USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 725 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 709 THR OG1 : rot 72:sc= 2.69 USER MOD Set 1.2: A 711 SER OG : rot -94:sc= 1.12 USER MOD Set 1.3: A 745 SER OG : rot 91:sc= 0.923 USER MOD Single : A 679 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.17) USER MOD Single : A 680 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 681 LYS NZ :NH3+ 166:sc= 2.69 (180deg=2.24) USER MOD Single : A 687 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 693 HIS : no HD1:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 694 SER OG : rot 180:sc= 0 USER MOD Single : A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 698 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 704 SER OG : rot 160:sc= -2.83! USER MOD Single : A 705 LYS NZ :NH3+ -153:sc= 2.23 (180deg=-0.0136) USER MOD Single : A 707 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 708 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot -150:sc= -0.237 USER MOD Single : A 718 SER OG : rot -11:sc= -1.27! USER MOD Single : A 719 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.63) USER MOD Single : A 720 SER OG : rot 65:sc= 1.21 USER MOD Single : A 722 HIS : no HD1:sc= 0.546 K(o=0.55,f=-5.7!) USER MOD Single : A 724 LYS NZ :NH3+ 149:sc= 1.16 (180deg=0.628) USER MOD Single : A 727 ASN : amide:sc= -7.5! C(o=-7.5!,f=-12!) USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 ASN : amide:sc= 0.318 K(o=0.32,f=-0.34) USER MOD Single : A 739 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 746 HIS : no HD1:sc= -1.06 K(o=-1.1,f=0.26) USER MOD Single : A 747 SER OG : rot 180:sc= 0 USER MOD Single : A 750 THR OG1 : rot 180:sc= 0.082 USER MOD Single : A 752 SER OG : rot -2:sc= 0.461 USER MOD Single : A 754 SER OG : rot 180:sc= 0 USER MOD Single : A 756 THR OG1 : rot 39:sc= 0.395 USER MOD Single : A 759 CYS SG : rot 54:sc= -0.226 USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 765 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 679 -11.351 8.077 6.953 1.00 0.86 N ATOM 2 CA LYS A 679 -9.905 8.243 7.235 1.00 0.72 C ATOM 3 C LYS A 679 -9.312 6.955 7.820 1.00 0.66 C ATOM 4 O LYS A 679 -8.120 6.680 7.658 1.00 1.02 O ATOM 5 CB LYS A 679 -9.689 9.424 8.199 1.00 0.92 C ATOM 6 CG LYS A 679 -8.266 9.552 8.730 1.00 0.97 C ATOM 7 CD LYS A 679 -7.245 9.588 7.605 1.00 1.12 C ATOM 8 CE LYS A 679 -5.823 9.610 8.141 1.00 1.43 C ATOM 9 NZ LYS A 679 -5.487 10.913 8.776 1.00 2.26 N ATOM 0 HA LYS A 679 -9.391 8.455 6.298 1.00 0.72 H new ATOM 0 HB2 LYS A 679 -9.957 10.348 7.687 1.00 0.92 H new ATOM 0 HB3 LYS A 679 -10.370 9.317 9.043 1.00 0.92 H new ATOM 0 HG2 LYS A 679 -8.181 10.460 9.327 1.00 0.97 H new ATOM 0 HG3 LYS A 679 -8.048 8.714 9.392 1.00 0.97 H new ATOM 0 HD2 LYS A 679 -7.379 8.717 6.963 1.00 1.12 H new ATOM 0 HD3 LYS A 679 -7.415 10.469 6.986 1.00 1.12 H new ATOM 0 HE2 LYS A 679 -5.698 8.809 8.869 1.00 1.43 H new ATOM 0 HE3 LYS A 679 -5.126 9.413 7.327 1.00 1.43 H new ATOM 0 HZ1 LYS A 679 -4.498 10.898 9.098 1.00 2.26 H new ATOM 0 HZ2 LYS A 679 -5.614 11.679 8.084 1.00 2.26 H new ATOM 0 HZ3 LYS A 679 -6.113 11.074 9.590 1.00 2.26 H new ATOM 25 N GLN A 680 -10.140 6.144 8.457 1.00 0.54 N ATOM 26 CA GLN A 680 -9.628 4.990 9.176 1.00 0.71 C ATOM 27 C GLN A 680 -9.838 3.697 8.411 1.00 0.50 C ATOM 28 O GLN A 680 -10.966 3.254 8.202 1.00 0.78 O ATOM 29 CB GLN A 680 -10.294 4.853 10.539 1.00 1.24 C ATOM 30 CG GLN A 680 -10.064 6.027 11.468 1.00 1.84 C ATOM 31 CD GLN A 680 -10.838 5.895 12.763 1.00 2.28 C ATOM 32 OE1 GLN A 680 -11.096 4.788 13.242 1.00 2.61 O ATOM 33 NE2 GLN A 680 -11.221 7.023 13.334 1.00 2.98 N ATOM 0 H GLN A 680 -11.153 6.260 8.491 1.00 0.54 H new ATOM 0 HA GLN A 680 -8.558 5.161 9.296 1.00 0.71 H new ATOM 0 HB2 GLN A 680 -11.367 4.724 10.395 1.00 1.24 H new ATOM 0 HB3 GLN A 680 -9.926 3.947 11.020 1.00 1.24 H new ATOM 0 HG2 GLN A 680 -9.000 6.109 11.690 1.00 1.84 H new ATOM 0 HG3 GLN A 680 -10.356 6.949 10.965 1.00 1.84 H new ATOM 0 HE21 GLN A 680 -10.986 7.918 12.904 1.00 2.98 H new ATOM 0 HE22 GLN A 680 -11.751 6.999 14.205 1.00 2.98 H new ATOM 42 N LYS A 681 -8.739 3.117 7.982 1.00 0.53 N ATOM 43 CA LYS A 681 -8.693 1.729 7.575 1.00 0.44 C ATOM 44 C LYS A 681 -7.252 1.235 7.700 1.00 0.37 C ATOM 45 O LYS A 681 -6.368 1.685 6.972 1.00 0.55 O ATOM 46 CB LYS A 681 -9.255 1.544 6.157 1.00 0.63 C ATOM 47 CG LYS A 681 -8.623 2.438 5.104 1.00 0.67 C ATOM 48 CD LYS A 681 -9.130 2.106 3.722 1.00 0.70 C ATOM 49 CE LYS A 681 -8.902 0.642 3.370 1.00 0.87 C ATOM 50 NZ LYS A 681 -9.812 0.182 2.289 1.00 1.44 