USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 819 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 700 SER OG : rot 180:sc= 0.596 USER MOD Set 1.2: A 704 LYS NZ :NH3+ -172:sc= 1.95 (180deg=1.15) USER MOD Set 2.1: A 649 GLN : amide:sc= -2.62! K(o=-7.6!,f=-6.3) USER MOD Set 2.2: A 702 MET CE :methyl -119:sc= -4.96! (180deg=-11.6!) USER MOD Single : A 623 SER OG : rot 180:sc= 0.17 USER MOD Single : A 624 GLN : amide:sc= -0.652 K(o=-0.65,f=-1.3) USER MOD Single : A 625 SER OG : rot -132:sc= 1.22 USER MOD Single : A 626 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0093) USER MOD Single : A 630 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 631 ASN : amide:sc= 0 X(o=0,f=0.0013) USER MOD Single : A 633 ASN : amide:sc= -3.46! K(o=-3.5!,f=-1.5) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 SER OG : rot 64:sc= 1.19 USER MOD Single : A 642 ASN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 645 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 646 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.025) USER MOD Single : A 647 ASN : amide:sc= -4.86! C(o=-4.9!,f=-8.3!) USER MOD Single : A 650 SER OG : rot 150:sc= -0.866 USER MOD Single : A 651 LYS NZ :NH3+ 165:sc= -0.0507 (180deg=-0.335) USER MOD Single : A 652 GLN : amide:sc= -0.481 K(o=-0.48,f=-4.6!) USER MOD Single : A 655 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 657 ASN : amide:sc= -4.1! C(o=-4.1!,f=-8.4!) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 660 GLN : amide:sc= -0.0558 K(o=-0.056,f=-0.89) USER MOD Single : A 661 CYS SG : rot 79:sc= -5.49! USER MOD Single : A 663 LYS NZ :NH3+ 151:sc= 1.24 (180deg=-0.296) USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 670 THR OG1 : rot 102:sc= 2.06 USER MOD Single : A 671 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ -174:sc= 1.19 (180deg=0.963) USER MOD Single : A 678 SER OG : rot 180:sc= 0.00474 USER MOD Single : A 679 SER OG : rot 6:sc= 1.12 USER MOD Single : A 687 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 690 LYS NZ :NH3+ 171:sc= 1.16 (180deg=1.12) USER MOD Single : A 692 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 693 LYS NZ :NH3+ 144:sc= -2.07! (180deg=-4.46!) USER MOD Single : A 695 LYS NZ :NH3+ 168:sc=-0.00647 (180deg=-0.166) USER MOD Single : A 699 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 701 TYR OH : rot 165:sc= -0.0127 USER MOD Single : A 708 LYS NZ :NH3+ 164:sc= -0.0337 (180deg=-0.22) USER MOD Single : A 709 LYS NZ :NH3+ 167:sc= 1.71 (180deg=1.49) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 711 GLN : amide:sc= -0.314 K(o=-0.31,f=-2.9!) USER MOD Single : A 712 LYS NZ :NH3+ -165:sc= -0.0138 (180deg=-0.233) USER MOD Single : A 713 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 622 20.113 13.510 -5.041 1.00 1.94 N ATOM 2 CA VAL A 622 20.443 12.098 -5.023 1.00 1.87 C ATOM 3 C VAL A 622 20.323 11.531 -3.608 1.00 1.27 C ATOM 4 O VAL A 622 20.696 12.181 -2.630 1.00 1.84 O ATOM 5 CB VAL A 622 21.865 11.851 -5.575 1.00 2.83 C ATOM 6 CG1 VAL A 622 22.893 12.603 -4.753 1.00 3.22 C ATOM 7 CG2 VAL A 622 22.188 10.363 -5.619 1.00 3.60 C ATOM 0 HA VAL A 622 19.730 11.584 -5.668 1.00 1.87 H new ATOM 0 HB VAL A 622 21.900 12.228 -6.597 1.00 2.83 H new ATOM 0 HG11 VAL A 622 23.888 12.417 -5.157 1.00 3.22 H new ATOM 0 HG12 VAL A 622 22.679 13.671 -4.792 1.00 3.22 H new ATOM 0 HG13 VAL A 622 22.851 12.262 -3.718 1.00 3.22 H new ATOM 0 HG21 VAL A 622 23.195 10.221 -6.012 1.00 3.60 H new ATOM 0 HG22 VAL A 622 22.129 9.948 -4.613 1.00 3.60 H new ATOM 0 HG23 VAL A 622 21.472 9.854 -6.264 1.00 3.60 H new ATOM 17 N SER A 623 19.774 10.332 -3.513 1.00 1.02 N ATOM 18 CA SER A 623 19.631 9.639 -2.245 1.00 1.18 C ATOM 19 C SER A 623 19.437 8.155 -2.503 1.00 1.02 C ATOM 20 O SER A 623 18.583 7.759 -3.297 1.00 0.92 O ATOM 21 CB SER A 623 18.445 10.206 -1.453 1.00 1.71 C ATOM 22 OG SER A 623 18.158 9.411 -0.315 1.00 2.21 O ATOM 0 H SER A 623 19.415 9.812 -4.313 1.00 1.02 H new ATOM 0 HA SER A 623 20.534 9.786 -1.652 1.00 1.18 H new ATOM 0 HB2 SER A 623 18.668 11.226 -1.140 1.00 1.71 H new ATOM 0 HB3 SER A 623 17.566 10.255 -2.096 1.00 1.71 H new ATOM 0 HG SER A 623 17.400 9.797 0.171 1.00 2.21 H new ATOM 28 N GLN A 624 20.261 7.340 -1.856 1.00 1.06 N ATOM 29 CA GLN A 624 20.188 5.894 -2.012 1.00 1.00 C ATOM 30 C GLN A 624 18.881 5.363 -1.443 1.00 0.86 C ATOM 31 O GLN A 624 18.344 4.371 -1.926 1.00 0.81 O ATOM 32 CB GLN A 624 21.385 5.223 -1.336 1.00 1.20 C ATOM 33 CG GLN A 624 22.721 5.694 -1.894 1.00 1.55 C ATOM 34 CD GLN A 624 22.908 5.347 -3.362 1.00 1.93 C ATOM 35 OE1 GLN A 624 23.512 6.108 -4.119 1.00 2.38 O ATOM 36 NE2 GLN A 624 22.418 4.186 -3.772 1.00 2.65 N ATOM 0 H GLN A 624 20.989 7.658 -1.217 1.00 1.06 H new ATOM 0 HA GLN A 624 20.219 5.657 -3.076 1.00 1.00 H new ATOM 0 HB2 GLN A 624 21.352 5.426 -0.266 1.00 1.20 H new ATOM 0 HB3 GLN A 624 21.306 4.143 -1.458 1.00 1.20 H new ATOM 0 HG2 GLN A 624 22.800 6.774 -1.769 1.00 1.55 H new ATOM 0 HG3 GLN A 624 23.528 5.246 -1.315 1.00 1.55 H new ATOM 0 HE21 GLN A 624 21.923 3.581 -3.116 1.00 2.65 H new ATOM 0 HE22 GLN A 624 22.536 3.897 -4.743 1.00 2.65 H new ATOM 45 N SER A 625 18.368 6.044 -0.428 1.00 0.89 N ATOM 46 CA SER A 625 17.094 5.682 0.171 1.00 0.85 C ATOM 47 C SER A 625 15.942 6.124 -0.725 1.00 0.73 C ATOM 48 O SER A 625 14.935 5.431 -0.843 1.00 0.72 O ATOM 49 CB SER A 625 16.966 6.321 1.549 1.00 1.01 C ATOM 50 OG SER A 625 18.122 6.067 2.328 1.00 1.35 O ATOM 0 H SER A 625 18.818 6.854 -0.001 1.00 0.89 H new ATOM 0 HA SER A 625 17.052 4.598 0.279 1.00 0.85 H new ATOM 0 HB2 SER A 625 16.821 7.396 1.445 1.00 1.01 H new ATOM 0 HB3 SER A 625 16.085 5.928 2.057 1.00 1.01 H new ATOM 0 HG SER A 625 17.855 5.754 3.217 1.00 1.35 H new ATOM 56 N GLN A 626 16.105 7.280 -1.363 1.00 0.72 N ATOM 57 CA GLN A 626 15.119 7.765 -2.321 1.00 0.71 C ATOM 58 C GLN A 626 15.099 6.844 -3.536 1.00 0.60 C ATOM 59 O GLN A 626 14.072 6.669 -4.192 1.00 0.65 O ATOM 60 CB GLN A 626 15.449 9.196 -2.747 1.00 0.81 C ATOM 61 CG GLN A 626 14.340 9.873 -3.537 1.00 1.52 C ATOM 62 CD GLN A 626 14.712 11.270 -3.994 1.00 1.83 C ATOM 63 OE1 GLN A 626 13.859 12.151 -4.087 1.00 2.34 O ATOM 64 NE2 GLN A 626 15.984 11.479 -4.294 1.00 2.37 N ATOM 0 H GLN A 626 16.908 7.896 -1.234 1.00 0.72 H new ATOM 0 HA GLN A 626 14.135 7.766 -1.853 1.00 0.71 H new ATOM 0 HB2 GLN A 626 15.663 9.789 -1.858 1.00 0.81 H new ATOM 0 HB3 GLN A 626 16.357 9.185 -3.350 1.00 0.81 H new ATOM 0 HG2 GLN A 626 14.096 9.264 -4.407 1.00 1.52 H new ATOM 0 HG3 GLN A 626 13.441 9.924 -2.922 1.00 1.52 H new ATOM 0 HE21 GLN A 626 16.661 10.721 -4.203 1.00 2.37 H new ATOM 0 HE22 GLN A 626 16.288 12.398 -4.616 1.00 2.37 H new ATOM 73 N ARG A 627 16.254 6.258 -3.828 1.00 0.56 N ATOM 74 CA ARG A 627 16.368 5.271 -4.888 1.00 0.52 C ATOM 75 C ARG A 627 15.723 3.971 -4.428 1.00 0.40 C ATOM 76 O ARG A 627 15.074 3.270 -5.206 1.00 0.40 O ATOM 77 CB ARG A 627 17.838 5.027 -5.242 1.00 0.66 C ATOM 78 CG ARG A 627 18.036 4.387 -6.605 1.00 1.31 C ATOM 79 CD ARG A 627 19.473 3.943 -6.819 1.00 1.53 C ATOM 80 NE ARG A 627 20.444 4.966 -6.421 1.00 2.41 N ATOM 81 CZ ARG A 627 21.033 5.814 -7.271 1.00 2.91 C ATOM 82 NH1 ARG A 627 20.650 5.860 -8.542 1.00 2.66 N ATOM 83 NH2 ARG A 627 21.990 6.629 -6.838 1.00 4.02 N ATOM 0 H ARG A 627 17.129 6.453 -3.340 1.00 0.56 H new ATOM 0 HA ARG A 627 15.859 5.642 -5.778 1.00 0.52 H new ATOM 0 HB2 ARG A 627 18.372 5.977 -5.215 1.00 0.66 H new ATOM 0 HB3 ARG A 627 18.285 4.388 -4.481 1.00 0.66 H new ATOM 0 HG2 ARG A 627 17.372 3.528 -6.703 1.00 1.31 H new ATOM 0 HG3 ARG A 627 17.755 5.097 -7.383 1.00 1.31 H new ATOM 0 HD2 ARG A 627 19.657 3.032 -6.249 1.00 1.53 H new ATOM 0 HD3 ARG A 627 19.621 3.697 -7.871 1.00 1.53 H new ATOM 0 HE ARG A 627 20.686 5.036 -5.433 1.00 2.41 H new ATOM 0 HH11 ARG A 627 19.904 5.247 -8.872 1.00 2.66 H new ATOM 0 HH12 ARG A 627 21.101 6.508 -9.188 1.00 2.66 H new ATOM 0 HH21 ARG A 627 22.274 6.607 -5.859 1.00 4.02 H new ATOM 0 HH22 ARG A 627 22.440 7.276 -7.485 1.00 4.02 H new ATOM 97 N LEU A 628 15.893 3.671 -3.142 1.00 0.38 N ATOM 98 CA LEU A 628 15.290 2.490 -2.536 1.00 0.36 C ATOM 99 C LEU A 628 13.779 2.552 -2.579 1.00 0.27 C ATOM 100 O LEU A 628 13.132 1.523 -2.513 1.00 0.29 O ATOM 101 CB LEU A 628 15.728 2.306 -1.085 1.00 0.49 C ATOM 102 CG LEU A 628 17.006 1.503 -0.882 1.00 0.62 C ATOM 103 CD1 LEU A 628 17.201 1.201 0.594 1.00 1.13 C ATOM 104 CD2 LEU A 628 16.963 0.215 -1.688 1.00 1.48 C ATOM 0 H LEU A 628 16.447 4.235 -2.498 1.00 0.38 H new ATOM 0 HA LEU A 628 15.637 1.641 -3.125 1.00 0.36 H new ATOM 0 HB2 LEU A 628 15.863 3.290 -0.637 1.00 0.49 H new ATOM 0 HB3 LEU A 628 14.921 1.816 -0.540 1.00 0.49 H new ATOM 0 HG LEU A 628 17.850 2.096 -1.234 1.00 0.62 H new ATOM 0 HD11 LEU A 628 18.117 0.626 0.730 1.00 1.13 H new ATOM 0 HD12 LEU A 628 17.273 2.136 1.150 1.00 1.13 H new ATOM 0 HD13 LEU A 628 16.353 0.624 0.962 1.00 1.13 H new ATOM 0 HD21 LEU A 628 17.885 -0.344 -1.529 1.00 1.48 H new ATOM 0 HD22 LEU A 628 16.113 -0.387 -1.366 1.00 1.48 H new ATOM 0 HD23 LEU A 628 16.860 0.452 -2.747 1.00 1.48 H new ATOM 116 N GLU A 629 13.218 3.749 -2.684 1.00 0.29 N ATOM 117 CA GLU A 629 11.774 3.885 -2.802 1.00 0.34 C ATOM 118 C GLU A 629 11.299 3.190 -4.072 1.00 0.30 C ATOM 119 O GLU A 629 10.273 2.525 -4.077 1.00 0.33 O ATOM 120 CB GLU A 629 11.359 5.359 -2.811 1.00 0.50 C ATOM 121 CG GLU A 629 11.599 6.062 -1.486 1.00 0.68 C ATOM 122 CD GLU A 629 11.141 7.506 -1.496 1.00 0.94 C ATOM 123 OE1 GLU A 629 9.920 7.752 -1.375 1.00 1.24 O ATOM 124 OE2 GLU A 629 12.001 8.408 -1.616 1.00 1.03 O ATOM 0 H GLU A 629 13.734 4.629 -2.690 1.00 0.29 H new ATOM 0 HA GLU A 629 11.307 3.414 -1.937 1.00 0.34 H new ATOM 0 HB2 GLU A 629 11.910 5.879 -3.595 1.00 0.50 H new ATOM 0 HB3 GLU A 629 10.301 5.429 -3.065 1.00 0.50 H new ATOM 0 HG2 GLU A 629 11.075 5.525 -0.695 1.00 0.68 H new ATOM 0 HG3 GLU A 629 12.662 6.024 -1.247 1.00 0.68 H new ATOM 131 N HIS A 630 12.084 3.317 -5.135 1.00 0.29 N ATOM 132 CA HIS A 630 11.777 2.678 -6.412 1.00 0.35 C ATOM 133 C HIS A 630 11.982 1.166 -6.315 1.00 0.27 C ATOM 134 O HIS A 630 11.214 0.388 -6.884 1.00 0.28 O ATOM 135 CB HIS A 630 12.648 3.271 -7.529 1.00 0.47 C ATOM 136 CG HIS A 630 12.318 2.760 -8.899 1.00 1.05 C ATOM 137 ND1 HIS A 630 11.306 3.282 -9.676 1.00 1.52 N ATOM 138 CD2 HIS A 630 12.881 1.773 -9.633 1.00 1.71 C ATOM 139 CE1 HIS A 630 11.261 2.638 -10.827 1.00 2.20 C ATOM 140 NE2 HIS A 630 12.206 1.718 -10.825 1.00 2.35 N ATOM 0 H HIS A 630 12.946 3.862 -5.138 1.00 0.29 H new ATOM 0 HA HIS A 630 10.731 2.868 -6.653 1.00 0.35 H new ATOM 0 HB2 HIS A 630 12.540 4.356 -7.522 1.00 0.47 H new ATOM 0 HB3 HIS A 630 13.694 3.053 -7.314 1.00 0.47 H new ATOM 0 HD2 HIS A 630 13.708 1.145 -9.335 1.00 1.71 H new ATOM 0 HE1 HIS A 630 10.569 2.831 -11.633 1.00 2.20 H new ATOM 0 HE2 HIS A 630 12.403 1.070 -11.588 1.00 2.35 H new ATOM 149 N ASN A 631 13.021 0.754 -5.596 1.00 0.23 N ATOM 150 CA ASN A 631 13.261 -0.668 -5.347 1.00 0.21 C ATOM 151 C ASN A 631 12.168 -1.232 -4.454 1.00 0.15 C ATOM 152 O ASN A 631 11.660 -2.332 -4.683 1.00 0.17 O ATOM 153 CB ASN A 631 14.630 -0.890 -4.705 1.00 0.25 C ATOM 154 CG ASN A 631 15.757 -0.805 -5.712 1.00 0.35 C ATOM 155 OD1 ASN A 631 16.325 0.261 -5.954 1.00 0.59 O ATOM 156 ND2 ASN A 631 16.070 -1.934 -6.325 1.00 0.77 N ATOM 0 H ASN A 631 13.709 1.379 -5.176 1.00 0.23 H new ATOM 0 HA ASN A 631 13.247 -1.189 -6.305 1.00 0.21 H new ATOM 0 HB2 ASN A 631 14.787 -0.147 -3.923 1.00 0.25 H new ATOM 