ATOM 0 HB VAL A 679 -13.523 -0.852 -17.877 1.00 33.02 H new ATOM 0 HG11 VAL A 679 -11.986 0.830 -18.806 1.00 13.43 H new ATOM 0 HG12 VAL A 679 -13.055 0.150 -20.056 1.00 13.43 H new ATOM 0 HG13 VAL A 679 -13.377 1.771 -19.395 1.00 13.43 H new ATOM 0 HG21 VAL A 679 -12.761 1.016 -16.467 1.00 54.00 H new ATOM 0 HG22 VAL A 679 -14.184 1.964 -16.960 1.00 54.00 H new ATOM 0 HG23 VAL A 679 -14.394 0.470 -16.015 1.00 54.00 H new ATOM 1786 N GLY A 680 -15.315 -0.312 -20.950 1.00 75.33 N ATOM 1787 CA GLY A 680 -15.369 -1.113 -22.159 1.00 44.54 C ATOM 1788 C GLY A 680 -13.992 -1.434 -22.704 1.00 63.31 C ATOM 1789 O GLY A 680 -13.054 -1.669 -21.942 1.00 22.23 O ATOM 0 H GLY A 680 -15.191 0.689 -21.104 1.00 75.33 H new ATOM 0 HA2 GLY A 680 -15.900 -2.042 -21.952 1.00 44.54 H new ATOM 0 HA3 GLY A 680 -15.942 -0.581 -22.918 1.00 44.54 H new ATOM 1793 N ALA A 681 -13.869 -1.447 -24.027 1.00 24.13 N ATOM 1794 CA ALA A 681 -12.597 -1.742 -24.675 1.00 2.30 C ATOM 1795 C ALA A 681 -12.068 -0.524 -25.425 1.00 40.04 C ATOM 1796 O ALA A 681 -12.541 -0.202 -26.515 1.00 35.02 O ATOM 1797 CB ALA A 681 -12.748 -2.924 -25.621 1.00 54.44 C ATOM 0 H ALA A 681 -14.636 -1.256 -24.672 1.00 24.13 H new ATOM 0 HA ALA A 681 -11.874 -2.001 -23.901 1.00 2.30 H new ATOM 0 HB1 ALA A 681 -11.790 -3.133 -26.098 1.00 54.44 H new ATOM 0 HB2 ALA A 681 -13.073 -3.800 -25.060 1.00 54.44 H new ATOM 0 HB3 ALA A 681 -13.489 -2.687 -26.384 1.00 54.44 H new TER 1803 ALA A 681