N ATOM 0 H LYS A 681 -7.844 3.599 7.905 1.00 0.53 H new ATOM 0 HA LYS A 681 -9.328 1.129 8.227 1.00 0.44 H new ATOM 0 HB2 LYS A 681 -9.120 0.504 5.860 1.00 0.63 H new ATOM 0 HB3 LYS A 681 -10.328 1.733 6.178 1.00 0.63 H new ATOM 0 HG2 LYS A 681 -8.841 3.481 5.332 1.00 0.67 H new ATOM 0 HG3 LYS A 681 -7.539 2.325 5.132 1.00 0.67 H new ATOM 0 HD2 LYS A 681 -10.195 2.332 3.662 1.00 0.70 H new ATOM 0 HD3 LYS A 681 -8.628 2.738 2.990 1.00 0.70 H new ATOM 0 HE2 LYS A 681 -7.867 0.501 3.058 1.00 0.87 H new ATOM 0 HE3 LYS A 681 -9.054 0.028 4.258 1.00 0.87 H new ATOM 0 HZ1 LYS A 681 -9.476 -0.729 1.916 1.00 1.44 H new ATOM 0 HZ2 LYS A 681 -10.773 0.066 2.670 1.00 1.44 H new ATOM 0 HZ3 LYS A 681 -9.825 0.886 1.523 1.00 1.44 H new ATOM 64 N VAL A 682 -7.007 0.342 8.649 1.00 0.33 N ATOM 65 CA VAL A 682 -5.648 -0.079 8.945 1.00 0.35 C ATOM 66 C VAL A 682 -5.251 -1.286 8.103 1.00 0.37 C ATOM 67 O VAL A 682 -5.730 -2.401 8.318 1.00 0.46 O ATOM 68 CB VAL A 682 -5.491 -0.385 10.456 1.00 0.49 C ATOM 69 CG1 VAL A 682 -6.626 -1.265 10.964 1.00 1.36 C ATOM 70 CG2 VAL A 682 -4.148 -1.032 10.744 1.00 1.32 C ATOM 0 H VAL A 682 -7.726 -0.101 9.222 1.00 0.33 H new ATOM 0 HA VAL A 682 -4.976 0.740 8.689 1.00 0.35 H new ATOM 0 HB VAL A 682 -5.536 0.565 10.988 1.00 0.49 H new ATOM 0 HG11 VAL A 682 -6.486 -1.461 12.027 1.00 1.36 H new ATOM 0 HG12 VAL A 682 -7.578 -0.756 10.811 1.00 1.36 H new ATOM 0 HG13 VAL A 682 -6.627 -2.208 10.418 1.00 1.36 H new ATOM 0 HG21 VAL A 682 -4.064 -1.236 11.811 1.00 1.32 H new ATOM 0 HG22 VAL A 682 -4.068 -1.966 10.188 1.00 1.32 H new ATOM 0 HG23 VAL A 682 -3.347 -0.359 10.439 1.00 1.32 H new ATOM 80 N LEU A 683 -4.388 -1.042 7.128 1.00 0.34 N ATOM 81 CA LEU A 683 -3.927 -2.092 6.236 1.00 0.39 C ATOM 82 C LEU A 683 -2.442 -2.369 6.433 1.00 0.38 C ATOM 83 O LEU A 683 -1.611 -1.533 6.071 1.00 0.38 O ATOM 84 CB LEU A 683 -4.173 -1.678 4.784 1.00 0.47 C ATOM 85 CG LEU A 683 -5.554 -1.092 4.507 1.00 0.82 C ATOM 86 CD1 LEU A 683 -5.421 0.274 3.851 1.00 1.44 C ATOM 87 CD2 LEU A 683 -6.363 -2.029 3.628 1.00 1.55 C ATOM 0 H LEU A 683 -3.992 -0.122 6.935 1.00 0.34 H new ATOM 0 HA LEU A 683 -4.483 -3.001 6.467 1.00 0.39 H new ATOM 0 HB2 LEU A 683 -3.419 -0.944 4.498 1.00 0.47 H new ATOM 0 HB3 LEU A 683 -4.029 -2.549 4.144 1.00 0.47 H new ATOM 0 HG LEU A 683 -6.080 -0.974 5.454 1.00 0.82 H new ATOM 0 HD11 LEU A 683 -6.413 0.683 3.658 1.00 1.44 H new ATOM 0 HD12 LEU A 683 -4.875 0.945 4.514 1.00 1.44 H new ATOM 0 HD13 LEU A 683 -4.880 0.175 2.910 1.00 1.44 H new ATOM 0 HD21 LEU A 683 -7.345 -1.595 3.441 1.00 1.55 H new ATOM 0 HD22 LEU A 683 -5.845 -2.177 2.680 1.00 1.55 H new ATOM 0 HD23 LEU A 683 -6.481 -2.989 4.131 1.00 1.55 H new ATOM 99 N PRO A 684 -2.051 -3.505 7.018 1.00 0.41 N ATOM 100 CA PRO A 684 -0.667 -3.919 6.924 1.00 0.40 C ATOM 101 C PRO A 684 -0.433 -4.601 5.583 1.00 0.38 C ATOM 102 O PRO A 684 -1.103 -5.576 5.263 1.00 0.43 O ATOM 103 CB PRO A 684 -0.512 -4.922 8.080 1.00 0.48 C ATOM 104 CG PRO A 684 -1.866 -5.055 8.721 1.00 0.65 C ATOM 105 CD PRO A 684 -2.869 -4.439 7.784 1.00 0.48 C ATOM 0 HA PRO A 684 0.043 -3.095 6.989 1.00 0.40 H new ATOM 0 HB2 PRO A 684 -0.162 -5.886 7.711 1.00 0.48 H new ATOM 0 HB3 PRO A 684 0.225 -4.570 8.802 1.00 0.48 H new ATOM 0 HG2 PRO A 684 -2.104 -6.103 8.903 1.00 0.65 H new ATOM 0 HG3 PRO A 684 -1.884 -4.552 9.688 1.00 0.65 H new ATOM 0 HD2 PRO A 684 -3.339 -5.186 7.144 1.00 0.48 H new ATOM 0 HD3 PRO A 684 -3.669 -3.931 8.322 1.00 0.48 H new ATOM 113 N VAL A 685 0.546 -4.133 4.830 1.00 0.34 N ATOM 114 CA VAL A 685 0.827 -4.702 3.513 1.00 0.33 C ATOM 115 C VAL A 685 2.154 -5.447 3.507 1.00 0.30 C ATOM 116 O VAL A 685 3.060 -5.092 4.261 1.00 0.33 O ATOM 117 CB VAL A 685 0.816 -3.636 2.405 1.00 0.39 C ATOM 118 CG1 VAL A 685 -0.434 -2.773 2.503 1.00 0.45 C ATOM 119 CG2 VAL A 685 2.068 -2.792 2.462 1.00 0.60 C ATOM 0 H VAL A 685 1.160 -3.365 5.101 1.00 0.34 H new ATOM 0 HA VAL A 685 0.025 -5.409 3.303 1.00 0.33 H new ATOM 0 HB VAL A 685 0.799 -4.143 1.440 1.00 0.39 H new ATOM 0 HG11 VAL A 685 -0.423 -2.025 1.710 1.00 0.45 H new ATOM 0 HG12 VAL A 685 -1.319 -3.401 2.397 1.00 0.45 H new ATOM 0 HG13 VAL A 685 -0.457 -2.274 3.472 1.00 0.45 H new ATOM 0 HG21 VAL A 685 2.039 -2.044 1.669 1.00 0.60 H new ATOM 0 HG22 VAL A 685 2.127 -2.293 3.429 1.00 0.60 H new ATOM 0 HG23 VAL A 685 2.942 -3.429 2.329 1.00 0.60 H new ATOM 129 N PHE A 686 2.289 -6.448 2.645 1.00 0.33 N ATOM 130 CA PHE A 686 3.552 -7.173 2.546 1.00 0.37 C ATOM 131 C PHE A 686 4.254 -6.826 1.248 1.00 0.44 C ATOM 132 O PHE A 686 3.915 -7.321 0.184 1.00 0.70 O ATOM 