0 HB3 ASN A 631 14.649 -1.868 -4.223 1.00 0.25 H new ATOM 0 HD21 ASN A 631 16.808 -1.944 -7.029 1.00 0.77 H new ATOM 0 HD22 ASN A 631 15.574 -2.795 -6.094 1.00 0.77 H new ATOM 163 N TRP A 632 11.819 -0.464 -3.436 1.00 0.15 N ATOM 164 CA TRP A 632 10.698 -0.783 -2.570 1.00 0.16 C ATOM 165 C TRP A 632 9.408 -0.925 -3.375 1.00 0.20 C ATOM 166 O TRP A 632 8.561 -1.767 -3.066 1.00 0.23 O ATOM 167 CB TRP A 632 10.527 0.302 -1.509 1.00 0.21 C ATOM 168 CG TRP A 632 11.111 -0.058 -0.181 1.00 0.21 C ATOM 169 CD1 TRP A 632 12.184 0.515 0.438 1.00 0.24 C ATOM 170 CD2 TRP A 632 10.636 -1.077 0.695 1.00 0.21 C ATOM 171 NE1 TRP A 632 12.396 -0.084 1.655 1.00 0.25 N ATOM 172 CE2 TRP A 632 11.458 -1.069 1.835 1.00 0.23 C ATOM 173 CE3 TRP A 632 9.592 -1.995 0.623 1.00 0.24 C ATOM 174 CZ2 TRP A 632 11.260 -1.950 2.897 1.00 0.26 C ATOM 175 CZ3 TRP A 632 9.396 -2.864 1.671 1.00 0.29 C ATOM 176 CH2 TRP A 632 10.221 -2.837 2.794 1.00 0.29 C ATOM 0 H TRP A 632 12.305 0.398 -3.187 1.00 0.15 H new ATOM 0 HA TRP A 632 10.908 -1.735 -2.082 1.00 0.16 H new ATOM 0 HB2 TRP A 632 10.993 1.221 -1.864 1.00 0.21 H new ATOM 0 HB3 TRP A 632 9.465 0.511 -1.384 1.00 0.21 H new ATOM 0 HD1 TRP A 632 12.778 1.320 0.031 1.00 0.24 H new ATOM 0 HE1 TRP A 632 13.131 0.163 2.318 1.00 0.25 H new ATOM 0 HE3 TRP A 632 8.946 -2.024 -0.242 1.00 0.24 H new ATOM 0 HZ2 TRP A 632 11.900 -1.934 3.767 1.00 0.26 H new ATOM 0 HZ3 TRP A 632 8.589 -3.580 1.623 1.00 0.29 H new ATOM 0 HH2 TRP A 632 10.037 -3.531 3.601 1.00 0.29 H new ATOM 187 N ASN A 633 9.263 -0.094 -4.408 1.00 0.22 N ATOM 188 CA ASN A 633 8.100 -0.163 -5.285 1.00 0.29 C ATOM 189 C ASN A 633 8.022 -1.523 -5.962 1.00 0.29 C ATOM 190 O ASN A 633 6.942 -2.100 -6.071 1.00 0.33 O ATOM 191 CB ASN A 633 8.111 0.943 -6.354 1.00 0.36 C ATOM 192 CG ASN A 633 7.970 2.350 -5.790 1.00 0.41 C ATOM 193 OD1 ASN A 633 8.356 3.328 -6.435 1.00 0.47 O ATOM 194 ND2 ASN A 633 7.453 2.470 -4.575 1.00 0.42 N ATOM 0 H ASN A 633 9.936 0.632 -4.655 1.00 0.22 H new ATOM 0 HA ASN A 633 7.222 -0.014 -4.657 1.00 0.29 H new ATOM 0 HB2 ASN A 633 9.042 0.880 -6.918 1.00 0.36 H new ATOM 0 HB3 ASN A 633 7.299 0.762 -7.058 1.00 0.36 H new ATOM 0 HD21 ASN A 633 7.365 3.392 -4.147 1.00 0.42 H new ATOM 0 HD22 ASN A 633 7.143 1.641 -4.068 1.00 0.42 H new ATOM 201 N LYS A 634 9.173 -2.036 -6.396 1.00 0.30 N ATOM 202 CA LYS A 634 9.234 -3.347 -7.045 1.00 0.36 C ATOM 203 C LYS A 634 8.668 -4.420 -6.125 1.00 0.32 C ATOM 204 O LYS A 634 7.853 -5.245 -6.540 1.00 0.33 O ATOM 205 CB LYS A 634 10.677 -3.725 -7.391 1.00 0.46 C ATOM 206 CG LYS A 634 11.391 -2.761 -8.318 1.00 1.21 C ATOM 207 CD LYS A 634 12.775 -3.285 -8.649 1.00 1.61 C ATOM 208 CE LYS A 634 13.545 -2.342 -9.555 1.00 2.37 C ATOM 209 NZ LYS A 634 14.860 -2.915 -9.941 1.00 3.15 N ATOM 0 H LYS A 634 10.074 -1.566 -6.311 1.00 0.30 H new ATOM 0 HA LYS A 634 8.645 -3.284 -7.960 1.00 0.36 H new ATOM 0 HB2 LYS A 634 11.247 -3.804 -6.465 1.00 0.46 H new ATOM 0 HB3 LYS A 634 10.677 -4.713 -7.850 1.00 0.46 H new ATOM 0 HG2 LYS A 634 10.814 -2.630 -9.234 1.00 1.21 H new ATOM 0 HG3 LYS A 634 11.468 -1.781 -7.847 1.00 1.21 H new ATOM 0 HD2 LYS A 634 13.334 -3.436 -7.726 1.00 1.61 H new ATOM 0 HD3 LYS A 634 12.687 -4.258 -9.132 1.00 1.61 H new ATOM 0 HE2 LYS A 634 12.959 -2.136 -10.451 1.00 2.37 H new ATOM 0 HE3 LYS A 634 13.696 -1.390 -9.047 1.00 2.37 H new ATOM 0 HZ1 LYS A 634 15.362 -2.247 -10.560 1.00 3.15 H new ATOM 0 HZ2 LYS A 634 15.427 -3.088 -9.087 1.00 3.15 H new ATOM 0 HZ3 LYS A 634 14.713 -3.812 -10.447 1.00 3.15 H new ATOM 223 N PHE A 635 9.102 -4.382 -4.870 1.00 0.30 N ATOM 224 CA PHE A 635 8.693 -5.370 -3.877 1.00 0.30 C ATOM 225 C PHE A 635 7.172 -5.406 -3.713 1.00 0.27 C ATOM 226 O PHE A 635 6.547 -6.450 -3.906 1.00 0.27 O ATOM 227 CB PHE A 635 9.370 -5.065 -2.535 1.00 0.32 C ATOM 228 CG PHE A 635 8.931 -5.962 -1.413 1.00 0.32 C ATOM 229 CD1 PHE A 635 9.171 -7.325 -1.469 1.00 0.39 C ATOM 230 CD2 PHE A 635 8.277 -5.448 -0.305 1.00 0.33 C ATOM 231 CE1 PHE A 635 8.769 -8.157 -0.443 1.00 0.42 C ATOM 232 CE2 PHE A 635 7.873 -6.275 0.723 1.00 0.35 C ATOM 233 CZ PHE A 635 8.120 -7.614 0.669 1.00 0.37 C ATOM 0 H PHE A 635 9.742 -3.672 -4.514 1.00 0.30 H new ATOM 0 HA PHE A 635 9.007 -6.354 -4.225 1.00 0.30 H new ATOM 0 HB2 PHE A 635 10.450 -5.153 -2.656 1.00 0.32 H new ATOM 0 HB3 PHE A 635 9.163 -4.030 -2.262 1.00 0.32 H new ATOM 0 HD1 PHE A 635 9.679 -7.742 -2.326 1.00 0.39 H new ATOM 0 HD2 PHE A 635 8.081 -4.388 -0.245 1.00 0.33 H new ATOM 0 HE1 PHE A 635 8.955 -9.219 -0.500 1.00 0.42 H new ATOM 0 HE2 PHE A 635 7.358 -5.858 1.576 1.00 0.35 H new ATOM 0 HZ PHE A 635 7.815 -8.254 1.484 1.00 0.37 H new ATOM 243 N PHE A 636 6.575 -4.264 -3.395 1.00 0.26 N ATOM 244 CA PHE A 636 5.142 -4.207 -3.135 1.00 0.26 C ATOM 245 C PHE A 636 4.333 -4.450 -4.406 1.00 0.24 C ATOM 246 O PHE A 636 3.277 -5.079 -4.362 1.00 0.25 O ATOM 247 CB PHE A 636 4.760 -2.869 -2.502 1.00 0.28 C ATOM 248 CG PHE A 636 5.264 -2.711 -1.096 1.00 0.28 C ATOM 249 CD1 PHE A 636 5.034 -3.702 -0.156 1.00 0.37 C ATOM 250 CD2 PHE A 636 5.957 -1.577 -0.708 1.00 0.31 C ATOM 251 CE1 PHE A 636 5.486 -3.571 1.136 1.00 0.39 C ATOM 252 CE2 PHE A 636 6.410 -1.440 0.586 1.00 0.35 C ATOM 253 CZ PHE A 636 6.174 -2.441 1.507 1.00 0.36 C ATOM 0 H PHE A 636 7.058 -3.369 -3.311 1.00 0.26 H new ATOM 0 HA PHE A 636 4.903 -5.004 -2.432 1.00 0.26 H new ATOM 0 HB2 PHE A 636 5.155 -2.059 -3.115 1.00 0.28 H new ATOM 0 HB3 PHE A 636 3.674 -2.771 -2.505 1.00 0.28 H new ATOM 0 HD1 PHE A 636 4.492 -4.591 -0.442 1.00 0.37 H new ATOM 0 HD2 PHE A 636 6.144 -0.793 -1.426 1.00 0.31 H new ATOM 0 HE1 PHE A 636 5.301 -4.354 1.857 1.00 0.39 H new ATOM 0 HE2 PHE A 636 6.949 -0.551 0.879 1.00 0.35 H new ATOM 0 HZ PHE A 636 6.531 -2.336 2.521 1.00 0.36 H new ATOM 263 N ALA A 637 4.846 -3.975 -5.538 1.00 0.26 N ATOM 264 CA ALA A 637 4.168 -4.143 -6.821 1.00 0.26 C ATOM 265 C ALA A 637 4.045 -5.616 -7.197 1.00 0.24 C ATOM 266 O ALA A 637 3.193 -5.992 -8.004 1.00 0.26 O ATOM 267 CB ALA A 637 4.895 -3.385 -7.920 1.00 0.31 C ATOM 0 H ALA A 637 5.730 -3.470 -5.593 1.00 0.26 H new ATOM 0 HA ALA A 637 3.164 -3.733 -6.715 1.00 0.26 H new ATOM 0 HB1 ALA A 637 4.372 -3.525 -8.866 1.00 0.31 H new ATOM 0 HB2 ALA A 637 4.922 -2.324 -7.674 1.00 0.31 H new ATOM 0 HB3 ALA A 637 5.914 -3.762 -8.010 1.00 0.31 H new ATOM 273 N SER A 638 4.906 -6.445 -6.629 1.00 0.23 N ATOM 274 CA SER A 638 4.911 -7.863 -6.939 1.00 0.25 C ATOM 275 C SER A 638 3.670 -8.571 -6.389 1.00 0.23 C ATOM 276 O SER A 638 3.094 -9.425 -7.063 1.00 0.28 O ATOM 277 CB SER A 638 6.182 -8.516 -6.397 1.00 0.28 C ATOM 278 OG SER A 638 7.336 -7.913 -6.962 1.00 0.96 O ATOM 0 H SER A 638 5.611 -6.158 -5.950 1.00 0.23 H new ATOM 0 HA SER A 638 4.890 -7.965 -8.024 1.00 0.25 H new ATOM 0 HB2 SER A 638 6.211 -8.422 -5.311 1.00 0.28 H new ATOM 0 HB3 SER A 638 6.174 -9.582 -6.624 1.00 0.28 H new ATOM 0 HG SER A 638 7.381 -6.973 -6.689 1.00 0.96 H new ATOM 284 N PHE A 639 3.243 -8.217 -5.178 1.00 0.21 N ATOM 285 CA PHE A 639 2.109 -8.907 -4.567 1.00 0.23 C ATOM 286 C PHE A 639 0.862 -8.036 -4.455 1.00 0.22 C ATOM 287 O PHE A 639 -0.245 -8.518 -4.691 1.00 0.25 O ATOM 288 CB PHE A 639 2.479 -9.482 -3.192 1.00 0.26 C ATOM 289 CG PHE A 639 3.196 -8.536 -2.266 1.00 0.25 C ATOM 290 CD1 PHE A 639 2.479 -7.594 -1.548 1.00 0.24 C ATOM 291 CD2 PHE A 639 4.580 -8.563 -2.128 1.00 0.28 C ATOM 292 CE1 PHE A 639 3.119 -6.701 -0.716 1.00 0.27 C ATOM 293 CE2 PHE A 639 5.222 -7.672 -1.293 1.00 0.32 C ATOM 294 CZ PHE A 639 4.547 -6.840 -0.529 1.00 0.27 C ATOM 0 H PHE A 639 3.654 -7.474 -4.612 1.00 0.21 H new ATOM 0 HA PHE A 639 1.865 -9.727 -5.242 1.00 0.23 H new ATOM 0 HB2 PHE A 639 1.566 -9.821 -2.702 1.00 0.26 H new ATOM 0 HB3 PHE A 639 3.106 -10.361 -3.342 1.00 0.26 H new ATOM 0 HD1 PHE A 639 1.404 -7.559 -1.641 1.00 0.24 H new ATOM 0 HD2 PHE A 639 5.158 -9.289 -2.680 1.00 0.28 H new ATOM 0 HE1 PHE A 639 2.569 -5.917 -0.216 1.00 0.27 H new ATOM 0 HE2 PHE A 639 6.302 -7.657 -1.266 1.00 0.32 H new ATOM 0 HZ PHE A 639 5.055 -6.265 0.232 1.00 0.27 H new ATOM 304 N VAL A 640 1.039 -6.760 -4.137 1.00 0.22 N ATOM 305 CA VAL A 640 -0.091 -5.885 -3.822 1.00 0.24 C ATOM 306 C VAL A 640 -1.161 -5.857 -4.928 1.00 0.21 C ATOM 307 O VAL A 640 -2.331 -6.136 -4.651 1.00 0.24 O ATOM 308 CB VAL A 640 0.379 -4.447 -3.508 1.00 0.29 C ATOM 309 CG1 VAL A 640 -0.772 -3.468 -3.644 1.00 0.34 C ATOM 310 CG2 VAL A 640 0.971 -4.372 -2.108 1.00 0.34 C ATOM 0 H VAL A 640 1.951 -6.305 -4.089 1.00 0.22 H new ATOM 0 HA VAL A 640 -0.555 -6.312 -2.933 1.00 0.24 H new ATOM 0 HB VAL A 640 1.152 -4.176 -4.227 1.00 0.29 H new ATOM 0 HG11 VAL A 640 -0.421 -2.461 -3.419 1.00 0.34 H new ATOM 0 HG12 VAL A 640 -1.157 -3.499 -4.663 1.00 0.34 H new ATOM 0 HG13 VAL A 640 -1.565 -3.740 -2.948 1.00 0.34 H new ATOM 0 HG21 VAL A 640 1.296 -3.352 -1.905 1.00 0.34 H new ATOM 0 HG22 VAL A 640 0.216 -4.664 -1.378 1.00 0.34 H new ATOM 0 HG23 VAL A 640 1.825 -5.046 -2.037 1.00 0.34 H new ATOM 320 N PRO A 641 -0.795 -5.538 -6.189 1.00 0.22 N ATOM 321 CA PRO A 641 -1.768 -5.463 -7.284 1.00 0.27 C ATOM 322 C PRO A 641 -2.489 -6.785 -7.513 1.00 0.30 C ATOM 323 O PRO A 641 -3.663 -6.799 -7.857 1.00 0.42 O ATOM 324 CB PRO A 641 -0.920 -5.097 -8.506 1.00 0.36 C ATOM 325 CG PRO A 641 0.303 -4.470 -7.941 1.00 0.56 C ATOM 326 CD PRO A 641 0.560 -5.188 -6.649 1.00 0.24 C ATOM 0 HA PRO A 641 -2.557 -4.742 -7.070 1.00 0.27 H new ATOM 0 HB2 PRO A 641 -0.676 -5.979 -9.097 1.00 0.36 H new ATOM 0 HB3 PRO A 641 -1.450 -4.409 -9.164 1.00 0.36 H new ATOM 0 HG2 PRO A 641 1.148 -4.573 -8.622 1.00 0.56 H new ATOM 0 HG3 PRO A 641 0.156 -3.403 -7.775 1.00 0.56 H new ATOM 0 HD2 PRO A 641 1.178 -6.074 -6.796 1.00 0.24 H new ATOM 0 HD3 PRO A 641 1.079 -4.553 -5.931 1.00 0.24 H new ATOM 334 N ASN A 642 -1.784 -7.889 -7.310 1.00 0.30 N ATOM 335 CA ASN A 642 -2.345 -9.212 -7.564 1.00 0.37 C ATOM 336 C ASN A 642 -3.314 -9.630 -6.465 1.00 0.33 C ATOM 337 O ASN A 642 -4.360 -10.221 -6.745 1.00 0.38 O ATOM 338 CB ASN A 642 -1.229 -10.245 -7.709 1.00 0.49 C ATOM 339 CG ASN A 642 -0.352 -9.971 -8.914 1.00 0.98 C ATOM 340 OD1 ASN A 642 -0.636 -10.431 -10.018 1.00 1.70 O ATOM 341 ND2 ASN A 642 0.726 -9.228 -8.712 1.00 0.95 N ATOM 0 H ASN A 642 -0.822 -7.897 -6.970 1.00 0.30 H new ATOM 0 HA ASN A 642 -2.904 -9.161 -8.498 1.00 0.37 H new ATOM 0 HB2 ASN A 642 -0.616 -10.245 -6.808 1.00 0.49 H new ATOM 0 HB3 ASN A 642 -1.666 -11.240 -7.798 1.00 0.49 H new ATOM 0 HD21 ASN A 642 1.354 -9.020 -9.488 1.00 0.95 H new ATOM 0 HD22 ASN A 642 0.928 -8.864 -7.781 1.00 0.95 H new ATOM 348 N LEU A 643 -2.962 -9.319 -5.220 1.00 0.29 N ATOM 349 CA LEU A 643 -3.810 -9.636 -4.073 1.00 0.31 C ATOM 350 C LEU A 643 -5.170 -8.961 -4.215 1.00 0.28 C ATOM 351 O LEU A 643 -6.214 -9.606 -4.146 1.00 0.33 O ATOM 352 CB LEU A 643 -3.120 -9.176 -2.773 1.00 0.33 C ATOM 353 CG LEU A 643 -1.795 -9.877 -2.461 1.00 0.57 C ATOM 354 CD1 LEU A 643 -1.133 -9.253 -1.245 1.00 1.37 C ATOM 355 CD2 LEU A 643 -2.016 -11.366 -2.246 1.00 1.24 C ATOM 0 H LEU A 643 -2.091 -8.846 -4.979 1.00 0.29 H new ATOM 0 HA LEU A 643 -3.963 -10.714 -4.034 1.00 0.31 H new ATOM 0 HB2 LEU A 643 -2.940 -8.103 -2.835 1.00 0.33 H new ATOM 0 HB3 LEU A 643 -3.804 -9.337 -1.940 1.00 0.33 H new ATOM 0 HG LEU A 643 -1.130 -9.749 -3.315 1.00 0.57 H new ATOM 0 HD11 LEU A 643 -0.193 -9.765 -1.040 1.00 1.37 H new ATOM 0 HD12 LEU A 643 -0.937 -8.198 -1.438 1.00 1.37 H new ATOM 0 HD13 LEU A 643 -1.793 -9.347 -0.383 1.00 1.37 H new ATOM 0 HD21 LEU A 643 -1.063 -11.847 -2.025 1.00 