133 CB PHE A 686 3.398 -8.697 2.681 1.00 0.62 C ATOM 134 CG PHE A 686 2.126 -9.295 2.128 1.00 0.92 C ATOM 135 CD1 PHE A 686 1.784 -9.156 0.794 1.00 1.55 C ATOM 136 CD2 PHE A 686 1.289 -10.030 2.953 1.00 1.65 C ATOM 137 CE1 PHE A 686 0.636 -9.733 0.291 1.00 2.32 C ATOM 138 CE2 PHE A 686 0.135 -10.607 2.456 1.00 2.43 C ATOM 139 CZ PHE A 686 -0.191 -10.458 1.123 1.00 2.65 C ATOM 0 H PHE A 686 1.555 -6.772 2.015 1.00 0.33 H new ATOM 0 HA PHE A 686 4.159 -6.852 3.393 1.00 0.37 H new ATOM 0 HB2 PHE A 686 4.243 -9.171 2.183 1.00 0.62 H new ATOM 0 HB3 PHE A 686 3.465 -8.955 3.738 1.00 0.62 H new ATOM 0 HD1 PHE A 686 2.425 -8.587 0.137 1.00 1.55 H new ATOM 0 HD2 PHE A 686 1.541 -10.153 3.996 1.00 1.65 H new ATOM 0 HE1 PHE A 686 0.385 -9.617 -0.753 1.00 2.32 H new ATOM 0 HE2 PHE A 686 -0.511 -11.174 3.110 1.00 2.43 H new ATOM 0 HZ PHE A 686 -1.092 -10.908 0.733 1.00 2.65 H new ATOM 149 N TYR A 687 5.244 -5.974 1.349 1.00 0.46 N ATOM 150 CA TYR A 687 5.902 -5.432 0.183 1.00 0.69 C ATOM 151 C TYR A 687 7.380 -5.755 0.198 1.00 0.50 C ATOM 152 O TYR A 687 8.002 -5.866 1.258 1.00 0.64 O ATOM 153 CB TYR A 687 5.668 -3.931 0.061 1.00 1.33 C ATOM 154 CG TYR A 687 6.202 -3.096 1.205 1.00 2.53 C ATOM 155 CD1 TYR A 687 5.379 -2.724 2.258 1.00 3.44 C ATOM 156 CD2 TYR A 687 7.515 -2.650 1.213 1.00 3.03 C ATOM 157 CE1 TYR A 687 5.848 -1.929 3.284 1.00 4.64 C ATOM 158 CE2 TYR A 687 7.991 -1.864 2.239 1.00 4.21 C ATOM 159 CZ TYR A 687 7.155 -1.503 3.270 1.00 4.97 C ATOM 160 OH TYR A 687 7.626 -0.699 4.283 1.00 6.20 O ATOM 0 H TYR A 687 5.616 -5.637 2.237 1.00 0.46 H new ATOM 0 HA TYR A 687 5.463 -5.904 -0.696 1.00 0.69 H new ATOM 0 HB2 TYR A 687 6.126 -3.583 -0.865 1.00 1.33 H new ATOM 0 HB3 TYR A 687 4.596 -3.753 -0.027 1.00 1.33 H new ATOM 0 HD1 TYR A 687 4.354 -3.062 2.275 1.00 3.44 H new ATOM 0 HD2 TYR A 687 8.174 -2.923 0.402 1.00 3.03 H new ATOM 0 HE1 TYR A 687 5.192 -1.643 4.093 1.00 4.64 H new ATOM 0 HE2 TYR A 687 9.019 -1.532 2.234 1.00 4.21 H new ATOM 0 HH TYR A 687 8.570 -0.489 4.122 1.00 6.20 H new ATOM 170 N PHE A 688 7.944 -5.946 -0.971 1.00 0.57 N ATOM 171 CA PHE A 688 9.341 -6.299 -1.042 1.00 0.60 C ATOM 172 C PHE A 688 10.138 -5.015 -1.029 1.00 0.63 C ATOM 173 O PHE A 688 10.121 -4.230 -1.979 1.00 0.69 O ATOM 174 CB PHE A 688 9.636 -7.109 -2.309 1.00 0.81 C ATOM 175 CG PHE A 688 8.712 -8.278 -2.505 1.00 1.20 C ATOM 176 CD1 PHE A 688 7.675 -8.209 -3.421 1.00 1.75 C ATOM 177 CD2 PHE A 688 8.879 -9.442 -1.774 1.00 1.41 C ATOM 178 CE1 PHE A 688 6.822 -9.279 -3.607 1.00 2.40 C ATOM 179 CE2 PHE A 688 8.029 -10.517 -1.955 1.00 2.00 C ATOM 180 CZ PHE A 688 7.000 -10.434 -2.872 1.00 2.48 C ATOM 0 H PHE A 688 7.468 -5.865 -1.870 1.00 0.57 H new ATOM 0 HA PHE A 688 9.616 -6.924 -0.192 1.00 0.60 H new ATOM 0 HB2 PHE A 688 9.565 -6.451 -3.175 1.00 0.81 H new ATOM 0 HB3 PHE A 688 10.663 -7.472 -2.267 1.00 0.81 H new ATOM 0 HD1 PHE A 688 7.532 -7.307 -3.997 1.00 1.75 H new ATOM 0 HD2 PHE A 688 9.682 -9.511 -1.055 1.00 1.41 H new ATOM 0 HE1 PHE A 688 6.018 -9.212 -4.325 1.00 2.40 H new ATOM 0 HE2 PHE A 688 8.170 -11.420 -1.380 1.00 2.00 H new ATOM 0 HZ PHE A 688 6.334 -11.273 -3.014 1.00 2.48 H new ATOM 190 N ALA A 689 10.827 -4.807 0.082 1.00 0.73 N ATOM 191 CA ALA A 689 11.463 -3.542 0.345 1.00 0.85 C ATOM 192 C ALA A 689 12.811 -3.479 -0.309 1.00 0.81 C ATOM 193 O ALA A 689 13.623 -4.396 -0.193 1.00 0.80 O ATOM 194 CB ALA A 689 11.604 -3.306 1.837 1.00 1.07 C ATOM 0 H ALA A 689 10.956 -5.506 0.814 1.00 0.73 H new ATOM 0 HA ALA A 689 10.831 -2.759 -0.074 1.00 0.85 H new ATOM 0 HB1 ALA A 689 12.087 -2.344 2.009 1.00 1.07 H new ATOM 0 HB2 ALA A 689 10.617 -3.304 2.300 1.00 1.07 H new ATOM 0 HB3 ALA A 689 12.209 -4.100 2.275 1.00 1.07 H new ATOM 200 N ARG A 690 13.049 -2.385 -0.991 1.00 0.87 N ATOM 201 CA ARG A 690 14.327 -2.181 -1.607 1.00 0.87 C ATOM 202 C ARG A 690 15.126 -1.286 -0.693 1.00 0.85 C ATOM 203 O ARG A 690 15.229 -0.071 -0.867 1.00 0.97 O ATOM 204 CB ARG A 690 14.149 -1.553 -2.991 1.00 1.06 C ATOM 205 CG ARG A 690 12.929 -2.068 -3.725 1.00 1.22 C ATOM 206 CD ARG A 690 11.680 -1.402 -3.182 1.00 1.47 C ATOM 207 NE ARG A 690 11.399 -0.149 -3.863 1.00 2.19 N ATOM 208 CZ ARG A 690 11.858 1.042 -3.489 1.00 2.74 C ATOM 209 NH1 ARG A 690 12.635 1.165 -2.417 1.00 2.85 N ATOM 210 NH2 ARG A 690 11.557 2.116 -4.209 1.00 3.57 N ATOM 0 H ARG A 690 12.377 -1.630 -1.130 1.00 0.87 H new ATOM 0 HA ARG A 690 14.851 -3.126 -1.751 1.00 0.87 H new ATOM 0 HB2 ARG A 690 14.072 -0.471 -2.885 1.00 1.06 H new ATOM 0 HB3 ARG A 690 15.037 -1.752 -3.591 1.00 1.06 H new ATOM 0 HG2 ARG A 690 13.024 -1.867 -4.792 1.00 1.22 H new ATOM 0 HG3 ARG A 690 12.854 -3.149 -3.610 1.00 1.22 H new ATOM 0 HD2 ARG A 690 10.830 -2.076 -3.294 1.00 1.47 H new ATOM 0 HD3 ARG A 690 11.801 -1.217 -2.115 1.00 1.47 H new ATOM 0 HE ARG A 690 10.804 -0.186 -4.691 1.00 2.19 H new ATOM 0 HH11 ARG A 690 12.885 0.340 -1.871 1.00 2.85 H new ATOM 0 HH12 ARG A 690 12.981 2.084 -2.140 1.00 2.85 H new ATOM 0 HH21 ARG A 690 10.977 2.025 -5.043 1.00 3.57 H new ATOM 0 HH22 ARG A 690 11.906 3.032 -3.928 1.00 3.57 H new ATOM 224 N GLU A 691 15.630 -1.952 0.305 1.00 0.74 N ATOM 225 CA GLU A 691 16.566 -1.455 1.265 1.00 0.73 C ATOM 226 C GLU A 691 17.916 -2.075 0.938 1.00 0.72 C ATOM 227 O GLU A 691 18.017 -2.766 -0.078 1.00 0.76 O ATOM 228 CB GLU A 691 16.082 -1.759 2.690 1.00 0.70 C ATOM 229 CG GLU A 691 14.913 -0.883 3.124 1.00 0.99 C ATOM 230 CD GLU A 691 14.553 -1.055 4.588 1.00 1.45 C ATOM 231 OE1 GLU A 691 13.558 -1.746 4.885 1.00 1.87 O ATOM 232 OE2 GLU A 691 15.268 -0.498 5.451 1.00 1.98 O ATOM 0 H GLU A 691 15.378 -2.925 0.479 1.00 0.74 H new ATOM 0 HA GLU A 691 16.660 -0.370 1.217 1.00 0.73 H new ATOM 0 HB2 GLU A 691 15.786 -2.806 2.751 1.00 0.70 H new ATOM 0 HB3 GLU A 691 16.910 -1.621 3.386 1.00 0.70 H new ATOM 0 HG2 GLU A 691 15.160 0.162 2.937 1.00 0.99 H new ATOM 0 HG3 GLU A 691 14.043 -1.119 2.512 1.00 0.99 H new ATOM 239 N PRO A 692 18.982 -1.766 1.696 1.00 0.77 N ATOM 240 CA PRO A 692 20.280 -2.486 1.664 1.00 0.85 C ATOM 241 C PRO A 692 20.177 -4.032 1.534 1.00 0.85 C ATOM 242 O PRO A 692 21.187 -4.732 1.586 1.00 1.01 O ATOM 243 CB PRO A 692 20.930 -2.120 3.007 1.00 0.96 C ATOM 244 CG PRO A 692 19.988 -1.172 3.687 1.00 0.96 C ATOM 245 CD PRO A 692 19.062 -0.643 2.630 1.00 0.88 C ATOM 0 HA PRO A 692 20.844 -2.191 0.779 1.00 0.85 H new ATOM 0 HB2 PRO A 692 21.092 -3.010 3.615 1.00 0.96 H new ATOM 0 HB3 PRO A 692 21.905 -1.656 2.854 1.00 0.96 H new ATOM 0 HG2 PRO A 692 19.428 -1.681 4.471 1.00 0.96 H new ATOM 0 HG3 PRO A 692 20.536 -0.358 4.163 1.00 0.96 H new ATOM 0 HD2 PRO A 692 18.085 -0.383 3.038 1.00 0.88 H new ATOM 0 HD3 PRO A 692 19.458 0.254 2.154 1.00 0.88 H new ATOM 253 N HIS A 693 18.951 -4.529 1.389 1.00 0.76 N ATOM 254 CA HIS A 693 18.606 -5.939 1.353 1.00 0.84 C ATOM 255 C HIS A 693 18.631 -6.550 2.723 1.00 0.83 C ATOM 256 O HIS A 693 19.285 -7.556 2.988 1.00 1.01 O ATOM 257 CB HIS A 693 19.462 -6.731 0.359 1.00 1.08 C ATOM 258 CG HIS A 693 18.748 -6.988 -0.936 1.00 1.45 C ATOM 259 ND1 HIS A 693 18.773 -8.202 -1.586 1.00 1.93 N ATOM 260 CD2 HIS A 693 17.964 -6.179 -1.692 1.00 2.20 C ATOM 261 CE1 HIS A 693 18.036 -8.132 -2.678 1.00 2.48 C ATOM 262 NE2 HIS A 693 17.531 -6.916 -2.769 1.00 2.61 N ATOM 0 H HIS A 693 18.135 -3.926 1.289 1.00 0.76 H new ATOM 0 HA HIS A 693 17.581 -5.998 0.988 1.00 0.84 H new ATOM 0 HB2 HIS A 693 20.383 -6.183 0.160 1.00 1.08 H new ATOM 0 HB3 HIS A 693 19.748 -7.682 0.808 1.00 1.08 H new ATOM 0 HD2 HIS A 693 17.724 -5.146 -1.486 1.00 2.20 H new ATOM 0 HE1 HIS A 693 17.873 -8.936 -3.381 1.00 2.48 H new ATOM 0 HE2 HIS A 693 16.921 -6.579 -3.514 1.00 2.61 H new ATOM 271 N SER A 694 17.902 -5.875 3.591 1.00 0.71 N ATOM 272 CA SER A 694 17.361 -6.468 4.781 1.00 0.76 C ATOM 273 C SER A 694 16.201 -7.379 4.364 1.00 0.68 C ATOM 274 O SER A 694 15.934 -7.524 3.168 1.00 0.62 O ATOM 275 CB SER A 694 16.860 -5.370 5.712 1.00 0.82 C ATOM 276 OG SER A 694 17.924 -4.551 6.174 1.00 1.14 O ATOM 0 H SER A 694 17.671 -4.888 3.481 1.00 0.71 H new ATOM 0 HA SER A 694 18.121 -7.046 5.307 1.00 0.76 H new ATOM 0 HB2 SER A 694 16.127 -4.755 5.189 1.00 0.82 H new ATOM 0 HB3 SER A 694 16.349 -5.819 6.564 1.00 0.82 H new ATOM 0 HG SER A 694 17.568 -3.856 6.767 1.00 1.14 H new ATOM 282 N LYS A 695 15.521 -7.989 5.316 1.00 0.75 N ATOM 283 CA LYS A 695 14.389 -8.851 4.989 1.00 0.73 C ATOM 284 C LYS A 695 13.240 -8.039 4.372 1.00 0.59 C ATOM 285 O LYS A 695 13.097 -6.845 4.649 1.00 0.56 O ATOM 286 CB LYS A 695 13.896 -9.606 6.236 1.00 0.91 C ATOM 287 CG LYS A 695 13.151 -8.746 7.256 1.00 1.71 C ATOM 288 CD LYS A 695 14.070 -7.766 7.962 1.00 2.33 C ATOM 289 CE LYS A 695 13.319 -6.929 8.983 1.00 3.33 C ATOM 290 NZ LYS A 695 14.214 -5.949 9.650 1.00 4.08 N ATOM 0 H LYS A 695 15.725 -7.909 6.312 1.00 0.75 H new ATOM 0 HA LYS A 695 14.729 -9.581 4.254 1.00 0.73 H new ATOM 0 HB2 LYS A 695 13.240 -10.416 5.917 1.00 0.91 H new ATOM 0 HB3 LYS A 695 14.754 -10.066 6.727 1.00 0.91 H new ATOM 0 HG2 LYS A 695 12.355 -8.197 6.753 1.00 1.71 H new ATOM 0 HG3 LYS A 695 12.675 -9.392 7.994 1.00 1.71 H new ATOM 0 HD2 LYS A 695 14.872 -8.312 8.458 1.00 2.33 H new ATOM 0 HD3 