1.24 H new ATOM 0 HD22 LEU A 643 -2.700 -11.515 -1.411 1.00 1.24 H new ATOM 0 HD23 LEU A 643 -2.444 -11.804 -3.148 1.00 1.24 H new ATOM 367 N ILE A 644 -5.133 -7.660 -4.430 1.00 0.26 N ATOM 368 CA ILE A 644 -6.333 -6.835 -4.493 1.00 0.29 C ATOM 369 C ILE A 644 -7.058 -6.910 -5.835 1.00 0.36 C ATOM 370 O ILE A 644 -8.262 -6.673 -5.886 1.00 0.47 O ATOM 371 CB ILE A 644 -5.974 -5.390 -4.143 1.00 0.33 C ATOM 372 CG1 ILE A 644 -5.755 -5.292 -2.650 1.00 0.51 C ATOM 373 CG2 ILE A 644 -7.042 -4.396 -4.575 1.00 0.41 C ATOM 374 CD1 ILE A 644 -4.580 -4.423 -2.262 1.00 0.67 C ATOM 0 H ILE A 644 -4.267 -7.139 -4.567 1.00 0.26 H new ATOM 0 HA ILE A 644 -7.036 -7.233 -3.761 1.00 0.29 H new ATOM 0 HB ILE A 644 -5.066 -5.130 -4.687 1.00 0.33 H new ATOM 0 HG12 ILE A 644 -6.658 -4.896 -2.185 1.00 0.51 H new ATOM 0 HG13 ILE A 644 -5.603 -6.294 -2.248 1.00 0.51 H new ATOM 0 HG21 ILE A 644 -6.733 -3.387 -4.301 1.00 0.41 H new ATOM 0 HG22 ILE A 644 -7.177 -4.453 -5.655 1.00 0.41 H new ATOM 0 HG23 ILE A 644 -7.983 -4.634 -4.079 1.00 0.41 H new ATOM 0 HD11 ILE A 644 -4.486 -4.401 -1.176 1.00 0.67 H new ATOM 0 HD12 ILE A 644 -3.667 -4.830 -2.697 1.00 0.67 H new ATOM 0 HD13 ILE A 644 -4.738 -3.410 -2.633 1.00 0.67 H new ATOM 386 N LYS A 645 -6.335 -7.235 -6.908 1.00 0.42 N ATOM 387 CA LYS A 645 -6.902 -7.238 -8.268 1.00 0.60 C ATOM 388 C LYS A 645 -8.268 -7.919 -8.316 1.00 0.68 C ATOM 389 O LYS A 645 -9.132 -7.543 -9.109 1.00 0.81 O ATOM 390 CB LYS A 645 -5.956 -7.941 -9.248 1.00 0.73 C ATOM 391 CG LYS A 645 -6.435 -7.900 -10.691 1.00 1.14 C ATOM 392 CD LYS A 645 -5.482 -8.619 -11.636 1.00 1.61 C ATOM 393 CE LYS A 645 -4.117 -7.952 -11.680 1.00 2.44 C ATOM 394 NZ LYS A 645 -3.230 -8.558 -12.708 1.00 3.24 N ATOM 0 H LYS A 645 -5.351 -7.501 -6.866 1.00 0.42 H new ATOM 0 HA LYS A 645 -7.026 -6.195 -8.559 1.00 0.60 H new ATOM 0 HB2 LYS A 645 -4.972 -7.476 -9.187 1.00 0.73 H new ATOM 0 HB3 LYS A 645 -5.837 -8.981 -8.943 1.00 0.73 H new ATOM 0 HG2 LYS A 645 -7.422 -8.357 -10.757 1.00 1.14 H new ATOM 0 HG3 LYS A 645 -6.542 -6.862 -11.007 1.00 1.14 H new ATOM 0 HD2 LYS A 645 -5.369 -9.656 -11.319 1.00 1.61 H new ATOM 0 HD3 LYS A 645 -5.910 -8.637 -12.638 1.00 1.61 H new ATOM 0 HE2 LYS A 645 -4.240 -6.889 -11.889 1.00 2.44 H new ATOM 0 HE3 LYS A 645 -3.644 -8.031 -10.701 1.00 2.44 H new ATOM 0 HZ1 LYS A 645 -2.310 -8.072 -12.703 1.00 3.24 H new ATOM 0 HZ2 LYS A 645 -3.090 -9.566 -12.495 1.00 3.24 H new ATOM 0 HZ3 LYS A 645 -3.668 -8.460 -13.646 1.00 3.24 H new ATOM 408 N LYS A 646 -8.471 -8.882 -7.431 1.00 0.65 N ATOM 409 CA LYS A 646 -9.705 -9.647 -7.408 1.00 0.80 C ATOM 410 C LYS A 646 -9.700 -10.599 -6.226 1.00 0.82 C ATOM 411 O LYS A 646 -9.510 -11.802 -6.381 1.00 0.97 O ATOM 412 CB LYS A 646 -9.907 -10.427 -8.715 1.00 0.99 C ATOM 413 CG LYS A 646 -11.294 -11.037 -8.851 1.00 1.22 C ATOM 414 CD LYS A 646 -12.377 -9.968 -8.817 1.00 1.85 C ATOM 415 CE LYS A 646 -13.769 -10.575 -8.827 1.00 2.19 C ATOM 416 NZ LYS A 646 -14.057 -11.312 -10.083 1.00 2.88 N ATOM 0 H LYS A 646 -7.794 -9.152 -6.717 1.00 0.65 H new ATOM 0 HA LYS A 646 -10.535 -8.947 -7.306 1.00 0.80 H new ATOM 0 HB2 LYS A 646 -9.728 -9.760 -9.558 1.00 0.99 H new ATOM 0 HB3 LYS A 646 -9.162 -11.221 -8.773 1.00 0.99 H new ATOM 0 HG2 LYS A 646 -11.359 -11.593 -9.786 1.00 1.22 H new ATOM 0 HG3 LYS A 646 -11.460 -11.751 -8.044 1.00 1.22 H new ATOM 0 HD2 LYS A 646 -12.254 -9.355 -7.924 1.00 1.85 H new ATOM 0 HD3 LYS A 646 -12.262 -9.307 -9.676 1.00 1.85 H new ATOM 0 HE2 LYS A 646 -13.873 -11.253 -7.980 1.00 2.19 H new ATOM 0 HE3 LYS A 646 -14.508 -9.785 -8.695 1.00 2.19 H new ATOM 0 HZ1 LYS A 646 -15.046 -11.635 -10.077 1.00 2.88 H new ATOM 0 HZ2 LYS A 646 -13.903 -10.684 -10.897 1.00 2.88 H new ATOM 0 HZ3 LYS A 646 -13.425 -12.135 -10.156 1.00 2.88 H new ATOM 430 N ASN A 647 -9.871 -10.052 -5.037 1.00 0.74 N ATOM 431 CA ASN A 647 -9.971 -10.875 -3.840 1.00 0.85 C ATOM 432 C ASN A 647 -11.287 -10.539 -3.145 1.00 0.79 C ATOM 433 O ASN A 647 -11.925 -9.563 -3.530 1.00 0.68 O ATOM 434 CB ASN A 647 -8.752 -10.587 -2.946 1.00 0.92 C ATOM 435 CG ASN A 647 -8.579 -11.535 -1.770 1.00 1.47 C ATOM 436 OD1 ASN A 647 -9.056 -11.270 -0.665 1.00 2.38 O ATOM 437 ND2 ASN A 647 -7.884 -12.639 -1.998 1.00 1.39 N ATOM 0 H ASN A 647 -9.944 -9.048 -4.872 1.00 0.74 H new ATOM 0 HA ASN A 647 -9.969 -11.939 -4.075 1.00 0.85 H new ATOM 0 HB2 ASN A 647 -7.852 -10.626 -3.560 1.00 0.92 H new ATOM 0 HB3 ASN A 647 -8.833 -9.569 -2.564 1.00 0.92 H new ATOM 0 HD21 ASN A 647 -7.727 -13.307 -1.244 1.00 1.39 H new ATOM 0 HD22 ASN A 647 -7.506 -12.821 -2.928 1.00 1.39 H new ATOM 444 N PRO A 648 -11.769 -11.332 -2.171 1.00 0.89 N ATOM 445 CA PRO A 648 -12.891 -10.911 -1.325 1.00 0.90 C ATOM 446 C PRO A 648 -12.731 -9.484 -0.775 1.00 0.81 C ATOM 447 O PRO A 648 -13.710 -8.855 -0.378 1.00 0.82 O ATOM 448 CB PRO A 648 -12.861 -11.929 -0.190 1.00 1.08 C ATOM 449 CG PRO A 648 -12.333 -13.171 -0.818 1.00 1.30 C ATOM 450 CD PRO A 648 -11.375 -12.731 -1.896 1.00 1.04 C ATOM 0 HA PRO A 648 -13.829 -10.883 -1.879 1.00 0.90 H new ATOM 0 HB2 PRO A 648 -12.221 -11.594 0.627 1.00 1.08 H new ATOM 0 HB3 PRO A 648 -13.855 -12.087 0.228 1.00 1.08 H new ATOM 0 HG2 PRO A 648 -11.827 -13.794 -0.080 1.00 1.30 H new ATOM 0 HG3 PRO A 648 -13.143 -13.768 -1.238 1.00 1.30 H new ATOM 0 HD2 PRO A 648 -10.340 -12.796 -1.562 1.00 1.04 H new ATOM 0 HD3 PRO A 648 -11.462 -13.353 -2.787 1.00 1.04 H new ATOM 458 N GLN A 649 -11.497 -8.972 -0.764 1.00 0.80 N ATOM 459 CA GLN A 649 -11.237 -7.594 -0.376 1.00 0.82 C ATOM 460 C GLN A 649 -11.546 -6.643 -1.540 1.00 0.68 C ATOM 461 O GLN A 649 -12.044 -5.539 -1.342 1.00 0.71 O ATOM 462 CB GLN A 649 -9.785 -7.464 0.079 1.00 1.02 C ATOM 463 CG GLN A 649 -8.790 -8.067 -0.901 1.00 0.92 C ATOM 464 CD GLN A 649 -7.434 -8.372 -0.281 1.00 1.44 C ATOM 465 OE1 GLN A 649 -6.413 -8.358 -0.965 1.00 2.04 O ATOM 466 NE2 GLN A 649 -7.414 -8.657 1.012 1.00 1.83 N ATOM 0 H GLN A 649 -10.663 -9.499 -1.022 1.00 0.80 H new ATOM 0 HA GLN A 649 -11.888 -7.318 0.453 1.00 0.82 H new ATOM 0 HB2 GLN A 649 -9.550 -6.409 0.222 1.00 1.02 H new ATOM 0 HB3 GLN A 649 -9.670 -7.950 1.048 1.00 1.02 H new ATOM 0 HG2 GLN A 649 -9.208 -8.986 -1.311 1.00 0.92 H new ATOM 0 HG3 GLN A 649 -8.652 -7.380 -1.736 1.00 0.92 H new ATOM 0 HE21 GLN A 649 -8.282 -8.659 1.547 1.00 1.83 H new ATOM 0 HE22 GLN A 649 -6.530 -8.875 1.473 1.00 1.83 H new ATOM 475 N SER A 650 -11.265 -7.103 -2.755 1.00 0.63 N ATOM 476 CA SER A 650 -11.630 -6.394 -3.979 1.00 0.61 C ATOM 477 C SER A 650 -13.145 -6.322 -4.117 1.00 0.63 C ATOM 478 O SER A 650 -13.687 -5.374 -4.681 1.00 0.67 O ATOM 479 CB SER A 650 -11.025 -7.119 -5.183 1.00 0.70 C ATOM 480 OG SER A 650 -11.612 -6.718 -6.408 1.00 1.56 O ATOM 0 H SER A 650 -10.775 -7.982 -2.920 1.00 0.63 H new ATOM 0 HA SER A 650 -11.240 -5.377 -3.935 1.00 0.61 H new ATOM 0 HB2 SER A 650 -9.953 -6.927 -5.218 1.00 0.70 H new ATOM 0 HB3 SER A 650 -11.152 -8.194 -5.057 1.00 0.70 H new ATOM 0 HG SER A 650 -10.951 -6.794 -7.128 1.00 1.56 H new ATOM 486 N LYS A 651 -13.822 -7.337 -3.592 1.00 0.66 N ATOM 487 CA LYS A 651 -15.279 -7.367 -3.575 1.00 0.74 C ATOM 488 C LYS A 651 -15.820 -6.230 -2.708 1.00 0.72 C ATOM 489 O LYS A 651 -16.983 -5.838 -2.814 1.00 0.78 O ATOM 490 CB LYS A 651 -15.763 -8.719 -3.049 1.00 0.87 C ATOM 491 CG LYS A 651 -17.273 -8.870 -3.037 1.00 1.53 C ATOM 492 CD LYS A 651 -17.693 -10.239 -2.542 1.00 1.63 C ATOM 493 CE LYS A 651 -19.206 -10.384 -2.534 1.00 2.38 C ATOM 494 NZ LYS A 651 -19.793 -10.164 -3.883 1.00 3.08 N ATOM 0 H LYS A 651 -13.381 -8.155 -3.170 1.00 0.66 H new ATOM 0 HA LYS A 651 -15.651 -7.232 -4.591 1.00 0.74 H new ATOM 0 HB2 LYS A 651 -15.333 -9.511 -3.662 1.00 0.87 H new ATOM 0 HB3 LYS A 651 -15.386 -8.860 -2.036 1.00 0.87 H new ATOM 0 HG2 LYS A 651 -17.711 -8.102 -2.400 1.00 1.53 H new ATOM 0 HG3 LYS A 651 -17.663 -8.711 -4.042 1.00 1.53 H new ATOM 0 HD2 LYS A 651 -17.255 -11.008 -3.178 1.00 1.63 H new ATOM 0 HD3 LYS A 651 -17.305 -10.399 -1.536 1.00 1.63 H new ATOM 0 HE2 LYS A 651 -19.473 -11.380 -2.180 1.00 2.38 H new ATOM 0 HE3 LYS A 651 -19.635 -9.670 -1.831 1.00 2.38 H new ATOM 0 HZ1 LYS A 651 -20.772 -10.514 -3.897 1.00 3.08 H new ATOM 0 HZ2 LYS A 651 -19.786 -9.148 -4.103 1.00 3.08 H new ATOM 0 HZ3 LYS A 651 -19.232 -10.676 -4.593 1.00 3.08 H new ATOM 508 N GLN A 652 -14.949 -5.689 -1.869 1.00 0.69 N ATOM 509 CA GLN A 652 -15.311 -4.603 -0.980 1.00 0.76 C ATOM 510 C GLN A 652 -14.763 -3.306 -1.548 1.00 0.71 C ATOM 511 O GLN A 652 -15.200 -2.212 -1.194 1.00 0.87 O ATOM 512 CB GLN A 652 -14.738 -4.859 0.416 1.00 0.84 C ATOM 513 CG GLN A 652 -15.064 -6.241 0.957 1.00 1.34 C ATOM 514 CD GLN A 652 -14.388 -6.526 2.284 1.00 1.94 C ATOM 515 OE1 GLN A 652 -13.266 -7.029 2.323 1.00 2.22 O ATOM 516 NE2 GLN A 652 -15.068 -6.221 3.377 1.00 2.75 N ATOM 0 H GLN A 652 -13.978 -5.990 -1.788 1.00 0.69 H new ATOM 0 HA GLN A 652 -16.396 -4.534 -0.897 1.00 0.76 H new ATOM 0 HB2 GLN A 652 -13.656 -4.735 0.385 1.00 0.84 H new ATOM 0 HB3 GLN A 652 -15.125 -4.107 1.103 1.00 0.84 H new ATOM 0 HG2 GLN A 652 -16.143 -6.334 1.077 1.00 1.34 H new ATOM 0 HG3 GLN A 652 -14.758 -6.993 0.229 1.00 1.34 H new ATOM 0 HE21 GLN A 652 -15.996 -5.805 3.301 1.00 2.75 H new ATOM 0 HE22 GLN A 652 -14.664 -6.402 4.296 1.00 2.75 H new ATOM 525 N PHE A 653 -13.801 -3.450 -2.448 1.00 0.56 N ATOM 526 CA PHE A 653 -13.165 -2.314 -3.084 1.00 0.51 C ATOM 527 C PHE A 653 -14.012 -1.737 -4.207 1.00 0.61 C ATOM 528 O PHE A 653 -14.531 -2.464 -5.056 1.00 0.87 O ATOM 529 CB PHE A 653 -11.833 -2.751 -3.669 1.00 0.44 C ATOM 530 CG PHE A 653 -10.641 -2.450 -2.818 1.00 0.43 C ATOM 531 CD1 PHE A 653 -10.412 -1.168 -2.365 1.00 0.58 C ATOM 532 CD2 PHE A 653 -9.723 -3.440 -2.517 1.00 0.52 C ATOM 533 CE1 PHE A 653 -9.287 -0.871 -1.630 1.00 0.66 C ATOM 534 CE2 PHE A 653 -8.601 -3.151 -1.777 1.00 0.58 C ATOM 535 CZ PHE A 653 -8.382 -1.865 -1.335 1.00 0.58 C ATOM 0 H PHE A 653 -13.443 -4.355 -2.754 1.00 0.56 H new ATOM 0 HA PHE A 653 -13.033 -1.545 -2.323 1.00 0.51 H new ATOM 0 HB2 PHE A 653 -11.868 -3.825 -3.852 1.00 0.44 H new ATOM 0 HB3 PHE A 653 -11.702 -2.267 -4.637 1.00 0.44 H new ATOM 0 HD1 PHE A 653 -11.124 -0.388 -2.590 1.00 0.58 H new ATOM 0 HD2 PHE A 653 -9.889 -4.448 -2.866 1.00 0.52 H new ATOM 0 HE1 PHE A 653 -9.115 0.138 -1.286 1.00 0.66 H new ATOM 0 HE2 PHE A 653 -7.892 -3.931 -1.543 1.00 0.58 H new ATOM 0 HZ PHE A 653 -7.499 -1.636 -0.756 1.00 0.58 H new ATOM 545 N ASP A 654 -14.150 -0.421 -4.198 1.00 0.53 N ATOM 546 CA ASP A 654 -14.617 0.296 -5.369 1.00 0.58 C ATOM 547 C ASP A 654 -13.489 0.241 -6.397 1.00 0.58 C ATOM 548 O ASP A 654 -12.340 -0.015 -6.028 1.00 0.63 O ATOM 549 CB ASP A 654 -14.972 1.749 -5.006 1.00 0.65 C ATOM 550 CG ASP A 654 -15.812 2.476 -6.048 1.00 1.07 C ATOM 551 OD1 ASP A 654 -15.672 2.158 -7.247 1.00 1.47 O ATOM 552 OD2 ASP A 654 -16.628 3.347 -5.686 1.00 1.77 O ATOM 0 H ASP A 654 -13.945 0.170 -3.393 1.00 0.53 H new ATOM 0 HA ASP A 654 -15.523 -0.156 -5.773 1.00 0.58 H new ATOM 0 HB2 ASP A 654 -15.510 1.752 -4.058 1.00 0.65 H new ATOM 0 HB3 ASP A 654 -14.049 2.307 -4.850 1.00 0.65 H new ATOM 557 N HIS A 655 -13.774 0.482 -7.651 1.00 0.63 N ATOM 558 CA HIS A 655 -12.782 0.221 -8.694 1.00 0.67 C ATOM 559 C HIS A 655 -11.613 1.193 -8.576 1.00 0.63 C ATOM 560 O HIS A 655 -10.444 0.789 -8.611 1.00 0.65 O ATOM 561 CB HIS A 655 -13.390 0.291 -10.098 1.00 0.83 C ATOM 562 CG HIS A 655 -12.389 0.012 -11.179 1.00 1.61 C ATOM 563 ND1 HIS A 655 -12.126 0.887 -12.208 1.00 2.50 N ATOM 564 CD2 HIS A 655 -11.566 -1.047 -11.370 1.00 2.36 C ATOM 565 CE1 HIS A 655 -11.186 0.381 -12.985 1.00 3.36 C ATOM 566 NE2 HIS A 655 -10.827 -0.791 -12.498 1.00 3.28 N ATOM 0 H HIS A 655 -14.665 0.852 -7.983 1.00 0.63 H new ATOM 0 HA HIS A 655 -12.418 -0.796 -8.545 1.00 0.67 H new ATOM 0 HB2 HIS A 655 -14.207 -0.427 -10.171 1.00 0.83 H new ATOM 0 HB3 HIS A 655 -13.820 1.280 -10.254 1.00 0.83 H new ATOM 0 HD2 HIS A 655 -11.503 -1.929 -10.750 1.00 2.36 H new ATOM 0 HE1 HIS A 655 -10.780 0.848 -13.870 1.00 3.36 H new ATOM 0 HE2 HIS A 655 -10.117 -1.406 -12.895 1.00 3.28 H new ATOM 575 N GLU A 656 -11.942 2.467 -8.424 1.00 0.64 N ATOM 576 CA GLU A 656 -10.946 3.507 -8.220 1.00 0.64 C ATOM 577 C GLU A 656 -10.146 3.232 -6.951 1.00 0.50 C ATOM 578 O GLU A 656 -8.947 3.499 -6.890 1.00 0.54 O ATOM 579 CB GLU A 656 -11.624 4.877 -8.145 1.00 0.75 C ATOM 580 CG GLU A 656 -12.663 4.993 -7.040 1.00 0.82 C ATOM 581 CD GLU A 656 -13.317 6.355 -7.002 1.00 1.30 C ATOM 582 OE1 GLU A 656 -12.619 7.344 -6.698 1.00 2.14 O ATOM 583 OE2 GLU A 656 -14.534 6.446 -7.276 1.00 1.32 O ATOM 0 H GLU A 656 -12.903 2.808 -8.439 1.00 0.64 H new ATOM 0 HA GLU A 656 -10.258 3.507 -9.065 1.00 0.64 H new ATOM 0 HB2 GLU A 656 -10.861 5.641 -7.994 1.00 0.75 H new ATOM 0 HB3 GLU A 656 -12.101 5.088 -9.102 1.00 0.75 H new ATOM 0 HG2 GLU A 656 -13.428 4.230 -7.183 1.00 0.82 H new ATOM 0 HG3 GLU A 656 -12.190 4.794 -6.078 1.00 0.82 H new ATOM 590 N ASN A 657 -10.817 2.663 -5.952 1.00 0.44 N ATOM 591 CA ASN A 657 -10.182 2.341 -4.681 1.00 0.41 C ATOM 592 C ASN A 657 -9.044 1.384 -4.919 1.00 0.32 C ATOM 593 O ASN A 657 -7.946 1.574 -4.420 1.00 0.33 O ATOM 594 CB ASN A 657 -11.156 1.655 -3.730 1.00 0.57 C ATOM 595 CG ASN A 657 -12.318 2.507 -3.295 1.00 0.89 C ATOM 596 OD1 ASN A 657 -12.678 3.490 -3.937 1.00 1.88 O ATOM 597 ND2 ASN A 657 -12.941 2.096 -2.206 1.00 0.72 N ATOM 0 H ASN A 657 -11.805 2.415 -6.001 1.00 0.44 H new ATOM 0 HA ASN A 657 -9.837 3.277 -4.241 1.00 0.41 H new ATOM 0 HB2 ASN A 657 -11.542 0.757 -4.213 1.00 0.57 H new ATOM 0 HB3 ASN A 657 -10.610 1.331 -2.844 1.00 0.57 H new ATOM 0 HD21 ASN A 657 -13.759 2.601 -1.865 1.00 0.72 H new ATOM 0 HD22 ASN A 657 -12.605 1.273 -1.706 1.00 0.72 H new ATOM 604 N ILE A 658 -9.329 0.360 -5.707 1.00 0.32 N ATOM 605 CA ILE A 658 -8.353 -0.675 -6.016 1.00 0.32 C ATOM 606 C ILE A 658 -7.123 -0.080 -6.705 1.00 0.31 C ATOM 607 O ILE A 658 -5.987 -0.418 -6.368 1.00 0.34 O ATOM 608 CB ILE A 658 -8.986 -1.788 -6.889 1.00 0.39 C ATOM 609 CG1 ILE A 658 -9.608 -2.875 -6.004 1.00 0.37 C ATOM 610 CG2 ILE A 658 -7.967 -2.398 -7.849 1.00 0.46 C ATOM 611 CD1 ILE A 658 -10.189 -4.026 -6.785 1.00 0.43 C ATOM 0 H ILE A 658 -10.238 0.222 -6.149 1.00 0.32 H new ATOM 0 HA ILE A 658 -8.030 -1.123 -5.076 1.00 0.32 H new ATOM 0 HB ILE A 658 -9.772 -1.330 -7.489 1.00 0.39 H new ATOM 0 HG12 ILE A 658 -8.848 -3.256 -5.322 1.00 0.37 H new ATOM 0 HG13 ILE A 658 -10.392 -2.429 -5.391 1.00 0.37 H new ATOM 0 HG21 ILE A 658 -8.447 -3.174 -8.444 1.00 0.46 H new ATOM 0 HG22 ILE A 658 -7.579 -1.622 -8.509 1.00 0.46 H new ATOM 0 HG23 ILE A 658 -7.146 -2.833 -7.280 1.00 0.46 H new ATOM 0 HD11 ILE A 658 -10.612 -4.757 -6.096 1.00 0.43 H new ATOM 0 HD12 ILE A 658 -10.972 -3.658 -7.448 1.00 0.43 H new ATOM 0 HD13 ILE A 658 -9.404 -4.497 -7.377 1.00 0.43 H new ATOM 623 N LYS A 659 -7.357 0.826 -7.646 1.00 0.32 N ATOM 624 CA LYS A 659 -6.268 1.452 -8.386 1.00 0.37 C ATOM 625 C LYS A 659 -5.435 2.362 -7.491 1.00 0.34 C ATOM 626 O LYS A 659 -4.203 2.280 -7.488 1.00 0.37 O ATOM 627 CB LYS A 659 -6.812 2.233 -9.584 1.00 0.48 C ATOM 628 CG LYS A 659 -7.193 1.348 -10.761 1.00 1.37 C ATOM 629 CD LYS A 659 -5.982 0.609 -11.313 1.00 1.85 C ATOM 630 CE LYS A 659 -4.922 1.577 -11.824 1.00 2.61 C ATOM 631 NZ LYS A 659 -3.690 0.879 -12.269 1.00 3.38 N ATOM 0 H LYS A 659 -8.288 1.143 -7.915 1.00 0.32 H new ATOM 0 HA LYS A 659 -5.617 0.658 -8.751 1.00 0.37 H new ATOM 0 HB2 LYS A 659 -7.686 2.803 -9.270 1.00 0.48 H new ATOM 0 HB3 LYS A 659 -6.062 2.954 -9.909 1.00 0.48 H new ATOM 0 HG2 LYS A 659 -7.949 0.628 -10.448 1.00 1.37 H new ATOM 0 HG3 LYS A 659 -7.639 1.957 -11.547 1.00 1.37 H new ATOM 0 HD2 LYS A 659 -5.554 -0.023 -10.535 1.00 1.85 H new ATOM 0 HD3 LYS A 659 -6.295 -0.050 -12.123 1.00 1.85 H new ATOM 0 HE2 LYS A 659 -5.330 2.154 -12.654 1.00 2.61 H new ATOM 0 HE3 LYS A 659 -4.670 2.286 -11.036 1.00 2.61 H new ATOM 0 HZ1 LYS A 659 -2.998 1.578 -12.608 1.00 3.38 H new ATOM 0 HZ2 LYS A 659 -3.284 0.349 -11.472 1.00 3.38 H new ATOM 0 HZ3 LYS A 659 -3.923 0.221 -13.040 1.00 3.38 H new ATOM 645 N GLN A 660 -6.103 3.219 -6.729 1.00 0.34 N ATOM 646 CA GLN A 660 -5.408 4.124 -5.825 1.00 0.38 C ATOM 647 C GLN A 660 -4.725 3.347 -4.705 1.00 0.31 C ATOM 648 O GLN A 660 -3.594 3.653 -4.335 1.00 0.31 O ATOM 649 CB GLN A 660 -6.365 5.168 -5.235 1.00 0.50 C ATOM 650 CG GLN A 660 -6.530 6.417 -6.093 1.00 1.28 C ATOM 651 CD GLN A 660 -7.328 6.187 -7.365 1.00 1.78 C ATOM 652 OE1 GLN A 660 -8.549 6.344 -7.382 1.00 1.90 O ATOM 653 NE2 GLN A 660 -6.646 5.821 -8.438 1.00 2.71 N ATOM 0 H GLN A 660 -7.119 3.306 -6.719 1.00 0.34 H new ATOM 0 HA GLN A 660 -4.648 4.648 -6.404 1.00 0.38 H new ATOM 0 HB2 GLN A 660 -7.343 4.708 -5.090 1.00 0.50 H new ATOM 0 HB3 GLN A 660 -6.002 5.462 -4.250 1.00 0.50 H new ATOM 0 HG2 GLN A 660 -7.021 7.190 -5.502 1.00 1.28 H new ATOM 0 HG3 GLN A 660 -5.543 6.797 -6.358 1.00 1.28 H new ATOM 0 HE21 GLN A 660 -5.635 5.701 -8.383 1.00 2.71 H new ATOM 0 HE22 GLN A 660 -7.132 5.658 -9.320 1.00 2.71 H new ATOM 662 N CYS A 661 -5.413 2.337 -4.184 1.00 0.27 N ATOM 663 CA CYS A 661 -4.883 1.527 -3.096 1.00 0.26 C ATOM 664 C CYS A 661 -3.566 0.886 -3.480 1.00 0.23 C ATOM 665 O CYS A 661 -2.571 1.075 -2.796 1.00 0.25 O ATOM 666 CB CYS A 661 -5.877 0.439 -2.696 1.00 0.28 C ATOM 667 SG CYS A 661 -5.215 -0.774 -1.545 1.00 0.30 S ATOM 0 H CYS A 661 -6.342 2.060 -4.500 1.00 0.27 H new ATOM 0 HA CYS A 661 -4.717 2.192 -2.248 1.00 0.26 H new ATOM 0 HB2 CYS A 661 -6.753 0.909 -2.248 1.00 0.28 H new ATOM 0 HB3 CYS A 661 -6.216 -0.076 -3.595 1.00 0.28 H new ATOM 0 HG CYS A 661 -5.209 -0.275 -0.345 1.00 0.30 H new ATOM 673 N ALA A 662 -3.564 0.148 -4.586 1.00 0.23 N ATOM 674 CA ALA A 662 -2.362 -0.534 -5.054 1.00 0.25 C ATOM 675 C ALA A 662 -1.188 0.431 -5.186 1.00 0.24 C ATOM 676 O ALA A 662 -0.111 0.192 -4.639 1.00 0.24 O ATOM 677 CB ALA A 662 -2.631 -1.222 -6.384 1.00 0.32 C ATOM 0 H ALA A 662 -4.384 0.007 -5.176 1.00 0.23 H new ATOM 0 HA ALA A 662 -2.094 -1.286 -4.311 1.00 0.25 H new ATOM 0 HB1 ALA A 662 -1.726 -1.727 -6.722 1.00 0.32 H new ATOM 0 HB2 ALA A 662 -3.430 -1.953 -6.260 1.00 0.32 H new ATOM 0 HB3 ALA A 662 -2.930 -0.479 -7.124 1.00 0.32 H new ATOM 683 N LYS A 663 -1.410 1.531 -5.891 1.00 0.27 N ATOM 684 CA LYS A 663 -0.364 2.521 -6.111 1.00 0.30 C ATOM 685 C LYS A 663 0.138 3.105 -4.790 1.00 0.26 C ATOM 686 O LYS A 663 1.346 3.168 -4.536 1.00 0.29 O ATOM 687 CB LYS A 663 -0.890 3.642 -7.015 1.00 0.40 C ATOM 688 CG LYS A 663 0.083 4.798 -7.198 1.00 1.19 C ATOM 689 CD LYS A 663 -0.445 5.831 -8.183 1.00 1.51 C ATOM 690 CE LYS A 663 -1.751 6.463 -7.717 1.00 2.61 C ATOM 691 NZ LYS A 663 -1.589 7.234 -6.455 1.00 3.57 N ATOM 0 H LYS A 663 -2.306 1.761 -6.321 1.00 0.27 H new ATOM 0 HA LYS A 663 0.475 2.024 -6.598 1.00 0.30 H new ATOM 0 HB2 LYS A 663 -1.129 3.224 -7.993 1.00 0.40 H new ATOM 0 HB3 LYS A 663 -1.820 4.026 -6.596 1.00 0.40 H new ATOM 0 HG2 LYS A 663 0.266 5.275 -6.235 1.00 1.19 H new ATOM 0 HG3 LYS A 663 1.040 4.415 -7.551 1.00 1.19 H new ATOM 0 HD2 LYS A 663 0.303 6.611 -8.323 1.00 1.51 H new ATOM 0 HD3 LYS A 663 -0.599 5.359 -9.153 1.00 1.51 H new ATOM 0 HE2 LYS A 663 -2.131 7.123 -8.497 1.00 2.61 H new ATOM 0 HE3 LYS A 663 -2.497 5.682 -7.569 1.00 2.61 H new ATOM 0 HZ1 LYS A 663 -2.285 8.006 -6.428 1.00 3.57 H new ATOM 0 HZ2 LYS A 663 -1.739 6.604 -5.641 1.00 3.57 H new ATOM 0 HZ3 LYS A 663 -0.629 7.632 -6.412 1.00 3.57 H new ATOM 705 N ASP A 664 -0.793 3.508 -3.944 1.00 0.25 N ATOM 706 CA ASP A 664 -0.447 4.246 -2.745 1.00 0.29 C ATOM 707 C ASP A 664 0.059 3.356 -1.617 1.00 0.25 C ATOM 708 O ASP A 664 0.822 3.826 -0.793 1.00 0.30 O ATOM 709 CB ASP A 664 -1.612 5.115 -2.276 1.00 0.38 C ATOM 710 CG ASP A 664 -1.701 6.413 -3.053 1.00 1.03 C ATOM 711 OD1 ASP A 664 -1.060 7.404 -2.639 1.00 1.60 O ATOM 712 OD2 ASP A 664 -2.402 6.453 -4.085 1.00 1.72 O ATOM 0 H ASP A 664 -1.791 3.337 -4.065 1.00 0.25 H new ATOM 0 HA ASP A 664 0.384 4.897 -3.019 1.00 0.29 H new ATOM 0 HB2 ASP A 664 -2.545 4.562 -2.387 1.00 0.38 H new ATOM 0 HB3 ASP A 664 -1.496 5.335 -1.215 1.00 0.38 H new ATOM 717 N ILE A 665 -0.344 2.088 -1.557 1.00 0.23 N ATOM 718 CA ILE A 665 0.207 1.183 -0.541 1.00 0.24 C ATOM 719 C ILE A 665 1.671 0.904 -0.836 1.00 0.25 C ATOM 720 O ILE A 665 2.497 0.879 0.074 1.00 0.29 O ATOM 721 CB ILE A 665 -0.565 -0.160 -0.419 1.00 0.24 C ATOM 722 CG1 ILE A 665 0.103 -1.108 0.596 1.00 0.29 C ATOM 723 CG2 ILE A 665 -0.663 -0.847 -1.761 1.00 0.23 C ATOM 724 CD1 ILE A 665 -0.781 -2.263 0.998 1.00 0.38 C ATOM 0 H ILE A 665 -1.033 1.668 -2.181 1.00 0.23 H new ATOM 0 HA ILE A 665 0.099 1.694 0.416 1.00 0.24 H new ATOM 0 HB ILE A 665 -1.567 0.078 -0.062 1.00 0.24 H new ATOM 0 HG12 ILE A 665 1.027 -1.497 0.167 1.00 0.29 H new ATOM 0 HG13 ILE A 665 0.378 -0.542 1.486 1.00 0.29 H new ATOM 0 HG21 ILE A 665 -1.207 -1.785 -1.651 1.00 0.23 H new ATOM 0 HG22 ILE A 665 -1.191 -0.201 -2.463 1.00 0.23 H new ATOM 0 HG23 ILE A 665 0.339 -1.051 -2.139 1.00 0.23 H new ATOM 0 HD11 ILE A 665 -0.253 -2.893 1.714 1.00 0.38 H new ATOM 0 HD12 ILE A 665 -1.694 -1.881 1.455 1.00 0.38 H new ATOM 0 HD13 ILE A 665 -1.035 -2.851 0.116 1.00 0.38 H new ATOM 736 N VAL A 666 1.994 0.739 -2.115 1.00 0.24 N ATOM 737 CA VAL A 666 3.364 0.525 -2.529 1.00 0.27 C ATOM 738 C VAL A 666 4.229 1.704 -2.097 1.00 0.31 C ATOM 739 O VAL A 666 5.331 1.528 -1.584 1.00 0.40 O ATOM 740 CB VAL A 666 3.453 0.338 -4.062 1.00 0.27 C ATOM 741 CG1 VAL A 666 4.894 0.252 -4.518 1.00 0.34 C ATOM 742 CG2 VAL A 666 2.692 -0.904 -4.494 1.00 0.26 C ATOM 0 H VAL A 666 1.319 0.751 -2.880 1.00 0.24 H new ATOM 0 HA VAL A 666 3.729 -0.384 -2.050 1.00 0.27 H new ATOM 0 HB VAL A 666 2.998 1.210 -4.531 1.00 0.27 H new ATOM 0 HG11 VAL A 666 4.926 0.121 -5.600 1.00 0.34 H new ATOM 0 HG12 VAL A 666 5.416 1.170 -4.248 1.00 0.34 H new ATOM 0 HG13 VAL A 666 5.378 -0.597 -4.035 1.00 0.34 H new ATOM 0 HG21 VAL A 666 2.766 -1.018 -5.575 1.00 0.26 H new ATOM 0 HG22 VAL A 666 3.119 -1.780 -4.006 1.00 0.26 H new ATOM 0 HG23 VAL A 666 1.644 -0.806 -4.211 1.00 0.26 H new ATOM 752 N LYS A 667 3.706 2.905 -2.299 1.00 0.31 N ATOM 753 CA LYS A 667 4.420 4.128 -1.965 1.00 0.38 C ATOM 754 C LYS A 667 4.413 4.417 -0.453 1.00 0.31 C ATOM 755 O LYS A 667 5.429 4.809 0.122 1.00 0.37 O ATOM 756 CB LYS A 667 3.805 5.295 -2.735 1.00 0.53 C ATOM 757 CG LYS A 667 4.705 6.514 -2.842 1.00 0.94 C ATOM 758 CD LYS A 667 4.114 7.538 -3.792 1.00 1.55 C ATOM 759 CE LYS A 667 5.043 8.723 -3.996 1.00 2.46 C ATOM 760 NZ LYS A 667 4.483 9.699 -4.964 1.00 3.48 N ATOM 0 H LYS A 667 2.779 3.058 -2.697 1.00 0.31 H new ATOM 0 HA LYS A 667 5.463 3.999 -2.254 1.00 0.38 H new ATOM 0 HB2 LYS A 667 3.548 4.958 -3.739 1.00 0.53 H new ATOM 0 HB3 LYS A 667 2.874 5.586 -2.249 1.00 0.53 H new ATOM 0 HG2 LYS A 667 4.839 6.960 -1.857 1.00 0.94 H new ATOM 0 HG3 LYS A 667 5.692 6.213 -3.193 1.00 0.94 H new ATOM 0 HD2 LYS A 667 3.910 7.066 -4.753 1.00 1.55 H new ATOM 0 HD3 LYS A 667 3.159 7.888 -3.400 1.00 1.55 H new ATOM 0 HE2 LYS A 667 5.217 9.217 -3.040 1.00 2.46 H new ATOM 0 HE3 LYS A 667 6.010 8.370 -4.354 1.00 2.46 H new ATOM 0 HZ1 LYS A 667 5.144 10.494 -5.078 1.00 3.48 H new ATOM 0 HZ2 LYS A 667 4.340 9.233 -5.883 1.00 3.48 H new ATOM 0 HZ3 LYS A 667 3.572 10.055 -4.611 1.00 3.48 H new ATOM 774 N ILE A 668 3.274 4.225 0.194 1.00 0.25 N ATOM 775 CA ILE A 668 3.128 4.599 1.595 1.00 0.26 C ATOM 776 C ILE A 668 3.773 3.578 2.529 1.00 0.27 C ATOM 777 O ILE A 668 4.355 3.953 3.542 1.00 0.32 O ATOM 778 CB ILE A 668 1.650 4.840 2.009 1.00 0.30 C ATOM 779 CG1 ILE A 668 1.592 5.657 3.305 1.00 1.14 C ATOM 780 CG2 ILE A 668 0.891 3.528 2.176 1.00 0.87 C ATOM 781 CD1 ILE A 668 0.186 6.004 3.747 1.00 1.73 C ATOM 0 H ILE A 668 2.440 3.814 -0.225 1.00 0.25 H new ATOM 0 HA ILE A 668 3.656 5.547 1.697 1.00 0.26 H new ATOM 0 HB ILE A 668 1.167 5.401 1.209 1.00 0.30 H new ATOM 0 HG12 ILE A 668 2.084 5.096 4.099 1.00 1.14 H new ATOM 0 HG13 ILE A 668 2.158 6.579 3.168 1.00 1.14 H new ATOM 0 HG21 ILE A 668 -0.139 3.738 2.466 1.00 0.87 H new ATOM 0 HG22 ILE A 668 0.898 2.981 1.233 1.00 0.87 H new ATOM 0 HG23 ILE A 668 1.370 2.926 2.948 1.00 0.87 H new ATOM 0 HD11 ILE A 668 0.227 6.582 4.670 1.00 1.73 H new ATOM 0 HD12 ILE A 668 -0.304 6.593 2.972 1.00 1.73 H new ATOM 0 HD13 ILE A 668 -0.378 5.087 3.918 1.00 1.73 H new ATOM 793 N LEU A 669 3.673 2.290 2.205 1.00 0.25 N ATOM 794 CA LEU A 669 4.214 1.259 3.082 1.00 0.29 C ATOM 795 C LEU A 669 5.731 1.393 3.174 1.00 0.30 C ATOM 796 O LEU A 669 6.301 1.279 4.257 1.00 0.37 O ATOM 797 CB LEU A 669 3.809 -0.145 2.610 1.00 0.29 C ATOM 798 CG LEU A 669 3.464 -1.141 3.728 1.00 0.35 C ATOM 799 CD1 LEU A 669 2.858 -2.404 3.139 1.00 0.37 C ATOM 800 CD2 LEU A 669 4.695 -1.485 4.558 1.00 0.39 C ATOM 0 H LEU A 669 3.229 1.941 1.355 1.00 0.25 H new ATOM 0 HA LEU A 669 3.792 1.399 4.077 1.00 0.29 H new ATOM 0 HB2 LEU A 669 2.947 -0.053 1.949 1.00 0.29 H new ATOM 0 HB3 LEU A 669 4.623 -0.559 2.016 1.00 0.29 H new ATOM 0 HG LEU A 669 2.734 -0.670 4.386 1.00 0.35 H new ATOM 0 HD11 LEU A 669 2.618 -3.101 3.942 1.00 0.37 H new ATOM 0 HD12 LEU A 669 1.948 -2.151 2.594 1.00 0.37 H new ATOM 0 HD13 LEU A 669 3.572 -2.867 2.458 1.00 0.37 H new ATOM 0 HD21 LEU A 669 4.420 -2.192 5.341 1.00 0.39 H new ATOM 0 HD22 LEU A 669 5.454 -1.932 3.916 1.00 0.39 H new ATOM 0 HD23 LEU A 669 5.093 -0.577 5.012 1.00 0.39 H new ATOM 812 N THR A 670 6.384 1.685 2.049 1.00 0.27 N ATOM 813 CA THR A 670 7.816 1.950 2.069 1.00 0.30 C ATOM 814 C THR A 670 8.105 3.234 2.837 1.00 0.33 C ATOM 815 O THR A 670 9.131 3.351 3.493 1.00 0.37 O ATOM 816 CB THR A 670 8.436 2.030 0.653 1.00 0.33 C ATOM 817 OG1 THR A 670 9.796 2.465 0.736 1.00 0.34 O ATOM 818 CG2 THR A 670 7.672 2.975 -0.249 1.00 0.37 C ATOM 0 H THR A 670 5.950 1.743 1.128 1.00 0.27 H new ATOM 0 HA THR A 670 8.283 1.104 2.573 1.00 0.30 H new ATOM 0 HB THR A 670 8.384 1.030 0.223 1.00 0.33 H new ATOM 0 HG1 THR A 670 10.393 1.694 0.633 1.00 0.34 H new ATOM 0 HG21 THR A 670 8.142 3.000 -1.232 1.00 0.37 H new ATOM 0 HG22 THR A 670 6.642 2.631 -0.348 1.00 0.37 H new ATOM 0 HG23 THR A 670 7.680 3.976 0.182 1.00 0.37 H new ATOM 826 N THR A 671 7.184 4.189 2.772 1.00 0.36 N ATOM 827 CA THR A 671 7.299 5.407 3.562 1.00 0.43 C ATOM 828 C THR A 671 7.252 5.088 5.066 1.00 0.45 C ATOM 829 O THR A 671 7.945 5.722 5.863 1.00 0.48 O ATOM 830 CB THR A 671 6.197 6.417 3.177 1.00 0.55 C ATOM 831 OG1 THR A 671 6.321 6.753 1.786 1.00 0.61 O ATOM 832 CG2 THR A 671 6.281 7.686 4.015 1.00 0.64 C ATOM 0 H THR A 671 6.353 4.143 2.183 1.00 0.36 H new ATOM 0 HA THR A 671 8.264 5.864 3.344 1.00 0.43 H new ATOM 0 HB THR A 671 5.230 5.951 3.368 1.00 0.55 H new ATOM 0 HG1 THR A 671 6.106 5.968 1.240 1.00 0.61 H new ATOM 0 HG21 THR A 671 5.490 8.373 3.715 1.00 0.64 H new ATOM 0 HG22 THR A 671 6.163 7.434 5.069 1.00 0.64 H new ATOM 0 HG23 THR A 671 7.250 8.160 3.861 1.00 0.64 H new ATOM 840 N LYS A 672 6.456 4.086 5.443 1.00 0.48 N ATOM 841 CA LYS A 672 6.405 3.618 6.828 1.00 0.58 C ATOM 842 C LYS A 672 7.708 2.916 7.203 1.00 0.51 C ATOM 843 O LYS A 672 8.272 3.154 8.271 1.00 0.56 O ATOM 844 CB LYS A 672 5.236 2.648 7.042 1.00 0.74 C ATOM 845 CG LYS A 672 3.939 3.287 7.525 1.00 1.19 C ATOM 846 CD LYS A 672 3.289 4.158 6.466 1.00 1.39 C ATOM 847 CE LYS A 672 1.825 4.433 6.794 1.00 1.74 C ATOM 848 NZ LYS A 672 1.659 5.209 8.052 1.00 2.10 N ATOM 0 H LYS A 672 5.837 3.583 4.807 1.00 0.48 H new ATOM 0 HA LYS A 672 6.262 4.492 7.464 1.00 0.58 H new ATOM 0 HB2 LYS A 672 5.039 2.130 6.103 1.00 0.74 H new ATOM 0 HB3 LYS A 672 5.541 1.892 7.766 1.00 0.74 H new ATOM 0 HG2 LYS A 672 3.242 2.504 7.825 1.00 1.19 H new ATOM 0 HG3 LYS A 672 4.142 3.889 8.411 1.00 1.19 H new ATOM 0 HD2 LYS A 672 3.829 5.101 6.387 1.00 1.39 H new ATOM 0 HD3 LYS A 672 3.360 3.667 5.495 1.00 1.39 H new ATOM 0 HE2 LYS A 672 1.368 4.981 5.970 1.00 1.74 H new ATOM 0 HE3 LYS A 672 1.292 3.486 6.882 1.00 1.74 H new ATOM 0 HZ1 LYS A 672 0.647 5.369 8.230 1.00 2.10 H new ATOM 0 HZ2 LYS A 672 2.070 4.676 8.845 1.00 2.10 H new ATOM 0 HZ3 LYS A 672 2.144 6.125 7.962 1.00 2.10 H new ATOM 862 N GLU A 673 8.174 2.047 6.312 1.00 0.46 N ATOM 863 CA GLU A 673 9.423 1.319 6.519 1.00 0.54 C ATOM 864 C GLU A 673 10.587 2.294 6.668 1.00 0.40 C ATOM 865 O GLU A 673 11.395 2.189 7.590 1.00 0.38 O ATOM 866 CB GLU A 673 9.691 0.384 5.336 1.00 0.79 C ATOM 867 CG GLU A 673 8.592 -0.641 5.090 1.00 0.39 C ATOM 868 CD GLU A 673 8.554 -1.737 6.133 1.00 0.66 C ATOM 869 OE1 GLU A 673 7.967 -1.511 7.212 1.00 1.22 O ATOM 870 OE2 GLU A 673 9.122 -2.820 5.887 1.00 1.30 O ATOM 0 H GLU A 673 7.703 1.828 5.434 1.00 0.46 H new ATOM 0 HA GLU A 673 9.331 0.730 7.431 1.00 0.54 H new ATOM 0 HB2 GLU A 673 9.821 0.984 4.435 1.00 0.79 H new ATOM 0 HB3 GLU A 673 10.631 -0.141 5.508 1.00 0.79 H new ATOM 0 HG2 GLU A 673 7.628 -0.133 5.071 1.00 0.39 H new ATOM 0 HG3 GLU A 673 8.735 -1.089 4.107 1.00 0.39 H new ATOM 877 N LEU A 674 10.637 3.260 5.761 1.00 0.37 N ATOM 878 CA LEU A 674 11.717 4.231 5.713 1.00 0.38 C ATOM 879 C LEU A 674 11.588 5.247 6.845 1.00 0.38 C ATOM 880 O LEU A 674 12.544 5.948 7.173 1.00 0.44 O ATOM 881 CB LEU A 674 11.712 4.935 4.356 1.00 0.48 C ATOM 882 CG LEU A 674 13.087 5.260 3.772 1.00 0.56 C ATOM 883 CD1 LEU A 674 13.891 3.986 3.570 1.00 0.85 C ATOM 884 CD2 LEU A 674 12.937 6.002 2.454 1.00 1.06 C ATOM 0 H LEU A 674 9.929 3.391 5.038 1.00 0.37 H new ATOM 0 HA LEU A 674 12.665 3.709 5.842 1.00 0.38 H new ATOM 0 HB2 LEU A 674 11.174 4.308 3.644 1.00 0.48 H new ATOM 0 HB3 LEU A 674 11.149 5.864 4.451 1.00 0.48 H new ATOM 0 HG LEU A 674 13.621 5.900 4.475 1.00 0.56 H new ATOM 0 HD11 LEU A 674 14.867 4.234 3.154 1.00 0.85 H new ATOM 0 HD12 LEU A 674 14.022 3.483 4.528 1.00 0.85 H new ATOM 0 HD13 LEU A 674 13.361 3.326 2.883 1.00 0.85 H new ATOM 0 HD21 LEU A 674 13.924 6.227 2.049 1.00 1.06 H new ATOM 0 HD22 LEU A 674 12.388 5.380 1.747 1.00 1.06 H new ATOM 0 HD23 LEU A 674 12.392 6.931 2.620 1.00 1.06 H new ATOM 896 N LYS A 675 10.404 5.327 7.443 1.00 0.39 N ATOM 897 CA LYS A 675 10.211 6.186 8.598 1.00 0.48 C ATOM 898 C LYS A 675 10.743 5.490 9.841 1.00 0.48 C ATOM 899 O LYS A 675 11.320 6.127 10.725 1.00 0.57 O ATOM 900 CB LYS A 675 8.737 6.563 8.777 1.00 0.59 C ATOM 901 CG LYS A 675 8.512 7.589 9.875 1.00 1.04 C ATOM 902 CD LYS A 675 7.094 8.128 9.867 1.00 1.53 C ATOM 903 CE LYS A 675 6.911 9.194 10.936 1.00 2.44 C ATOM 904 NZ LYS A 675 5.576 9.843 10.861 1.00 3.00 N ATOM 0 H LYS A 675 9.574 4.812 7.149 1.00 0.39 H new ATOM 0 HA LYS A 675 10.764 7.112 8.438 1.00 0.48 H new ATOM 0 HB2 LYS A 675 8.352 6.957 7.836 1.00 0.59 H new ATOM 0 HB3 LYS A 675 8.164 5.664 9.005 1.00 0.59 H new ATOM 0 HG2 LYS A 675 8.722 7.135 10.844 1.00 1.04 H new ATOM 0 HG3 LYS A 675 9.214 8.413 9.750 1.00 1.04 H new ATOM 0 HD2 LYS A 675 6.866 8.547 8.887 1.00 1.53 H new ATOM 0 HD3 LYS A 675 6.390 7.313 10.037 1.00 1.53 H new ATOM 0 HE2 LYS A 675 7.039 8.744 11.921 1.00 2.44 H new ATOM 0 HE3 LYS A 675 7.688 9.951 10.828 1.00 2.44 H new ATOM 0 HZ1 LYS A 675 5.497 10.562 11.608 1.00 3.00 H new ATOM 0 HZ2 LYS A 675 5.462 10.296 9.932 1.00 3.00 H new ATOM 0 HZ3 LYS A 675 4.834 9.126 10.990 1.00 3.00 H new ATOM 918 N LYS A 676 10.563 4.171 9.897 1.00 0.43 N ATOM 919 CA LYS A 676 11.145 3.377 10.969 1.00 0.48 C ATOM 920 C LYS A 676 12.667 3.430 10.889 1.00 0.42 C ATOM 921 O LYS A 676 13.346 3.626 11.899 1.00 0.50 O ATOM 922 CB LYS A 676 10.662 1.925 10.916 1.00 0.55 C ATOM 923 CG LYS A 676 9.200 1.752 11.306 1.00 1.42 C ATOM 924 CD LYS A 676 8.844 0.287 11.510 1.00 1.94 C ATOM 925 CE LYS A 676 8.814 -0.480 10.199 1.00 2.50 C ATOM 926 NZ LYS A 676 7.620 -0.141 9.382 1.00 3.41 N ATOM 0 H LYS A 676 10.023 3.636 9.217 1.00 0.43 H new ATOM 0 HA LYS A 676 10.819 3.801 11.919 1.00 0.48 H new ATOM 0 HB2 LYS A 676 10.808 1.539 9.907 1.00 0.55 H new ATOM 0 HB3 LYS A 676 11.280 1.321 11.580 1.00 0.55 H new ATOM 0 HG2 LYS A 676 8.999 2.307 12.223 1.00 1.42 H new ATOM 0 HG3 LYS A 676 8.563 2.177 10.530 1.00 1.42 H new ATOM 0 HD2 LYS A 676 9.569 -0.172 12.182 1.00 1.94 H new ATOM 0 HD3 LYS A 676 7.870 0.215 11.995 1.00 1.94 H new ATOM 0 HE2 LYS A 676 9.717 -0.260 9.630 1.00 2.50 H new ATOM 0 HE3 LYS A 676 8.820 -1.550 10.405 1.00 2.50 H new ATOM 0 HZ1 LYS A 676 7.585 -0.758 8.546 1.00 3.41 H new ATOM 0 HZ2 LYS A 676 6.760 -0.279 9.950 1.00 3.41 H new ATOM 0 HZ3 LYS A 676 7.678 0.852 9.077 1.00 3.41 H new ATOM 940 N ASP A 677 13.196 3.269 9.681 1.00 0.37 N ATOM 941 CA ASP A 677 14.625 3.420 9.436 1.00 0.44 C ATOM 942 C ASP A 677 14.857 3.954 8.029 1.00 0.38 C ATOM 943 O ASP A 677 14.276 3.455 7.068 1.00 0.33 O ATOM 944 CB ASP A 677 15.365 2.098 9.620 1.00 0.60 C ATOM 945 CG ASP A 677 16.828 2.223 9.254 1.00 1.40 C ATOM 946 OD1 ASP A 677 17.578 2.888 9.995 1.00 1.68 O ATOM 947 OD2 ASP A 677 17.232 1.671 8.213 1.00 2.13 O ATOM 0 H ASP A 677 12.652 3.032 8.851 1.00 0.37 H new ATOM 0 HA ASP A 677 15.018 4.129 10.164 1.00 0.44 H new ATOM 0 HB2 ASP A 677 15.275 1.771 10.656 1.00 0.60 H new ATOM 0 HB3 ASP A 677 14.899 1.330 9.002 1.00 0.60 H new ATOM 952 N SER A 678 15.717 4.956 7.908 1.00 0.47 N ATOM 953 CA SER A 678 15.905 5.656 6.646 1.00 0.52 C ATOM 954 C SER A 678 16.783 4.865 5.678 1.00 0.47 C ATOM 955 O SER A 678 16.925 5.236 4.518 1.00 0.52 O ATOM 956 CB SER A 678 16.500 7.040 6.900 1.00 0.72 C ATOM 957 OG SER A 678 17.669 6.957 7.701 1.00 0.83 O ATOM 0 H SER A 678 16.297 5.303 8.672 1.00 0.47 H new ATOM 0 HA SER A 678 14.927 5.765 6.178 1.00 0.52 H new ATOM 0 HB2 SER A 678 16.741 7.515 5.949 1.00 0.72 H new ATOM 0 HB3 SER A 678 15.761 7.671 7.394 1.00 0.72 H new ATOM 0 HG SER A 678 18.030 7.856 7.847 1.00 0.83 H new ATOM 963 N SER A 679 17.364 3.776 6.149 1.00 0.45 N ATOM 964 CA SER A 679 18.181 2.923 5.298 1.00 0.48 C ATOM 965 C SER A 679 17.524 1.556 5.155 1.00 0.42 C ATOM 966 O SER A 679 18.195 0.530 5.013 1.00 0.58 O ATOM 967 CB SER A 679 19.593 2.796 5.877 1.00 0.64 C ATOM 968 OG SER A 679 19.562 2.372 7.231 1.00 1.54 O ATOM 0 H SER A 679 17.287 3.460 7.116 1.00 0.45 H new ATOM 0 HA SER A 679 18.261 3.372 4.308 1.00 0.48 H new ATOM 0 HB2 SER A 679 20.168 2.084 5.285 1.00 0.64 H new ATOM 0 HB3 SER A 679 20.104 3.756 5.807 1.00 0.64 H new ATOM 0 HG SER A 679 18.641 2.155 7.485 1.00 1.54 H new ATOM 974 N ARG A 680 16.197 1.564 5.180 1.00 0.35 N ATOM 975 CA ARG A 680 15.416 0.343 5.186 1.00 0.45 C ATOM 976 C ARG A 680 15.396 -0.284 3.801 1.00 0.34 C ATOM 977 O ARG A 680 14.756 0.234 2.892 1.00 0.34 O ATOM 978 CB ARG A 680 13.988 0.651 5.634 1.00 0.64 C ATOM 979 CG ARG A 680 13.394 -0.374 6.587 1.00 0.66 C ATOM 980 CD ARG A 680 