LYS A 695 14.537 -7.111 7.227 1.00 2.33 H new ATOM 0 HE2 LYS A 695 12.502 -6.401 8.491 1.00 3.33 H new ATOM 0 HE3 LYS A 695 12.871 -7.582 9.732 1.00 3.33 H new ATOM 0 HZ1 LYS A 695 13.669 -5.395 10.341 1.00 4.08 H new ATOM 0 HZ2 LYS A 695 14.979 -6.455 10.139 1.00 4.08 H new ATOM 0 HZ3 LYS A 695 14.621 -5.310 8.938 1.00 4.08 H new ATOM 304 N PRO A 696 12.427 -8.675 3.502 1.00 0.58 N ATOM 305 CA PRO A 696 11.255 -8.034 2.887 1.00 0.49 C ATOM 306 C PRO A 696 10.321 -7.454 3.941 1.00 0.45 C ATOM 307 O PRO A 696 10.079 -8.082 4.975 1.00 0.57 O ATOM 308 CB PRO A 696 10.572 -9.177 2.135 1.00 0.63 C ATOM 309 CG PRO A 696 11.666 -10.149 1.862 1.00 0.94 C ATOM 310 CD PRO A 696 12.593 -10.066 3.043 1.00 0.74 C ATOM 0 HA PRO A 696 11.529 -7.198 2.243 1.00 0.49 H new ATOM 0 HB2 PRO A 696 9.780 -9.628 2.733 1.00 0.63 H new ATOM 0 HB3 PRO A 696 10.113 -8.826 1.211 1.00 0.63 H new ATOM 0 HG2 PRO A 696 11.272 -11.158 1.745 1.00 0.94 H new ATOM 0 HG3 PRO A 696 12.188 -9.901 0.938 1.00 0.94 H new ATOM 0 HD2 PRO A 696 12.322 -10.782 3.819 1.00 0.74 H new ATOM 0 HD3 PRO A 696 13.625 -10.277 2.761 1.00 0.74 H new ATOM 318 N ILE A 697 9.767 -6.279 3.671 1.00 0.46 N ATOM 319 CA ILE A 697 9.131 -5.508 4.721 1.00 0.56 C ATOM 320 C ILE A 697 7.629 -5.393 4.549 1.00 0.51 C ATOM 321 O ILE A 697 7.123 -4.864 3.567 1.00 0.63 O ATOM 322 CB ILE A 697 9.766 -4.103 4.853 1.00 0.82 C ATOM 323 CG1 ILE A 697 11.130 -4.230 5.526 1.00 1.02 C ATOM 324 CG2 ILE A 697 8.869 -3.162 5.650 1.00 1.01 C ATOM 325 CD1 ILE A 697 11.051 -4.848 6.906 1.00 1.15 C ATOM 0 H ILE A 697 9.747 -5.847 2.747 1.00 0.46 H new ATOM 0 HA ILE A 697 9.305 -6.062 5.644 1.00 0.56 H new ATOM 0 HB ILE A 697 9.885 -3.678 3.856 1.00 0.82 H new ATOM 0 HG12 ILE A 697 11.784 -4.836 4.899 1.00 1.02 H new ATOM 0 HG13 ILE A 697 11.586 -3.243 5.601 1.00 1.02 H new ATOM 0 HG21 ILE A 697 9.343 -2.183 5.725 1.00 1.01 H new ATOM 0 HG22 ILE A 697 7.908 -3.062 5.146 1.00 1.01 H new ATOM 0 HG23 ILE A 697 8.714 -3.567 6.650 1.00 1.01 H new ATOM 0 HD11 ILE A 697 12.052 -4.912 7.334 1.00 1.15 H new ATOM 0 HD12 ILE A 697 10.422 -4.230 7.546 1.00 1.15 H new ATOM 0 HD13 ILE A 697 10.623 -5.848 6.833 1.00 1.15 H new ATOM 337 N LYS A 698 6.931 -5.922 5.522 1.00 0.56 N ATOM 338 CA LYS A 698 5.511 -5.721 5.651 1.00 0.65 C ATOM 339 C LYS A 698 5.263 -4.584 6.639 1.00 0.46 C ATOM 340 O LYS A 698 5.644 -4.677 7.807 1.00 0.52 O ATOM 341 CB LYS A 698 4.861 -7.039 6.098 1.00 1.04 C ATOM 342 CG LYS A 698 3.480 -6.912 6.731 1.00 1.91 C ATOM 343 CD LYS A 698 3.576 -6.875 8.247 1.00 2.12 C ATOM 344 CE LYS A 698 2.211 -6.855 8.907 1.00 2.62 C ATOM 345 NZ LYS A 698 2.326 -6.858 10.387 1.00 3.17 N ATOM 0 H LYS A 698 7.336 -6.508 6.252 1.00 0.56 H new ATOM 0 HA LYS A 698 5.062 -5.437 4.699 1.00 0.65 H new ATOM 0 HB2 LYS A 698 4.785 -7.697 5.233 1.00 1.04 H new ATOM 0 HB3 LYS A 698 5.525 -7.527 6.812 1.00 1.04 H new ATOM 0 HG2 LYS A 698 2.994 -6.005 6.372 1.00 1.91 H new ATOM 0 HG3 LYS A 698 2.857 -7.751 6.423 1.00 1.91 H new ATOM 0 HD2 LYS A 698 4.133 -7.744 8.595 1.00 2.12 H new ATOM 0 HD3 LYS A 698 4.138 -5.993 8.552 1.00 2.12 H new ATOM 0 HE2 LYS A 698 1.662 -5.970 8.585 1.00 2.62 H new ATOM 0 HE3 LYS A 698 1.636 -7.722 8.583 1.00 2.62 H new ATOM 0 HZ1 LYS A 698 1.376 -6.844 10.809 1.00 3.17 H new ATOM 0 HZ2 LYS A 698 2.829 -7.715 10.694 1.00 3.17 H new ATOM 0 HZ3 LYS A 698 2.854 -6.017 10.696 1.00 3.17 H new ATOM 359 N PHE A 699 4.669 -3.494 6.168 1.00 0.41 N ATOM 360 CA PHE A 699 4.410 -2.365 7.041 1.00 0.33 C ATOM 361 C PHE A 699 2.922 -2.210 7.250 1.00 0.32 C ATOM 362 O PHE A 699 2.131 -2.411 6.328 1.00 0.33 O ATOM 363 CB PHE A 699 4.974 -1.065 6.460 1.00 0.41 C ATOM 364 CG PHE A 699 5.412 -0.081 7.506 1.00 0.77 C ATOM 365 CD1 PHE A 699 4.549 0.903 7.953 1.00 1.08 C ATOM 366 CD2 PHE A 699 6.688 -0.145 8.042 1.00 1.27 C ATOM 367 CE1 PHE A 699 4.950 1.808 8.919 1.00 1.58 C ATOM 368 CE2 PHE A 699 7.093 0.757 9.006 1.00 1.76 C ATOM 369 CZ PHE A 699 6.224 1.734 9.445 1.00 1.84 C ATOM 0 H PHE A 699 4.364 -3.372 5.203 1.00 0.41 H new ATOM 0 HA PHE A 699 4.905 -2.560 7.992 1.00 0.33 H new ATOM 0 HB2 PHE A 699 5.822 -1.302 5.817 1.00 0.41 H new ATOM 0 HB3 PHE A 699 4.216 -0.600 5.829 1.00 0.41 H new ATOM 0 HD1 PHE A 699 3.552 0.965 7.543 1.00 1.08 H new ATOM 0 HD2 PHE A 699 7.373 -0.908 7.702 1.00 1.27 H new ATOM 0 HE1 PHE A 699 4.267 2.572 9.261 1.00 1.58 H new ATOM 0 HE2 PHE A 699 8.090 0.697 9.416 1.00 1.76 H new ATOM 0 HZ PHE A 699 6.540 2.440 10.199 1.00 1.84 H new ATOM 379 N LEU A 700 2.544 -1.863 8.459 1.00 0.32 N ATOM 380 CA LEU A 700 1.172 -1.546 8.739 1.00 