13.248 -1.744 5.947 1.00 1.09 C ATOM 981 NE ARG A 680 12.634 -2.700 6.863 1.00 1.07 N ATOM 982 CZ ARG A 680 12.703 -4.023 6.728 1.00 1.63 C ATOM 983 NH1 ARG A 680 13.335 -4.565 5.690 1.00 2.62 N ATOM 984 NH2 ARG A 680 12.129 -4.811 7.626 1.00 1.71 N ATOM 0 H ARG A 680 15.637 2.417 5.197 1.00 0.35 H new ATOM 0 HA ARG A 680 15.873 -0.362 5.880 1.00 0.45 H new ATOM 0 HB2 ARG A 680 13.974 1.628 6.116 1.00 0.64 H new ATOM 0 HB3 ARG A 680 13.351 0.722 4.752 1.00 0.64 H new ATOM 0 HG2 ARG A 680 14.027 -0.454 7.470 1.00 0.66 H new ATOM 0 HG3 ARG A 680 12.417 -0.028 6.925 1.00 0.66 H new ATOM 0 HD2 ARG A 680 12.642 -1.662 5.045 1.00 1.09 H new ATOM 0 HD3 ARG A 680 14.228 -2.110 5.641 1.00 1.09 H new ATOM 0 HE ARG A 680 12.117 -2.330 7.661 1.00 1.07 H new ATOM 0 HH11 ARG A 680 13.772 -3.966 4.989 1.00 2.62 H new ATOM 0 HH12 ARG A 680 13.383 -5.579 5.595 1.00 2.62 H new ATOM 0 HH21 ARG A 680 11.635 -4.404 8.420 1.00 1.71 H new ATOM 0 HH22 ARG A 680 12.182 -5.824 7.523 1.00 1.71 H new ATOM 998 N ALA A 681 16.103 -1.389 3.650 1.00 0.36 N ATOM 999 CA ALA A 681 16.115 -2.118 2.394 1.00 0.31 C ATOM 1000 C ALA A 681 14.926 -3.065 2.324 1.00 0.27 C ATOM 1001 O ALA A 681 14.508 -3.629 3.341 1.00 0.34 O ATOM 1002 CB ALA A 681 17.423 -2.877 2.239 1.00 0.40 C ATOM 0 H ALA A 681 16.678 -1.803 4.384 1.00 0.36 H new ATOM 0 HA ALA A 681 16.034 -1.407 1.572 1.00 0.31 H new ATOM 0 HB1 ALA A 681 17.419 -3.419 1.293 1.00 0.40 H new ATOM 0 HB2 ALA A 681 18.255 -2.173 2.250 1.00 0.40 H new ATOM 0 HB3 ALA A 681 17.534 -3.583 3.062 1.00 0.40 H new ATOM 1008 N PRO A 682 14.352 -3.231 1.127 1.00 0.24 N ATOM 1009 CA PRO A 682 13.195 -4.102 0.916 1.00 0.23 C ATOM 1010 C PRO A 682 13.550 -5.572 1.083 1.00 0.25 C ATOM 1011 O PRO A 682 14.579 -6.024 0.575 1.00 0.31 O ATOM 1012 CB PRO A 682 12.779 -3.825 -0.538 1.00 0.27 C ATOM 1013 CG PRO A 682 13.539 -2.611 -0.956 1.00 0.29 C ATOM 1014 CD PRO A 682 14.783 -2.585 -0.120 1.00 0.31 C ATOM 0 HA PRO A 682 12.406 -3.902 1.641 1.00 0.23 H new ATOM 0 HB2 PRO A 682 13.014 -4.674 -1.180 1.00 0.27 H new ATOM 0 HB3 PRO A 682 11.704 -3.658 -0.612 1.00 0.27 H new ATOM 0 HG2 PRO A 682 13.784 -2.652 -2.017 1.00 0.29 H new ATOM 0 HG3 PRO A 682 12.947 -1.709 -0.801 1.00 0.29 H new ATOM 0 HD2 PRO A 682 15.601 -3.128 -0.595 1.00 0.31 H new ATOM 0 HD3 PRO A 682 15.133 -1.567 0.052 1.00 0.31 H new ATOM 1022 N PRO A 683 12.724 -6.336 1.818 1.00 0.25 N ATOM 1023 CA PRO A 683 12.884 -7.785 1.909 1.00 0.27 C ATOM 1024 C PRO A 683 12.669 -8.441 0.552 1.00 0.29 C ATOM 1025 O PRO A 683 12.043 -7.850 -0.327 1.00 0.38 O ATOM 1026 CB PRO A 683 11.801 -8.219 2.902 1.00 0.32 C ATOM 1027 CG PRO A 683 10.806 -7.113 2.889 1.00 0.38 C ATOM 1028 CD PRO A 683 11.585 -5.856 2.622 1.00 0.28 C ATOM 0 HA PRO A 683 13.885 -8.075 2.228 1.00 0.27 H new ATOM 0 HB2 PRO A 683 11.346 -9.163 2.603 1.00 0.32 H new ATOM 0 HB3 PRO A 683 12.215 -8.366 3.899 1.00 0.32 H new ATOM 0 HG2 PRO A 683 10.052 -7.276 2.119 1.00 0.38 H new ATOM 0 HG3 PRO A 683 10.280 -7.051 3.842 1.00 0.38 H new ATOM 0 HD2 PRO A 683 10.990 -5.120 2.081 1.00 0.28 H new ATOM 0 HD3 PRO A 683 11.915 -5.382 3.546 1.00 0.28 H new ATOM 1036 N ASP A 684 13.205 -9.639 0.383 1.00 0.37 N ATOM 1037 CA ASP A 684 13.157 -10.343 -0.897 1.00 0.47 C ATOM 1038 C ASP A 684 11.735 -10.413 -1.448 1.00 0.37 C ATOM 1039 O ASP A 684 11.412 -9.776 -2.450 1.00 0.40 O ATOM 1040 CB ASP A 684 13.721 -11.758 -0.741 1.00 0.70 C ATOM 1041 CG ASP A 684 15.171 -11.762 -0.302 1.00 1.52 C ATOM 1042 OD1 ASP A 684 15.456 -11.329 0.832 1.00 2.24 O ATOM 1043 OD2 ASP A 684 16.038 -12.192 -1.096 1.00 2.04 O ATOM 0 H ASP A 684 13.684 -10.152 1.123 1.00 0.37 H new ATOM 0 HA ASP A 684 13.766 -9.782 -1.606 1.00 0.47 H new ATOM 0 HB2 ASP A 684 13.123 -12.305 -0.012 1.00 0.70 H new ATOM 0 HB3 ASP A 684 13.631 -12.288 -1.689 1.00 0.70 H new ATOM 1048 N ASP A 685 10.899 -11.191 -0.782 1.00 0.36 N ATOM 1049 CA ASP A 685 9.512 -11.379 -1.196 1.00 0.39 C ATOM 1050 C ASP A 685 8.624 -11.491 0.022 1.00 0.34 C ATOM 1051 O ASP A 685 9.097 -11.429 1.159 1.00 0.31 O ATOM 1052 CB ASP A 685 9.362 -12.637 -2.069 1.00 0.61 C ATOM 1053 CG ASP A 685 9.939 -12.473 -3.464 1.00 1.11 C ATOM 1054 OD1 ASP A 685 9.229 -11.932 -4.343 1.00 1.54 O ATOM 1055 OD2 ASP A 685 11.093 -12.898 -3.695 1.00 1.95 O ATOM 0 H ASP A 685 11.157 -11.710 0.058 1.00 0.36 H new ATOM 0 HA ASP A 685 9.211 -10.514 -1.788 1.00 0.39 H new ATOM 0 HB2 ASP A 685 9.856 -13.474 -1.575 1.00 0.61 H new ATOM 0 HB3 ASP A 685 8.305 -12.892 -2.148 1.00 0.61 H new ATOM 1060 N LEU A 686 7.337 -11.652 -0.225 1.00 0.39 N ATOM 1061 CA LEU A 686 6.358 -11.700 0.839 1.00 0.39 C ATOM 1062 C LEU A 686 6.440 -13.020 1.597 1.00 0.40 C ATOM 1063 O LEU A 686 5.859 -14.027 1.184 1.00 0.47 O ATOM 1064 CB LEU A 686 4.959 -11.515 0.259 1.00 0.51 C ATOM 1065 CG LEU A 686 3.928 -10.960 1.233 1.00 0.50 C ATOM 1066 CD1 LEU A 686 4.335 -9.565 1.675 1.00 1.27 C ATOM 1067 CD2 LEU A 686 2.548 -10.944 0.594 1.00 0.94 C ATOM 0 H LEU A 686 6.946 -11.752 -1.162 1.00 0.39 H new ATOM 0 HA LEU A 686 6.569 -10.893 1.540 1.00 0.39 H new ATOM 0 HB2 LEU A 686 5.023 -10.846 -0.599 1.00 0.51 H new ATOM 0 HB3 LEU A 686 4.605 -12.477 -0.112 1.00 0.51 H new ATOM 0 HG LEU A 686 3.885 -11.605 2.111 1.00 0.50 H new ATOM 0 HD11 LEU A 686 3.594 -9.173 2.372 1.00 1.27 H new ATOM 0 HD12 LEU A 686 5.307 -9.608 2.166 1.00 1.27 H new ATOM 0 HD13 LEU A 686 4.397 -8.911 0.805 1.00 1.27 H new ATOM 0 HD21 LEU A 686 1.823 -10.545 1.303 1.00 0.94 H new ATOM 0 HD22 LEU A 686 2.567 -10.317 -0.297 1.00 0.94 H new ATOM 0 HD23 LEU A 686 2.263 -11.959 0.317 1.00 0.94 H new ATOM 1079 N THR A 687 7.176 -13.007 2.697 1.00 0.40 N ATOM 1080 CA THR A 687 7.275 -14.160 3.574 1.00 0.47 C ATOM 1081 C THR A 687 6.057 -14.222 4.485 1.00 0.42 C ATOM 1082 O THR A 687 5.228 -13.319 4.450 1.00 0.46 O ATOM 1083 CB THR A 687 8.556 -14.088 4.427 1.00 0.58 C ATOM 1084 OG1 THR A 687 8.647 -12.801 5.057 1.00 0.76 O ATOM 1085 CG2 THR A 687 9.792 -14.325 3.572 1.00 1.00 C ATOM 0 H THR A 687 7.719 -12.200 3.005 1.00 0.40 H new ATOM 0 HA THR A 687 7.316 -15.059 2.958 1.00 0.47 H new ATOM 0 HB THR A 687 8.506 -14.867 5.187 1.00 0.58 H new ATOM 0 HG1 THR A 687 9.462 -12.759 5.600 1.00 0.76 H new ATOM 0 HG21 THR A 687 10.683 -14.269 4.197 1.00 1.00 H new ATOM 0 HG22 THR A 687 9.733 -15.311 3.112 1.00 1.00 H new ATOM 0 HG23 THR A 687 9.847 -13.564 2.793 1.00 1.00 H new ATOM 1093 N LYS A 688 5.935 -15.265 5.294 1.00 0.42 N ATOM 1094 CA LYS A 688 4.780 -15.403 6.176 1.00 0.41 C ATOM 1095 C LYS A 688 4.675 -14.219 7.135 1.00 0.35 C ATOM 1096 O LYS A 688 3.589 -13.669 7.343 1.00 0.34 O ATOM 1097 CB LYS A 688 4.845 -16.718 6.957 1.00 0.54 C ATOM 1098 CG LYS A 688 4.769 -17.946 6.064 1.00 1.39 C ATOM 1099 CD LYS A 688 4.721 -19.237 6.869 1.00 1.84 C ATOM 1100 CE LYS A 688 5.993 -19.455 7.672 1.00 2.44 C ATOM 1101 NZ LYS A 688 5.983 -20.766 8.369 1.00 2.94 N ATOM 0 H LYS A 688 6.614 -16.023 5.360 1.00 0.42 H new ATOM 0 HA LYS A 688 3.886 -15.416 5.552 1.00 0.41 H new ATOM 0 HB2 LYS A 688 5.773 -16.749 7.529 1.00 0.54 H new ATOM 0 HB3 LYS A 688 4.026 -16.748 7.676 1.00 0.54 H new ATOM 0 HG2 LYS A 688 3.883 -17.880 5.432 1.00 1.39 H new ATOM 0 HG3 LYS A 688 5.633 -17.965 5.400 1.00 1.39 H new ATOM 0 HD2 LYS A 688 3.866 -19.212 7.544 1.00 1.84 H new ATOM 0 HD3 LYS A 688 4.569 -20.080 6.194 1.00 1.84 H new ATOM 0 HE2 LYS A 688 6.856 -19.402 7.008 1.00 2.44 H new ATOM 0 HE3 LYS A 688 6.104 -18.654 8.403 1.00 2.44 H new ATOM 0 HZ1 LYS A 688 6.866 -20.880 8.906 1.00 2.94 H new ATOM 0 HZ2 LYS A 688 5.173 -20.807 9.020 1.00 2.94 H new ATOM 0 HZ3 LYS A 688 5.903 -21.531 7.669 1.00 2.94 H new ATOM 1115 N GLY A 689 5.810 -13.814 7.694 1.00 0.43 N ATOM 1116 CA GLY A 689 5.828 -12.694 8.610 1.00 0.48 C ATOM 1117 C GLY A 689 5.521 -11.382 7.918 1.00 0.39 C ATOM 1118 O GLY A 689 4.802 -10.539 8.456 1.00 0.44 O ATOM 0 H GLY A 689 6.720 -14.244 7.527 1.00 0.43 H new ATOM 0 HA2 GLY A 689 5.099 -12.864 9.403 1.00 0.48 H new ATOM 0 HA3 GLY A 689 6.807 -12.632 9.085 1.00 0.48 H new ATOM 1122 N LYS A 690 6.056 -11.206 6.715 1.00 0.37 N ATOM 1123 CA LYS A 690 5.831 -9.981 5.969 1.00 0.34 C ATOM 1124 C LYS A 690 4.402 -9.952 5.438 1.00 0.23 C ATOM 1125 O LYS A 690 3.747 -8.913 5.456 1.00 0.24 O ATOM 1126 CB LYS A 690 6.831 -9.850 4.817 1.00 0.48 C ATOM 1127 CG LYS A 690 7.011 -8.417 4.333 1.00 0.73 C ATOM 1128 CD LYS A 690 7.594 -7.543 5.432 1.00 0.83 C ATOM 1129 CE LYS A 690 7.826 -6.111 4.973 1.00 0.84 C ATOM 1130 NZ LYS A 690 8.545 -5.321 6.007 1.00 0.95 N ATOM 0 H LYS A 690 6.644 -11.892 6.241 1.00 0.37 H new ATOM 0 HA LYS A 690 5.979 -9.135 6.640 1.00 0.34 H new ATOM 0 HB2 LYS A 690 7.796 -10.242 5.137 1.00 0.48 H new ATOM 0 HB3 LYS A 690 6.497 -10.468 3.984 1.00 0.48 H new ATOM 0 HG2 LYS A 690 7.668 -8.402 3.464 1.00 0.73 H new ATOM 0 HG3 LYS A 690 6.050 -8.014 4.013 1.00 0.73 H new ATOM 0 HD2 LYS A 690 6.919 -7.542 6.288 1.00 0.83 H new ATOM 0 HD3 LYS A 690 8.538 -7.971 5.770 1.00 0.83 H new ATOM 0 HE2 LYS A 690 8.402 -6.112 4.048 1.00 0.84 H new ATOM 0 HE3 LYS A 690 6.869 -5.638 4.752 1.00 0.84 H new ATOM 0 HZ1 LYS A 690 8.823 -4.401 5.610 1.00 0.95 H new ATOM 0 HZ2 LYS A 690 7.921 -5.171 6.825 1.00 0.95 H new ATOM 0 HZ3 LYS A 690 9.395 -5.838 6.310 1.00 0.95 H new ATOM 1144 N ARG A 691 3.928 -11.108 4.985 1.00 0.24 N ATOM 1145 CA ARG A 691 2.565 -11.257 4.487 1.00 0.26 C ATOM 1146 C ARG A 691 1.559 -10.843 5.545 1.00 0.28 C ATOM 1147 O ARG A 691 0.640 -10.075 5.270 1.00 0.34 O ATOM 1148 CB ARG A 691 2.309 -12.709 4.068 1.00 0.40 C ATOM 1149 CG ARG A 691 0.846 -13.024 3.791 1.00 0.53 C ATOM 1150 CD ARG A 691 0.639 -14.495 3.467 1.00 0.76 C ATOM 1151 NE ARG A 691 -0.779 -14.857 3.480 1.00 1.38 N ATOM 1152 CZ ARG A 691 -1.269 -15.995 2.996 1.00 1.90 C ATOM 1153 NH1 ARG A 691 -0.470 -16.884 2.419 1.00 2.02 N ATOM 1154 NH2 ARG A 691 -2.571 -16.237 3.088 1.00 2.83 N ATOM 0 H ARG A 691 4.477 -11.967 4.953 1.00 0.24 H new ATOM 0 HA ARG A 691 2.447 -10.608 3.619 1.00 0.26 H new ATOM 0 HB2 ARG A 691 2.893 -12.927 3.174 1.00 0.40 H new ATOM 0 HB3 ARG A 691 2.671 -13.372 4.854 1.00 0.40 H new ATOM 0 HG2 ARG A 691 0.245 -12.755 4.660 1.00 0.53 H new ATOM 0 HG3 ARG A 691 0.494 -12.415 2.958 1.00 0.53 H new ATOM 0 HD2 ARG A 691 1.062 -14.715 2.487 1.00 0.76 H new ATOM 0 HD3 ARG A 691 1.178 -15.107 4.191 1.00 0.76 H new ATOM 0 HE ARG A 691 -1.436 -14.192 3.888 1.00 1.38 H new ATOM 0 HH11 ARG A 691 0.530 -16.698 2.343 1.00 2.02 H new ATOM 0 HH12 ARG A 691 -0.856 -17.754 2.051 1.00 2.02 H new ATOM 0 HH21 ARG A 691 -3.187 -15.553 3.527 1.00 2.83 H new ATOM 0 HH22 ARG A 691 -2.955 -17.107 2.720 1.00 2.83 H new ATOM 1168 N HIS A 692 1.745 -11.347 6.757 1.00 0.31 N ATOM 1169 CA HIS A 692 0.837 -11.047 7.852 1.00 0.41 C ATOM 1170 C HIS A 692 0.836 -9.550 8.133 1.00 0.40 C ATOM 1171 O HIS A 692 -0.205 -8.960 8.412 1.00 0.48 O ATOM 1172 CB HIS A 692 1.249 -11.821 9.107 1.00 0.54 C ATOM 1173 CG HIS A 692 0.130 -12.033 10.080 1.00 0.90 C ATOM 1174 ND1 HIS A 692 0.118 -11.518 11.360 1.00 1.60 N ATOM 1175 CD2 HIS A 692 -1.017 -12.738 9.954 1.00 1.58 C ATOM 1176 CE1 HIS A 692 -0.986 -11.901 11.974 1.00 1.90 C ATOM 1177 NE2 HIS A 692 -1.693 -12.643 11.142 1.00 1.83 N ATOM 0 H HIS A 692 2.517 -11.966 7.006 1.00 0.31 H new ATOM 0 HA HIS A 692 -0.170 -11.353 7.569 1.00 0.41 H new ATOM 0 HB2 HIS A 692 1.649 -12.791 8.810 1.00 0.54 H new ATOM 0 HB3 HIS A 692 2.055 -11.283 9.606 1.00 0.54 H new ATOM 0 HD2 HIS A 692 -1.341 -13.278 9.077 1.00 1.58 H new ATOM 0 HE1 HIS A 692 -1.264 -11.650 12.987 1.00 1.90 H new ATOM 0 HE2 HIS A 692 -2.594 -13.074 11.349 1.00 1.83 H new ATOM 1186 N LYS A 693 2.017 -8.950 8.042 1.00 0.34 N ATOM 1187 CA LYS A 693 2.181 -7.525 8.295 1.00 0.38 C ATOM 1188 C LYS A 693 1.536 -6.676 7.193 1.00 0.30 C ATOM 1189 O LYS A 693 0.765 -5.761 7.484 1.00 0.35 O ATOM 1190 CB LYS A 693 3.671 -7.198 8.424 1.00 0.45 C ATOM 1191 CG LYS A 693 3.954 -5.781 8.897 1.00 1.15 C ATOM 1192 CD LYS A 693 5.439 -5.556 9.178 1.00 1.51 C ATOM 1193 CE LYS A 693 5.898 -6.217 10.479 1.00 1.69 C ATOM 1194 NZ LYS A 693 5.954 -7.703 10.391 1.00 1.99 N ATOM 0 H LYS A 693 2.880 -9.433 7.793 1.00 0.34 H new ATOM 0 HA LYS A 693 1.673 -7.281 9.228 1.00 0.38 H new ATOM 0 HB2 LYS A 693 4.128 -7.901 9.121 1.00 0.45 H new ATOM 0 HB3 LYS A 693 4.151 -7.350 7.457 1.00 0.45 H new ATOM 0 HG2 LYS A 693 3.617 -5.072 8.140 1.00 1.15 H new ATOM 0 HG3 LYS A 693 3.380 -5.579 9.801 1.00 1.15 H new ATOM 0 HD2 LYS A 693 6.026 -5.950 8.348 1.00 1.51 H new ATOM 0 HD3 LYS A 693 5.637 -4.485 9.229 1.00 1.51 H new ATOM 0 HE2 LYS A 693 6.885 -5.837 10.744 1.00 1.69 H new ATOM 0 HE3 LYS A 693 5.220 -5.932 11.283 1.00 1.69 H new ATOM 0 HZ1 LYS A 693 6.760 -8.054 10.946 1.00 1.99 H new ATOM 0 HZ2 LYS A 693 5.073 -8.107 10.768 1.00 1.99 H new ATOM 0 HZ3 LYS A 693 6.068 -7.988 9.397 1.00 1.99 H new ATOM 1208 N VAL A 694 1.838 -6.984 5.930 1.00 0.22 N ATOM 1209 CA VAL A 694 1.322 -6.192 4.812 1.00 0.20 C ATOM 1210 C VAL A 694 -0.186 -6.394 4.644 1.00 0.22 C ATOM 1211 O VAL A 694 -0.909 -5.457 4.308 1.00 0.25 O ATOM 1212 CB VAL A 694 2.043 -6.501 3.478 1.00 0.19 C ATOM 1213 CG1 VAL A 694 3.543 -6.289 3.617 1.00 0.24 C ATOM 1214 CG2 VAL A 694 1.733 -7.906 2.989 1.00 0.19 C ATOM 0 H VAL A 694 2.431 -7.768 5.657 1.00 0.22 H new ATOM 0 HA VAL A 694 1.521 -5.150 5.061 1.00 0.20 H new ATOM 0 HB VAL A 694 1.667 -5.805 2.728 1.00 0.19 H new ATOM 0 HG11 VAL A 694 4.031 -6.512 2.668 1.00 0.24 H new ATOM 0 HG12 VAL A 694 3.740 -5.253 3.892 1.00 0.24 H new ATOM 0 HG13 VAL A 694 3.934 -6.950 4.390 1.00 0.24 H new ATOM 0 HG21 VAL A 694 2.256 -8.088 2.050 1.00 0.19 H new ATOM 0 HG22 VAL A 694 2.061 -8.631 3.734 1.00 0.19 H new ATOM 0 HG23 VAL A 694 0.659 -8.008 2.832 1.00 0.19 H new ATOM 1224 N LYS A 695 -0.658 -7.615 4.897 1.00 0.22 N ATOM 1225 CA LYS A 695 -2.080 -7.922 4.802 1.00 0.27 C ATOM 1226 C LYS A 695 -2.861 -7.216 5.902 1.00 0.31 C ATOM 1227 O LYS A 695 -3.978 -6.756 5.680 1.00 0.36 O ATOM 1228 CB LYS A 695 -2.324 -9.428 4.873 1.00 0.30 C ATOM 1229 CG LYS A 695 -2.321 -10.094 3.508 1.00 0.98 C ATOM 1230 CD LYS A 695 -3.350 -9.447 2.599 1.00 1.59 C ATOM 1231 CE LYS A 695 -3.482 -10.174 1.273 1.00 2.05 C ATOM 1232 NZ LYS A 695 -4.023 -11.550 1.433 1.00 2.49 N ATOM 0 H LYS A 695 -0.074 -8.406 5.169 1.00 0.22 H new ATOM 0 HA LYS A 695 -2.431 -7.561 3.835 1.00 0.27 H new ATOM 0 HB2 LYS A 695 -1.556 -9.886 5.496 1.00 0.30 H new ATOM 0 HB3 LYS A 695 -3.282 -9.613 5.359 1.00 0.30 H new ATOM 0 HG2 LYS A 695 -1.330 -10.015 3.060 1.00 0.98 H new ATOM 0 HG3 LYS A 695 -2.538 -11.157 3.615 1.00 0.98 H new ATOM 0 HD2 LYS A 695 -4.317 -9.432 3.101 1.00 1.59 H new ATOM 0 HD3 LYS A 695 -3.070 -8.410 2.416 1.00 1.59 H new ATOM 0 HE2 LYS A 695 -4.135 -9.604 0.613 1.00 2.05 H new ATOM 0 HE3 LYS A 695 -2.506 -10.224 0.790 1.00 2.05 H new ATOM 0 HZ1 LYS A 695 -4.285 -11.930 0.501 1.00 2.49 H new ATOM 0 HZ2 LYS A 695 -3.299 -12.160 1.865 1.00 2.49 H new ATOM 0 HZ3 LYS A 695 -4.863 -11.524 2.045 1.00 2.49 H new ATOM 1246 N GLU A 696 -2.272 -7.127 7.087 1.00 0.34 N ATOM 1247 CA GLU A 696 -2.909 -6.434 8.198 1.00 0.43 C ATOM 1248 C GLU A 696 -2.947 -4.933 7.926 1.00 0.36 C ATOM 1249 O GLU A 696 -3.932 -4.253 8.234 1.00 0.39 O ATOM 1250 CB GLU A 696 -2.166 -6.717 9.505 1.00 0.55 C ATOM 1251 CG GLU A 696 -2.771 -6.022 10.709 1.00 1.22 C ATOM 1252 CD GLU A 696 -2.038 -6.348 11.991 1.00 1.97 C ATOM 1253 OE1 GLU A 696 -0.936 -5.807 12.201 1.00 2.62 O ATOM 1254 OE2 GLU A 696 -2.559 -7.152 12.790 1.00 2.45 O ATOM 0 H GLU A 696 -1.358 -7.524 7.303 1.00 0.34 H new ATOM 0 HA GLU A 696 -3.931 -6.801 8.297 1.00 0.43 H new ATOM 0 HB2 GLU A 696 -2.157 -7.792 9.683 1.00 0.55 H new ATOM 0 HB3 GLU A 696 -1.128 -6.403 9.398 1.00 0.55 H new ATOM 0 HG2 GLU A 696 -2.755 -4.944 10.549 1.00 1.22 H new ATOM 0 HG3 GLU A 696 -3.816 -6.315 10.807 1.00 1.22 H new ATOM 1261 N PHE A 697 -1.866 -4.426 7.343 1.00 0.31 N ATOM 1262 CA PHE A 697 -1.780 -3.025 6.961 1.00 0.31 C ATOM 1263 C PHE A 697 -2.834 -2.698 5.909 1.00 0.27 C ATOM 1264 O PHE A 697 -3.577 -1.723 6.042 1.00 0.30 O ATOM 1265 CB PHE A 697 -0.373 -2.708 6.432 1.00 0.37 C ATOM 1266 CG PHE A 697 -0.233 -1.332 5.845 1.00 0.36 C ATOM 1267 CD1 PHE A 697 -0.008 -0.236 6.658 1.00 0.52 C ATOM 1268 CD2 PHE A 697 -0.326 -1.142 4.477 1.00 0.30 C ATOM 1269 CE1 PHE A 697 0.121 1.028 6.114 1.00 0.59 C ATOM 1270 CE2 PHE A 697 -0.199 0.117 3.928 1.00 0.34 C ATOM 1271 CZ PHE A 697 0.025 1.204 4.747 1.00 0.49 C ATOM 0 H PHE A 697 -1.032 -4.971 7.124 1.00 0.31 H new ATOM 0 HA PHE A 697 -1.968 -2.408 7.839 1.00 0.31 H new ATOM 0 HB2 PHE A 697 0.343 -2.818 7.247 1.00 0.37 H new ATOM 0 HB3 PHE A 697 -0.108 -3.444 5.673 1.00 0.37 H new ATOM 0 HD1 PHE A 697 0.068 -0.369 7.727 1.00 0.52 H new ATOM 0 HD2 PHE A 697 -0.500 -1.990 3.831 1.00 0.30 H new ATOM 0 HE1 PHE A 697 0.297 1.878 6.757 1.00 0.59 H new ATOM 0 HE2 PHE A 697 -0.275 0.251 2.859 1.00 0.34 H new ATOM 0 HZ PHE A 697 0.125 2.191 4.320 1.00 0.49 H new ATOM 1281 N ILE A 698 -2.910 -3.529 4.876 1.00 0.24 N ATOM 1282 CA ILE A 698 -3.840 -3.300 3.784 1.00 0.24 C ATOM 1283 C ILE A 698 -5.285 -3.526 4.232 1.00 0.25 C ATOM 1284 O ILE A 698 -6.182 -2.834 3.779 1.00 0.29 O ATOM 1285 CB ILE A 698 -3.516 -4.160 2.534 1.00 0.26 C ATOM 1286 CG1 ILE A 698 -4.346 -3.694 1.340 1.00 0.38 C ATOM 1287 CG2 ILE A 698 -3.768 -5.636 2.794 1.00 0.31 C ATOM 1288 CD1 ILE A 698 -4.217 -2.218 1.060 1.00 1.25 C ATOM 0 H ILE A 698 -2.337 -4.367 4.774 1.00 0.24 H new ATOM 0 HA ILE A 698 -3.724 -2.256 3.494 1.00 0.24 H new ATOM 0 HB ILE A 698 -2.457 -4.031 2.309 1.00 0.26 H new ATOM 0 HG12 ILE A 698 -4.041 -4.252 0.455 1.00 0.38 H new ATOM 0 HG13 ILE A 698 -5.394 -3.932 1.521 1.00 0.38 H new ATOM 0 HG21 ILE A 698 -3.531 -6.209 1.898 1.00 0.31 H new ATOM 0 HG22 ILE A 698 -3.138 -5.973 3.617 1.00 0.31 H new ATOM 0 HG23 ILE A 698 -4.816 -5.786 3.054 1.00 0.31 H new ATOM 0 HD11 ILE A 698 -4.833 -1.956 0.200 1.00 1.25 H new ATOM 0 HD12 ILE A 698 -4.550 -1.652 1.930 1.00 1.25 H new ATOM 0 HD13 ILE A 698 -3.175 -1.978 0.848 1.00 1.25 H new ATOM 1300 N ASN A 699 -5.504 -4.486 5.123 1.00 0.26 N ATOM 1301 CA ASN A 699 -6.850 -4.780 5.621 1.00 0.31 C ATOM 1302 C ASN A 699 -7.528 -3.520 6.175 1.00 0.33 C ATOM 1303 O ASN A 699 -8.633 -3.157 5.757 1.00 0.37 O ATOM 1304 CB ASN A 699 -6.764 -5.860 6.706 1.00 0.35 C ATOM 1305 CG ASN A 699 -8.070 -6.076 7.441 1.00 0.42 C ATOM 1306 OD1 ASN A 699 -8.899 -6.893 7.040 1.00 0.49 O ATOM 1307 ND2 ASN A 699 -8.256 -5.349 8.529 1.00 0.47 N ATOM 0 H ASN A 699 -4.771 -5.075 5.517 1.00 0.26 H new ATOM 0 HA ASN A 699 -7.457 -5.142 4.791 1.00 0.31 H new ATOM 0 HB2 ASN A 699 -6.452 -6.800 6.250 1.00 0.35 H new ATOM 0 HB3 ASN A 699 -5.992 -5.583 7.424 1.00 0.35 H new ATOM 0 HD21 ASN A 699 -9.113 -5.454 9.072 1.00 0.47 H new ATOM 0 HD22 ASN A 699 -7.542 -4.683 8.826 1.00 0.47 H new ATOM 1314 N SER A 700 -6.846 -2.832 7.082 1.00 0.34 N ATOM 1315 CA SER A 700 -7.365 -1.586 7.633 1.00 0.39 C ATOM 1316 C SER A 700 -7.321 -0.478 6.581 1.00 0.38 C ATOM 1317 O SER A 700 -8.197 0.386 6.534 1.00 0.45 O ATOM 1318 CB SER A 700 -6.562 -1.179 8.869 1.00 0.44 C ATOM 1319 OG SER A 700 -7.116 -0.031 9.493 1.00 1.42 O ATOM 0 H SER A 700 -5.937 -3.113 7.450 1.00 0.34 H new ATOM 0 HA SER A 700 -8.403 -1.742 7.927 1.00 0.39 H new ATOM 0 HB2 SER A 700 -6.540 -2.006 9.579 1.00 0.44 H new ATOM 0 HB3 SER A 700 -5.530 -0.977 8.583 1.00 0.44 H new ATOM 0 HG SER A 700 -6.582 0.203 10.280 1.00 1.42 H new ATOM 1325 N TYR A 701 -6.297 -0.521 5.731 1.00 0.33 N ATOM 1326 CA TYR A 701 -6.149 0.441 4.642 1.00 0.36 C ATOM 1327 C TYR A 701 -7.414 0.461 3.777 1.00 0.35 C ATOM 1328 O TYR A 701 -7.971 1.521 3.493 1.00 0.42 O ATOM 1329 CB TYR A 701 -4.923 0.063 3.800 1.00 0.38 C ATOM 1330 CG TYR A 701 -4.520 1.078 2.756 1.00 0.45 C ATOM 1331 CD1 TYR A 701 -5.186 1.149 1.540 1.00 1.37 C ATOM 1332 CD2 TYR A 701 -3.483 1.969 2.989 1.00 0.95 C ATOM 1333 CE1 TYR A 701 -4.827 2.078 0.585 1.00 1.43 C ATOM 1334 CE2 TYR A 701 -3.120 2.901 2.042 1.00 0.98 C ATOM 1335 CZ TYR A 701 -3.767 2.936 0.835 1.00 0.65 C ATOM 1336 OH TYR A 701 -3.428 3.875 -0.109 1.00 0.75 O ATOM 0 H TYR A 701 -5.553 -1.217 5.777 1.00 0.33 H new ATOM 0 HA TYR A 701 -6.006 1.440 5.054 1.00 0.36 H new ATOM 0 HB2 TYR A 701 -4.079 -0.100 4.470 1.00 0.38 H new ATOM 0 HB3 TYR A 701 -5.123 -0.886 3.303 1.00 0.38 H new ATOM 0 HD1 TYR A 701 -5.998 0.466 1.338 1.00 1.37 H new ATOM 0 HD2 TYR A 701 -2.951 1.931 3.928 1.00 0.95 H new ATOM 0 HE1 TYR A 701 -5.367 2.136 -0.349 1.00 1.43 H new ATOM 0 HE2 TYR A 701 -2.326 3.603 2.251 1.00 0.98 H new ATOM 0 HH TYR A 701 -2.840 4.547 0.295 1.00 0.75 H new ATOM 1346 N MET A 702 -7.871 -0.729 3.398 1.00 0.31 N ATOM 1347 CA MET A 702 -9.080 -0.900 2.596 1.00 0.36 C ATOM 1348 C MET A 702 -10.279 -0.287 3.292 1.00 0.42 C ATOM 1349 O MET A 702 -11.059 0.449 2.684 1.00 0.48 O ATOM 1350 CB MET A 702 -9.349 -2.381 2.377 1.00 0.44 C ATOM 1351 CG MET A 702 -8.229 -3.085 1.655 1.00 0.56 C ATOM 1352 SD MET A 702 -8.473 -4.857 1.548 1.00 0.87 S ATOM 1353 CE MET A 702 -7.095 -5.274 0.493 1.00 1.08 C ATOM 0 H MET A 702 -7.411 -1.607 3.640 1.00 0.31 H new ATOM 0 HA MET A 702 -8.925 -0.400 1.640 1.00 0.36 H new ATOM 0 HB2 MET A 702 -9.510 -2.862 3.342 1.00 0.44 H new ATOM 0 HB3 MET A 702 -10.270 -2.496 1.806 1.00 0.44 H new ATOM 0 HG2 MET A 702 -8.137 -2.675 0.649 1.00 0.56 H new ATOM 0 HG3 MET A 702 -7.289 -2.883 2.169 1.00 0.56 H new ATOM 0 HE1 MET A 702 -7.465 -5.724 -0.428 1.00 1.08 H new ATOM 0 HE2 MET A 702 -6.532 -4.371 0.255 1.00 1.08 H new ATOM 0 HE3 MET A 702 -6.445 -5.982 1.007 1.00 1.08 H new ATOM 1363 N ASP A 703 -10.400 -0.594 4.581 1.00 0.46 N ATOM 1364 CA ASP A 703 -11.512 -0.122 5.399 1.00 0.59 C ATOM 1365 C ASP A 703 -11.648 1.395 5.331 1.00 0.64 C ATOM 1366 O ASP A 703 -12.756 1.928 5.256 1.00 0.77 O ATOM 1367 CB ASP A 703 -11.305 -0.550 6.854 1.00 0.66 C ATOM 1368 CG ASP A 703 -12.359 0.020 7.780 1.00 0.93 C ATOM 1369 OD1 ASP A 703 -13.524 -0.418 7.696 1.00 1.11 O ATOM 1370 OD2 ASP A 703 -12.031 0.915 8.588 1.00 1.06 O ATOM 0 H ASP A 703 -9.731 -1.176 5.086 1.00 0.46 H new ATOM 0 HA ASP A 703 -12.427 -0.566 5.008 1.00 0.59 H new ATOM 0 HB2 ASP A 703 -11.322 -1.638 6.915 1.00 0.66 H new ATOM 0 HB3 ASP A 703 -10.319 -0.227 7.188 1.00 0.66 H new ATOM 1375 N LYS A 704 -10.513 2.084 5.327 1.00 0.58 N ATOM 1376 CA LYS A 704 -10.501 3.541 5.334 1.00 0.66 C ATOM 1377 C LYS A 704 -10.837 4.119 3.959 1.00 0.66 C ATOM 1378 O LYS A 704 -11.434 5.192 3.868 1.00 0.76 O ATOM 1379 CB LYS A 704 -9.150 4.063 5.831 1.00 0.69 C ATOM 1380 CG LYS A 704 -9.216 4.694 7.218 1.00 1.15 C ATOM 1381 CD LYS A 704 -9.817 3.745 8.253 1.00 1.49 C ATOM 1382 CE LYS A 704 -8.931 2.530 8.492 1.00 2.15 C ATOM 1383 NZ LYS A 704 -9.561 1.548 9.414 1.00 2.95 N ATOM 0 H LYS A 704 -9.587 1.656 5.319 1.00 0.58 H new ATOM 0 HA LYS A 704 -11.278 3.875 6.022 1.00 0.66 H new ATOM 0 HB2 LYS A 704 -8.435 3.240 5.848 1.00 0.69 H new ATOM 0 HB3 LYS A 704 -8.771 4.800 5.123 1.00 0.69 H new ATOM 0 HG2 LYS A 704 -8.213 4.984 7.532 1.00 1.15 H new ATOM 0 HG3 LYS A 704 -9.812 