0.31 C ATOM 381 C LEU A 700 0.994 -0.046 8.580 1.00 0.28 C ATOM 382 O LEU A 700 1.478 0.738 9.398 1.00 0.34 O ATOM 383 CB LEU A 700 0.812 -2.011 10.160 1.00 0.38 C ATOM 384 CG LEU A 700 -0.647 -1.822 10.591 1.00 0.49 C ATOM 385 CD1 LEU A 700 -1.005 -2.819 11.680 1.00 0.98 C ATOM 386 CD2 LEU A 700 -0.886 -0.405 11.098 1.00 0.73 C ATOM 0 H LEU A 700 3.171 -1.795 9.261 1.00 0.32 H new ATOM 0 HA LEU A 700 0.503 -2.060 8.048 1.00 0.31 H new ATOM 0 HB2 LEU A 700 1.059 -3.069 10.246 1.00 0.38 H new ATOM 0 HB3 LEU A 700 1.448 -1.477 10.866 1.00 0.38 H new ATOM 0 HG LEU A 700 -1.281 -1.992 9.721 1.00 0.49 H new ATOM 0 HD11 LEU A 700 -2.044 -2.675 11.978 1.00 0.98 H new ATOM 0 HD12 LEU A 700 -0.873 -3.833 11.303 1.00 0.98 H new ATOM 0 HD13 LEU A 700 -0.356 -2.665 12.542 1.00 0.98 H new ATOM 0 HD21 LEU A 700 -1.928 -0.297 11.397 1.00 0.73 H new ATOM 0 HD22 LEU A 700 -0.240 -0.211 11.955 1.00 0.73 H new ATOM 0 HD23 LEU A 700 -0.660 0.308 10.305 1.00 0.73 H new ATOM 398 N VAL A 701 0.339 0.348 7.505 1.00 0.25 N ATOM 399 CA VAL A 701 -0.013 1.727 7.308 1.00 0.27 C ATOM 400 C VAL A 701 -1.517 1.894 7.481 1.00 0.24 C ATOM 401 O VAL A 701 -2.304 1.290 6.746 1.00 0.28 O ATOM 402 CB VAL A 701 0.408 2.240 5.917 1.00 0.35 C ATOM 403 CG1 VAL A 701 1.906 2.491 5.878 1.00 0.36 C ATOM 404 CG2 VAL A 701 -0.005 1.259 4.831 1.00 0.41 C ATOM 0 H VAL A 701 0.042 -0.277 6.755 1.00 0.25 H new ATOM 0 HA VAL A 701 0.522 2.317 8.052 1.00 0.27 H new ATOM 0 HB VAL A 701 -0.104 3.183 5.728 1.00 0.35 H new ATOM 0 HG11 VAL A 701 2.189 2.853 4.889 1.00 0.36 H new ATOM 0 HG12 VAL A 701 2.169 3.238 6.627 1.00 0.36 H new ATOM 0 HG13 VAL A 701 2.436 1.562 6.090 1.00 0.36 H new ATOM 0 HG21 VAL A 701 0.303 1.642 3.858 1.00 0.41 H new ATOM 0 HG22 VAL A 701 0.474 0.296 5.009 1.00 0.41 H new ATOM 0 HG23 VAL A 701 -1.088 1.134 4.846 1.00 0.41 H new ATOM 414 N SER A 702 -1.942 2.654 8.466 1.00 0.26 N ATOM 415 CA SER A 702 -3.355 2.913 8.592 1.00 0.27 C ATOM 416 C SER A 702 -3.665 4.265 7.978 1.00 0.28 C ATOM 417 O SER A 702 -3.396 5.310 8.574 1.00 0.34 O ATOM 418 CB SER A 702 -3.757 2.878 10.068 1.00 0.34 C ATOM 419 OG SER A 702 -5.161 3.016 10.232 1.00 1.39 O ATOM 0 H SER A 702 -1.349 3.091 9.171 1.00 0.26 H new ATOM 0 HA SER A 702 -3.925 2.147 8.067 1.00 0.27 H new ATOM 0 HB2 SER A 702 -3.429 1.938 10.513 1.00 0.34 H new ATOM 0 HB3 SER A 702 -3.247 3.679 10.603 1.00 0.34 H new ATOM 0 HG SER A 702 -5.383 2.988 11.186 1.00 1.39 H new ATOM 425 N VAL A 703 -4.243 4.227 6.785 1.00 0.28 N ATOM 426 CA VAL A 703 -4.648 5.415 6.064 1.00 0.34 C ATOM 427 C VAL A 703 -5.810 5.039 5.169 1.00 0.36 C ATOM 428 O VAL A 703 -5.977 3.874 4.817 1.00 0.40 O ATOM 429 CB VAL A 703 -3.517 6.006 5.172 1.00 0.42 C ATOM 430 CG1 VAL A 703 -3.899 7.374 4.627 1.00 0.77 C ATOM 431 CG2 VAL A 703 -2.183 6.088 5.900 1.00 0.56 C ATOM 0 H VAL A 703 -4.444 3.358 6.290 1.00 0.28 H new ATOM 0 HA VAL A 703 -4.911 6.176 6.799 1.00 0.34 H new ATOM 0 HB VAL A 703 -3.395 5.315 4.338 1.00 0.42 H new ATOM 0 HG11 VAL A 703 -3.088 7.759 4.009 1.00 0.77 H new ATOM 0 HG12 VAL A 703 -4.804 7.286 4.026 1.00 0.77 H new ATOM 0 HG13 VAL A 703 -4.079 8.059 5.456 1.00 0.77 H new ATOM 0 HG21 VAL A 703 -1.430 6.507 5.233 1.00 0.56 H new ATOM 0 HG22 VAL A 703 -2.286 6.726 6.777 1.00 0.56 H new ATOM 0 HG23 VAL A 703 -1.877 5.089 6.212 1.00 0.56 H new ATOM 441 N SER A 704 -6.589 6.011 4.798 1.00 0.44 N ATOM 442 CA SER A 704 -7.578 5.844 3.763 1.00 0.48 C ATOM 443 C SER A 704 -7.391 6.998 2.811 1.00 0.66 C ATOM 444 O SER A 704 -6.605 7.902 3.103 1.00 0.82 O ATOM 445 CB SER A 704 -8.984 5.859 4.353 1.00 0.49 C ATOM 446 OG SER A 704 -9.359 7.166 4.741 1.00 1.19 O ATOM 0 H SER A 704 -6.560 6.947 5.203 1.00 0.44 H new ATOM 0 HA SER A 704 -7.458 4.887 3.255 1.00 0.48 H new ATOM 0 HB2 SER A 704 -9.694 5.476 3.620 1.00 0.49 H new ATOM 0 HB3 SER A 704 -9.027 5.194 5.215 1.00 0.49 H new ATOM 0 HG SER A 704 -10.335 7.219 4.810 1.00 1.19 H new ATOM 452 N LYS A 705 -8.055 6.977 1.673 1.00 0.87 N ATOM 453 CA LYS A 705 -8.025 8.143 0.814 1.00 1.08 C ATOM 454 C LYS A 705 -8.665 9.318 1.529 1.00 0.96 C ATOM 455 O LYS A 705 -9.884 9.480 1.544 1.00 1.22 O ATOM 456 CB LYS A 705 -8.698 7.908 -0.544 1.00 1.57 C ATOM 457 CG LYS A 705 -10.126 7.390 -0.473 1.00 2.47 C ATOM 458 CD LYS A 705 -11.047 8.072 -1.479 1.00 3.17 C ATOM 459 CE LYS A 705 -11.575 9.403 -0.970 1.00 3.91 C ATOM 460 NZ LYS A 705 -12.256 9.261 0.348 1.00 4.66 N ATOM 0 H LYS A 705 -8.606 6.191 1.329 1.00 0.87 H new ATOM 0 HA LYS A 705 -6.978 8.361 0.602 1.00 1.08 H new ATOM 0 HB2 LYS A 705 -8.695 8.845 -1.101 1.00 1.57 