5.605 7.173 1.00 1.15 H new ATOM 0 HD2 LYS A 704 -9.963 4.278 9.192 1.00 1.49 H new ATOM 0 HD3 LYS A 704 -10.800 3.417 7.916 1.00 1.49 H new ATOM 0 HE2 LYS A 704 -8.717 2.046 7.539 1.00 2.15 H new ATOM 0 HE3 LYS A 704 -7.976 2.854 8.906 1.00 2.15 H new ATOM 0 HZ1 LYS A 704 -8.872 0.807 9.655 1.00 2.95 H new ATOM 0 HZ2 LYS A 704 -9.866 2.033 10.282 1.00 2.95 H new ATOM 0 HZ3 LYS A 704 -10.386 1.117 8.951 1.00 2.95 H new ATOM 1397 N ILE A 705 -10.476 3.409 2.890 1.00 0.58 N ATOM 1398 CA ILE A 705 -10.764 3.885 1.544 1.00 0.64 C ATOM 1399 C ILE A 705 -12.257 3.759 1.277 1.00 0.70 C ATOM 1400 O ILE A 705 -12.877 4.640 0.679 1.00 0.83 O ATOM 1401 CB ILE A 705 -9.983 3.103 0.464 1.00 0.60 C ATOM 1402 CG1 ILE A 705 -8.488 3.054 0.792 1.00 0.60 C ATOM 1403 CG2 ILE A 705 -10.194 3.738 -0.902 1.00 0.68 C ATOM 1404 CD1 ILE A 705 -7.831 4.417 0.879 1.00 0.66 C ATOM 0 H ILE A 705 -9.990 2.513 2.932 1.00 0.58 H new ATOM 0 HA ILE A 705 -10.448 4.927 1.487 1.00 0.64 H new ATOM 0 HB ILE A 705 -10.363 2.082 0.447 1.00 0.60 H new ATOM 0 HG12 ILE A 705 -8.351 2.535 1.741 1.00 0.60 H new ATOM 0 HG13 ILE A 705 -7.978 2.464 0.030 1.00 0.60 H new ATOM 0 HG21 ILE A 705 -9.638 3.177 -1.654 1.00 0.68 H new ATOM 0 HG22 ILE A 705 -11.255 3.724 -1.150 1.00 0.68 H new ATOM 0 HG23 ILE A 705 -9.840 4.769 -0.883 1.00 0.68 H new ATOM 0 HD11 ILE A 705 -6.774 4.297 1.115 1.00 0.66 H new ATOM 0 HD12 ILE A 705 -7.934 4.932 -0.076 1.00 0.66 H new ATOM 0 HD13 ILE A 705 -8.313 5.004 1.661 1.00 0.66 H new ATOM 1416 N ILE A 706 -12.831 2.660 1.750 1.00 0.67 N ATOM 1417 CA ILE A 706 -14.262 2.447 1.651 1.00 0.79 C ATOM 1418 C ILE A 706 -14.984 3.464 2.521 1.00 0.99 C ATOM 1419 O ILE A 706 -15.990 4.050 2.118 1.00 1.17 O ATOM 1420 CB ILE A 706 -14.648 1.024 2.105 1.00 0.83 C ATOM 1421 CG1 ILE A 706 -13.867 -0.018 1.304 1.00 1.18 C ATOM 1422 CG2 ILE A 706 -16.145 0.803 1.954 1.00 1.43 C ATOM 1423 CD1 ILE A 706 -14.077 -1.435 1.787 1.00 1.75 C ATOM 0 H ILE A 706 -12.322 1.903 2.207 1.00 0.67 H new ATOM 0 HA ILE A 706 -14.554 2.566 0.608 1.00 0.79 H new ATOM 0 HB ILE A 706 -14.392 0.914 3.159 1.00 0.83 H new ATOM 0 HG12 ILE A 706 -14.160 0.047 0.256 1.00 1.18 H new ATOM 0 HG13 ILE A 706 -12.804 0.220 1.353 1.00 1.18 H new ATOM 0 HG21 ILE A 706 -16.398 -0.206 2.279 1.00 1.43 H new ATOM 0 HG22 ILE A 706 -16.683 1.527 2.566 1.00 1.43 H new ATOM 0 HG23 ILE A 706 -16.428 0.929 0.909 1.00 1.43 H new ATOM 0 HD11 ILE A 706 -13.492 -2.119 1.172 1.00 1.75 H new ATOM 0 HD12 ILE A 706 -13.757 -1.517 2.826 1.00 1.75 H new ATOM 0 HD13 ILE A 706 -15.134 -1.692 1.712 1.00 1.75 H new ATOM 1435 N LEU A 707 -14.429 3.685 3.709 1.00 0.99 N ATOM 1436 CA LEU A 707 -14.986 4.616 4.679 1.00 1.22 C ATOM 1437 C LEU A 707 -15.147 6.007 4.076 1.00 1.39 C ATOM 1438 O LEU A 707 -16.240 6.567 4.083 1.00 1.62 O ATOM 1439 CB LEU A 707 -14.075 4.685 5.910 1.00 1.24 C ATOM 1440 CG LEU A 707 -14.581 5.559 7.060 1.00 1.44 C ATOM 1441 CD1 LEU A 707 -15.860 4.982 7.647 1.00 1.86 C ATOM 1442 CD2 LEU A 707 -13.510 5.694 8.132 1.00 1.79 C ATOM 0 H LEU A 707 -13.577 3.221 4.025 1.00 0.99 H new ATOM 0 HA LEU A 707 -15.972 4.256 4.972 1.00 1.22 H new ATOM 0 HB2 LEU A 707 -13.925 3.673 6.286 1.00 1.24 H new ATOM 0 HB3 LEU A 707 -13.099 5.057 5.597 1.00 1.24 H new ATOM 0 HG LEU A 707 -14.804 6.552 6.669 1.00 1.44 H new ATOM 0 HD11 LEU A 707 -16.205 5.617 8.463 1.00 1.86 H new ATOM 0 HD12 LEU A 707 -16.627 4.937 6.874 1.00 1.86 H new ATOM 0 HD13 LEU A 707 -15.666 3.978 8.025 1.00 1.86 H new ATOM 0 HD21 LEU A 707 -13.884 6.318 8.943 1.00 1.79 H new ATOM 0 HD22 LEU A 707 -13.257 4.707 8.520 1.00 1.79 H new ATOM 0 HD23 LEU A 707 -12.620 6.153 7.702 1.00 1.79 H new ATOM 1454 N LYS A 708 -14.066 6.543 3.521 1.00 1.36 N ATOM 1455 CA LYS A 708 -14.075 7.900 2.984 1.00 1.61 C ATOM 1456 C LYS A 708 -15.031 8.029 1.807 1.00 1.71 C ATOM 1457 O LYS A 708 -15.603 9.096 1.576 1.00 1.96 O ATOM 1458 CB LYS A 708 -12.668 8.321 2.555 1.00 1.69 C ATOM 1459 CG LYS A 708 -11.666 8.353 3.695 1.00 1.91 C ATOM 1460 CD LYS A 708 -12.152 9.232 4.836 1.00 2.31 C ATOM 1461 CE LYS A 708 -11.076 9.413 5.893 1.00 3.09 C ATOM 1462 NZ LYS A 708 -9.924 10.209 5.385 1.00 3.45 N ATOM 0 H LYS A 708 -13.172 6.060 3.431 1.00 1.36 H new ATOM 0 HA LYS A 708 -14.420 8.561 3.779 1.00 1.61 H new ATOM 0 HB2 LYS A 708 -12.311 7.634 1.788 1.00 1.69 H new ATOM 0 HB3 LYS A 708 -12.717 9.310 2.099 1.00 1.69 H new ATOM 0 HG2 LYS A 708 -11.496 7.340 4.061 1.00 1.91 H new ATOM 0 HG3 LYS A 708 -10.709 8.725 3.330 1.00 1.91 H new ATOM 0 HD2 LYS A 708 -12.449 10.206 4.446 1.00 2.31 H new ATOM 0 HD3 LYS A 708 -13.038 8.786 5.289 1.00 2.31 H new ATOM 0 HE2 LYS A 708 -11.503 9.909 6.764 1.00 3.09 H new ATOM 0 HE3 LYS A 708 -10.724 8.436 6.223 1.00 3.09 H new ATOM 0 HZ1 LYS A 708 -9.350 10.540 6.187 1.00 3.45 H new ATOM 0 HZ2 LYS A 708 -9.340 9.615 4.762 1.00 3.45 H new ATOM 0 HZ3 LYS A 708 -10.277 11.029 4.851 1.00 3.45 H new ATOM 1476 N LYS A 709 -15.206 6.941 1.072 1.00 1.59 N ATOM 1477 CA LYS A 709 -16.075 6.943 -0.093 1.00 1.75 C ATOM 1478 C LYS A 709 -17.545 6.925 0.326 1.00 1.84 C ATOM 1479 O LYS A 709 -18.349 7.727 -0.154 1.00 2.04 O ATOM 1480 CB LYS A 709 -15.760 5.738 -0.993 1.00 1.78 C ATOM 1481 CG LYS A 709 -16.486 5.757 -2.331 1.00 1.96 C ATOM 1482 CD LYS A 709 -16.110 6.983 -3.150 1.00 2.22 C ATOM 1483 CE LYS A 709 -16.920 7.078 -4.432 1.00 2.67 C ATOM 1484 NZ LYS A 709 -16.544 6.039 -5.430 1.00 2.96 N ATOM 0 H LYS A 709 -14.757 6.045 1.263 1.00 1.59 H new ATOM 0 HA LYS A 709 -15.893 7.859 -0.656 1.00 1.75 H new ATOM 0 HB2 LYS A 709 -14.686 5.704 -1.175 1.00 1.78 H new ATOM 0 HB3 LYS A 709 -16.022 4.823 -0.462 1.00 1.78 H new ATOM 0 HG2 LYS A 709 -16.242 4.855 -2.892 1.00 1.96 H new ATOM 0 HG3 LYS A 709 -17.563 5.747 -2.162 1.00 1.96 H new ATOM 0 HD2 LYS A 709 -16.269 7.881 -2.553 1.00 2.22 H new ATOM 0 HD3 LYS A 709 -15.048 6.945 -3.393 1.00 2.22 H new ATOM 0 HE2 LYS A 709 -17.980 6.981 -4.195 1.00 2.67 H new ATOM 0 HE3 LYS A 709 -16.781 8.065 -4.872 1.00 2.67 H new ATOM 0 HZ1 LYS A 709 -17.261 6.005 -6.183 1.00 2.96 H new ATOM 0 HZ2 LYS A 709 -15.619 6.273 -5.843 1.00 2.96 H new ATOM 0 HZ3 LYS A 709 -16.489 5.112 -4.962 1.00 2.96 H new ATOM 1498 N LYS A 710 -17.887 6.029 1.245 1.00 1.77 N ATOM 1499 CA LYS A 710 -19.279 5.834 1.637 1.00 1.96 C ATOM 1500 C LYS A 710 -19.754 6.906 2.613 1.00 2.10 C ATOM 1501 O LYS A 710 -20.927 7.267 2.609 1.00 2.31 O ATOM 1502 CB LYS A 710 -19.478 4.447 2.249 1.00 1.90 C ATOM 1503 CG LYS A 710 -18.701 4.219 3.533 1.00 2.40 C ATOM 1504 CD LYS A 710 -18.970 2.842 4.098 1.00 2.55 C ATOM 1505 CE LYS A 710 -18.193 2.607 5.379 1.00 3.16 C ATOM 1506 NZ LYS A 710 -18.513 1.290 5.979 1.00 3.66 N ATOM 0 H LYS A 710 -17.222 5.428 1.732 1.00 1.77 H new ATOM 0 HA LYS A 710 -19.880 5.917 0.732 1.00 1.96 H new ATOM 0 HB2 LYS A 710 -20.539 4.298 2.448 1.00 1.90 H new ATOM 0 HB3 LYS A 710 -19.182 3.694 1.519 1.00 1.90 H new ATOM 0 HG2 LYS A 710 -17.634 4.334 3.341 1.00 2.40 H new ATOM 0 HG3 LYS A 710 -18.976 4.976 4.267 1.00 2.40 H new ATOM 0 HD2 LYS A 710 -20.037 2.729 4.292 1.00 2.55 H new ATOM 0 HD3 LYS A 710 -18.698 2.086 3.362 1.00 2.55 H new ATOM 0 HE2 LYS A 710 -17.124 2.663 5.172 1.00 3.16 H new ATOM 0 HE3 LYS A 710 -18.421 3.398 6.094 1.00 3.16 H new ATOM 0 HZ1 LYS A 710 -17.963 1.164 6.853 1.00 3.66 H new ATOM 0 HZ2 LYS A 710 -19.528 1.246 6.199 1.00 3.66 H new ATOM 0 HZ3 LYS A 710 -18.272 0.534 5.306 1.00 3.66 H new ATOM 1520 N GLN A 711 -18.855 7.420 3.448 1.00 2.06 N ATOM 1521 CA GLN A 711 -19.232 8.451 4.411 1.00 2.30 C ATOM 1522 C GLN A 711 -19.513 9.769 3.704 1.00 2.41 C ATOM 1523 O GLN A 711 -20.128 10.672 4.274 1.00 2.60 O ATOM 1524 CB GLN A 711 -18.158 8.644 5.486 1.00 2.35 C ATOM 1525 CG GLN A 711 -18.001 7.444 6.410 1.00 2.85 C ATOM 1526 CD GLN A 711 -19.323 6.961 6.972 1.00 2.83 C ATOM 1527 OE1 GLN A 711 -19.983 6.110 6.378 1.00 3.24 O ATOM 1528 NE2 GLN A 711 -19.717 7.492 8.116 1.00 3.08 N ATOM 0 H GLN A 711 -17.873 7.145 3.478 1.00 2.06 H new ATOM 0 HA GLN A 711 -20.142 8.115 4.907 1.00 2.30 H new ATOM 0 HB2 GLN A 711 -17.203 8.847 5.002 1.00 2.35 H new ATOM 0 HB3 GLN A 711 -18.406 9.522 6.083 1.00 2.35 H new ATOM 0 HG2 GLN A 711 -17.524 6.630 5.864 1.00 2.85 H new ATOM 0 HG3 GLN A 711 -17.336 7.708 7.232 1.00 2.85 H new ATOM 0 HE21 GLN A 711 -19.140 8.196 8.577 1.00 3.08 H new ATOM 0 HE22 GLN A 711 -20.598 7.198 8.538 1.00 3.08 H new ATOM 1537 N LYS A 712 -19.061 9.878 2.462 1.00 2.33 N ATOM 1538 CA LYS A 712 -19.365 11.038 1.649 1.00 2.48 C ATOM 1539 C LYS A 712 -20.678 10.797 0.928 1.00 2.58 C ATOM 1540 O LYS A 712 -21.619 11.576 1.042 1.00 2.73 O ATOM 1541 CB LYS A 712 -18.247 11.304 0.637 1.00 2.48 C ATOM 1542 CG LYS A 712 -18.562 12.434 -0.334 1.00 2.81 C ATOM 1543 CD LYS A 712 -17.468 12.605 -1.377 1.00 3.09 C ATOM 1544 CE LYS A 712 -16.197 13.188 -0.778 1.00 3.70 C ATOM 1545 NZ LYS A 712 -16.394 14.583 -0.303 1.00 3.99 N ATOM 0 H LYS A 712 -18.483 9.176 2.000 1.00 2.33 H new ATOM 0 HA LYS A 712 -19.448 11.915 2.291 1.00 2.48 H new ATOM 0 HB2 LYS A 712 -17.330 11.543 1.175 1.00 2.48 H new ATOM 0 HB3 LYS A 712 -18.056 10.392 0.071 1.00 2.48 H new ATOM 0 HG2 LYS A 712 -19.510 12.231 -0.832 1.00 2.81 H new ATOM 0 HG3 LYS A 712 -18.685 13.365 0.219 1.00 2.81 H new ATOM 0 HD2 LYS A 712 -17.245 11.639 -1.831 1.00 3.09 H new ATOM 0 HD3 LYS A 712 -17.825 13.257 -2.174 1.00 3.09 H new ATOM 0 HE2 LYS A 712 -15.869 12.565 0.054 1.00 3.70 H new ATOM 0 HE3 LYS A 712 -15.402 13.168 -1.524 1.00 3.70 H new ATOM 0 HZ1 LYS A 712 -15.468 15.028 -0.141 1.00 3.99 H new ATOM 0 HZ2 LYS A 712 -16.917 15.124 -1.021 1.00 3.99 H new ATOM 0 HZ3 LYS A 712 -16.934 14.574 0.586 1.00 3.99 H new ATOM 1559 N LYS A 713 -20.744 9.680 0.221 1.00 2.59 N ATOM 1560 CA LYS A 713 -21.909 9.372 -0.592 1.00 2.82 C ATOM 1561 C LYS A 713 -22.491 8.011 -0.220 1.00 2.96 C ATOM 1562 O LYS A 713 -22.272 7.008 -0.899 1.00 3.27 O ATOM 1563 CB LYS A 713 -21.548 9.432 -2.079 1.00 2.96 C ATOM 1564 CG LYS A 713 -22.731 9.214 -3.009 1.00 2.84 C ATOM 1565 CD LYS A 713 -22.429 9.693 -4.420 1.00 3.24 C ATOM 1566 CE LYS A 713 -21.213 9.001 -5.014 1.00 3.92 C ATOM 1567 NZ LYS A 713 -20.877 9.544 -6.356 1.00 4.32 N ATOM 0 H LYS A 713 -20.008 8.975 0.194 1.00 2.59 H new ATOM 0 HA LYS A 713 -22.676 10.121 -0.396 1.00 2.82 H new ATOM 0 HB2 LYS A 713 -21.102 10.403 -2.296 1.00 2.96 H new ATOM 0 HB3 LYS A 713 -20.789 8.678 -2.289 1.00 2.96 H new ATOM 0 HG2 LYS A 713 -22.987 8.155 -3.031 1.00 2.84 H new ATOM 0 HG3 LYS A 713 -23.601 9.745 -2.622 1.00 2.84 H new ATOM 0 HD2 LYS A 713 -23.295 9.512 -5.056 1.00 3.24 H new ATOM 0 HD3 LYS A 713 -22.262 10.770 -4.408 1.00 3.24 H new ATOM 0 HE2 LYS A 713 -20.360 9.125 -4.346 1.00 3.92 H new ATOM 0 HE3 LYS A 713 -21.404 7.931 -5.091 1.00 3.92 H new ATOM 0 HZ1 LYS A 713 -20.043 9.049 -6.732 1.00 4.32 H new ATOM 0 HZ2 LYS A 713 -21.682 9.403 -6.999 1.00 4.32 H new ATOM 0 HZ3 LYS A 713 -20.671 10.560 -6.278 1.00 4.32 H new ATOM 1581 N ALA A 714 -23.216 7.990 0.888 1.00 2.93 N ATOM 1582 CA ALA A 714 -23.948 6.804 1.306 1.00 3.15 C ATOM 1583 C ALA A 714 -25.312 6.774 0.631 1.00 3.81 C ATOM 1584 O ALA A 714 -26.036 5.778 0.688 1.00 4.20 O ATOM 1585 CB ALA A 714 -24.102 6.784 2.818 1.00 3.12 C ATOM 0 H ALA A 714 -23.313 8.787 1.518 1.00 2.93 H new ATOM 0 HA ALA A 714 -23.388 5.918 1.007 1.00 3.15 H new ATOM 0 HB1 ALA A 714 -24.652 5.891 3.116 1.00 3.12 H new ATOM 0 HB2 ALA A 714 -23.117 6.776 3.284 1.00 3.12 H new ATOM 0 HB3 ALA A 714 -24.648 7.671 3.140 1.00 3.12 H new TER 1591 ALA A 714