H new ATOM 0 HB3 LYS A 705 -8.098 7.197 -1.112 1.00 1.57 H new ATOM 0 HG2 LYS A 705 -10.128 6.315 -0.654 1.00 2.47 H new ATOM 0 HG3 LYS A 705 -10.515 7.544 0.533 1.00 2.47 H new ATOM 0 HD2 LYS A 705 -10.507 8.231 -2.412 1.00 3.17 H new ATOM 0 HD3 LYS A 705 -11.886 7.413 -1.704 1.00 3.17 H new ATOM 0 HE2 LYS A 705 -10.751 10.110 -0.879 1.00 3.91 H new ATOM 0 HE3 LYS A 705 -12.273 9.819 -1.697 1.00 3.91 H new ATOM 0 HZ1 LYS A 705 -12.968 10.011 0.453 1.00 4.66 H new ATOM 0 HZ2 LYS A 705 -12.721 8.332 0.400 1.00 4.66 H new ATOM 0 HZ3 LYS A 705 -11.554 9.340 1.112 1.00 4.66 H new ATOM 474 N GLU A 706 -7.829 10.091 2.190 1.00 0.96 N ATOM 475 CA GLU A 706 -8.232 11.380 2.696 1.00 1.16 C ATOM 476 C GLU A 706 -8.642 12.263 1.528 1.00 1.49 C ATOM 477 O GLU A 706 -8.588 11.846 0.371 1.00 1.84 O ATOM 478 CB GLU A 706 -7.106 12.037 3.489 1.00 1.55 C ATOM 479 CG GLU A 706 -6.514 11.148 4.563 1.00 1.85 C ATOM 480 CD GLU A 706 -5.640 11.919 5.526 1.00 2.27 C ATOM 481 OE1 GLU A 706 -6.162 12.416 6.543 1.00 2.69 O ATOM 482 OE2 GLU A 706 -4.424 12.039 5.262 1.00 2.79 O ATOM 0 H GLU A 706 -6.860 9.844 2.389 1.00 0.96 H new ATOM 0 HA GLU A 706 -9.076 11.247 3.373 1.00 1.16 H new ATOM 0 HB2 GLU A 706 -6.315 12.335 2.800 1.00 1.55 H new ATOM 0 HB3 GLU A 706 -7.485 12.948 3.953 1.00 1.55 H new ATOM 0 HG2 GLU A 706 -7.319 10.663 5.115 1.00 1.85 H new ATOM 0 HG3 GLU A 706 -5.927 10.358 4.095 1.00 1.85 H new ATOM 489 N ASN A 707 -9.037 13.480 1.841 1.00 1.81 N ATOM 490 CA ASN A 707 -9.726 14.356 0.898 1.00 2.13 C ATOM 491 C ASN A 707 -8.935 14.687 -0.371 1.00 1.71 C ATOM 492 O ASN A 707 -9.417 15.475 -1.186 1.00 1.87 O ATOM 493 CB ASN A 707 -10.140 15.649 1.596 1.00 2.79 C ATOM 494 CG ASN A 707 -11.256 15.430 2.595 1.00 3.37 C ATOM 495 OD1 ASN A 707 -11.011 15.168 3.771 1.00 3.87 O ATOM 496 ND2 ASN A 707 -12.490 15.520 2.131 1.00 3.89 N ATOM 0 H ASN A 707 -8.891 13.897 2.760 1.00 1.81 H new ATOM 0 HA ASN A 707 -10.598 13.793 0.564 1.00 2.13 H new ATOM 0 HB2 ASN A 707 -9.277 16.076 2.107 1.00 2.79 H new ATOM 0 HB3 ASN A 707 -10.461 16.376 0.850 1.00 2.79 H new ATOM 0 HD21 ASN A 707 -13.282 15.370 2.756 1.00 3.89 H new ATOM 0 HD22 ASN A 707 -12.650 15.740 1.148 1.00 3.89 H new ATOM 503 N SER A 708 -7.746 14.120 -0.575 1.00 1.30 N ATOM 504 CA SER A 708 -7.015 14.450 -1.783 1.00 1.07 C ATOM 505 C SER A 708 -6.812 13.247 -2.709 1.00 0.94 C ATOM 506 O SER A 708 -7.294 13.252 -3.844 1.00 1.14 O ATOM 507 CB SER A 708 -5.648 15.014 -1.384 1.00 1.20 C ATOM 508 OG SER A 708 -4.890 15.395 -2.519 1.00 1.82 O ATOM 0 H SER A 708 -7.290 13.459 0.054 1.00 1.30 H new ATOM 0 HA SER A 708 -7.605 15.180 -2.337 1.00 1.07 H new ATOM 0 HB2 SER A 708 -5.786 15.876 -0.732 1.00 1.20 H new ATOM 0 HB3 SER A 708 -5.098 14.266 -0.812 1.00 1.20 H new ATOM 0 HG SER A 708 -4.025 15.752 -2.230 1.00 1.82 H new ATOM 514 N THR A 709 -6.119 12.220 -2.243 1.00 0.79 N ATOM 515 CA THR A 709 -5.870 11.052 -3.076 1.00 0.73 C ATOM 516 C THR A 709 -5.931 9.730 -2.292 1.00 0.64 C ATOM 517 O THR A 709 -5.878 9.722 -1.064 1.00 0.67 O ATOM 518 CB THR A 709 -4.543 11.213 -3.849 1.00 0.81 C ATOM 519 OG1 THR A 709 -4.103 9.962 -4.389 1.00 0.90 O ATOM 520 CG2 THR A 709 -3.467 11.825 -2.973 1.00 0.85 C ATOM 0 H THR A 709 -5.723 12.170 -1.304 1.00 0.79 H new ATOM 0 HA THR A 709 -6.681 10.993 -3.802 1.00 0.73 H new ATOM 0 HB THR A 709 -4.730 11.894 -4.680 1.00 0.81 H new ATOM 0 HG1 THR A 709 -4.681 9.708 -5.139 1.00 0.90 H new ATOM 0 HG21 THR A 709 -2.545 11.925 -3.546 1.00 0.85 H new ATOM 0 HG22 THR A 709 -3.791 12.808 -2.632 1.00 0.85 H new ATOM 0 HG23 THR A 709 -3.290 11.182 -2.111 1.00 0.85 H new ATOM 528 N ALA A 710 -6.043 8.617 -3.024 1.00 0.68 N ATOM 529 CA ALA A 710 -5.895 7.272 -2.457 1.00 0.65 C ATOM 530 C ALA A 710 -4.420 6.939 -2.219 1.00 0.48 C ATOM 531 O ALA A 710 -4.086 6.113 -1.374 1.00 0.46 O ATOM 532 CB ALA A 710 -6.519 6.242 -3.395 1.00 0.86 C ATOM 0 H ALA A 710 -6.239 8.623 -4.025 1.00 0.68 H new ATOM 0 HA ALA A 710 -6.410 7.244 -1.497 1.00 0.65 H new ATOM 0 HB1 ALA A 710 -6.406 5.245 -2.968 1.00 0.86 H new ATOM 0 HB2 ALA A 710 -7.578 6.463 -3.525 1.00 0.86 H new ATOM 0 HB3 ALA A 710 -6.019 6.281 -4.363 1.00 0.86 H new ATOM 538 N SER A 711 -3.550 7.614 -2.961 1.00 0.49 N ATOM 539 CA SER A 711 -2.117 7.312 -2.992 1.00 0.51 C ATOM 540 C SER A 711 -1.465 7.490 -1.624 1.00 0.43 C ATOM 541 O SER A 711 -0.455 6.855 -1.332 1.00 0.43 O ATOM 542 CB SER A 711 -1.402 8.172 -4.037 1.00 0.70 C ATOM 543 OG SER A 711 -1.595 9.550 -3.784 1.00 1.55 O ATOM 0 H SER A 711 -3.817 8.392 -3.564 1.00 0.49 H new ATOM 0 HA SER A 711 -2.018 6.263 -3.271 1.00 0.51 H new ATOM 0 HB2 SER A 711 -0.336 7.944 -4.032 1.00 0.70 H new ATOM 0 HB3 SER A 711 -1.775 7.926 -5.031 1.00 0.70 H new ATOM 0 HG SER A 711 -2.357 9.875 -4.308 1.00 1.55 H new ATOM 549 N GLU A 712 -2.039 8.362 -0.803 1.00 0.43 N ATOM 550 CA GLU A 712 -1.482 8.717 0.492 1.00 0.46 C ATOM 551 C GLU A 712 -1.241 7.478 1.359 1.00 0.39 C ATOM 552 O GLU A 712 -0.323 7.458 2.184 1.00 0.42 O ATOM 553 CB GLU A 712 -2.446 9.676 1.181 1.00 0.56 C ATOM 554 CG GLU A 712 -2.894 10.802 0.258 1.00 0.67 C ATOM 555 CD GLU A 712 -1.792 11.802 -0.033 1.00 1.19 C ATOM 556 OE1 GLU A 712 -1.773 12.870 0.608 1.00 1.54 O ATOM 557 OE2 GLU A 712 -0.924 11.504 -0.878 1.00 1.78 O ATOM 0 H GLU A 712 -2.911 8.845 -1.021 1.00 0.43 H new ATOM 0 HA GLU A 712 -0.513 9.196 0.348 1.00 0.46 H new ATOM 0 HB2 GLU A 712 -3.319 9.124 1.528 1.00 0.56 H new ATOM 0 HB3 GLU A 712 -1.966 10.100 2.063 1.00 0.56 H new ATOM 0 HG2 GLU A 712 -3.248 10.376 -0.681 1.00 0.67 H new ATOM 0 HG3 GLU A 712 -3.739 11.322 0.711 1.00 0.67 H new ATOM 564 N VAL A 713 -2.063 6.446 1.178 1.00 0.34 N ATOM 565 CA VAL A 713 -1.863 5.199 1.893 1.00 0.33 C ATOM 566 C VAL A 713 -0.556 4.533 1.466 1.00 0.29 C ATOM 567 O VAL A 713 0.226 4.077 2.304 1.00 0.29 O ATOM 568 CB VAL A 713 -3.046 4.221 1.699 1.00 0.40 C ATOM 569 CG1 VAL A 713 -4.330 4.884 2.143 1.00 0.48 C ATOM 570 CG2 VAL A 713 -3.176 3.721 0.263 1.00 0.40 C ATOM 0 H VAL A 713 -2.865 6.453 0.547 1.00 0.34 H new ATOM 0 HA VAL A 713 -1.808 5.446 2.953 1.00 0.33 H new ATOM 0 HB VAL A 713 -2.846 3.344 2.315 1.00 0.40 H new ATOM 0 HG11 VAL A 713 -5.162 4.194 2.006 1.00 0.48 H new ATOM 0 HG12 VAL A 713 -4.254 5.156 3.196 1.00 0.48 H new ATOM 0 HG13 VAL A 713 -4.501 5.781 1.548 1.00 0.48 H new ATOM 0 HG21 VAL A 713 -4.023 3.039 0.190 1.00 0.40 H new ATOM 0 HG22 VAL A 713 -3.334 4.568 -0.404 1.00 0.40 H new ATOM 0 HG23 VAL A 713 -2.264 3.198 -0.024 1.00 0.40 H new ATOM 580 N LEU A 714 -0.314 4.504 0.162 1.00 0.33 N ATOM 581 CA LEU A 714 0.894 3.925 -0.389 1.00 0.37 C ATOM 582 C LEU A 714 2.076 4.812 -0.032 1.00 0.34 C ATOM 583 O LEU A 714 3.192 4.345 0.161 1.00 0.37 O ATOM 584 CB LEU A 714 0.759 3.764 -1.903 1.00 0.46 C ATOM 585 CG LEU A 714 1.544 4.765 -2.739 1.00 0.45 C ATOM 586 CD1 LEU A 714 2.944 4.244 -2.987 1.00 0.64 C ATOM 587 CD2 LEU A 714 0.832 5.055 -4.047 1.00 0.84 C ATOM 0 H LEU A 714 -0.952 4.882 -0.539 1.00 0.33 H new ATOM 0 HA LEU A 714 1.057 2.934 0.035 1.00 0.37 H new ATOM 0 HB2 LEU A 714 1.081 2.758 -2.174 1.00 0.46 H new ATOM 0 HB3 LEU A 714 -0.296 3.844 -2.167 1.00 0.46 H new ATOM 0 HG LEU A 714 1.614 5.703 -2.188 1.00 0.45 H new ATOM 0 HD11 LEU A 714 3.500 4.965 -3.586 1.00 0.64 H new ATOM 0 HD12 LEU A 714 3.451 4.096 -2.034 1.00 0.64 H new ATOM 0 HD13 LEU A 714 2.890 3.295 -3.520 1.00 0.64 H new ATOM 0 HD21 LEU A 714 1.413 5.773 -4.626 1.00 0.84 H new ATOM 0 HD22 LEU A 714 0.725 4.131 -4.616 1.00 0.84 H new ATOM 0 HD23 LEU A 714 -0.155 5.469 -3.840 1.00 0.84 H new ATOM 599 N ASP A 715 1.812 6.109 0.007 1.00 0.32 N ATOM 600 CA ASP A 715 2.811 7.096 0.379 1.00 0.34 C ATOM 601 C ASP A 715 3.379 6.774 1.748 1.00 0.32 C ATOM 602 O ASP A 715 4.590 6.816 1.950 1.00 0.36 O ATOM 603 CB ASP A 715 2.182 8.474 0.397 1.00 0.40 C ATOM 604 CG ASP A 715 3.106 9.527 0.984 1.00 0.99 C ATOM 605 OD1 ASP A 715 4.047 9.961 0.280 1.00 1.94 O ATOM 606 OD2 ASP A 715 2.897 9.923 2.144 1.00 1.37 O ATOM 0 H ASP A 715 0.900 6.506 -0.218 1.00 0.32 H new ATOM 0 HA ASP A 715 3.619 7.076 -0.352 1.00 0.34 H new ATOM 0 HB2 ASP A 715 1.910 8.759 -0.619 1.00 0.40 H new ATOM 0 HB3 ASP A 715 1.259 8.441 0.976 1.00 0.40 H new ATOM 611 N SER A 716 2.500 6.394 2.668 1.00 0.28 N ATOM 612 CA SER A 716 2.910 5.976 3.994 1.00 0.28 C ATOM 613 C SER A 716 3.880 4.803 3.901 1.00 0.30 C ATOM 614 O SER A 716 4.841 4.689 4.660 1.00 0.33 O ATOM 615 CB SER A 716 1.669 5.579 4.775 1.00 0.29 C ATOM 616 OG SER A 716 0.966 6.723 5.231 1.00 0.41 O ATOM 0 H SER A 716 1.492 6.368 2.513 1.00 0.28 H new ATOM 0 HA SER A 716 3.421 6.794 4.503 1.00 0.28 H new ATOM 0 HB2 SER A 716 1.017 4.975 4.145 1.00 0.29 H new ATOM 0 HB3 SER A 716 1.953 4.960 5.626 1.00 0.29 H new ATOM 0 HG SER A 716 0.502 6.510 6.067 1.00 0.41 H new ATOM 622 N LEU A 717 3.593 3.936 2.963 1.00 0.32 N ATOM 623 CA LEU A 717 4.373 2.759 2.702 1.00 0.39 C ATOM 624 C LEU A 717 5.741 3.081 2.105 1.00 0.37 C ATOM 625 O LEU A 717 6.769 2.677 2.637 1.00 0.43 O ATOM 626 CB LEU A 717 3.557 1.946 1.741 1.00 0.52 C ATOM 627 CG LEU A 717 2.521 1.086 2.429 1.00 0.75 C ATOM 628 CD1 LEU A 717 1.693 0.329 1.423 1.00 1.42 C ATOM 629 CD2 LEU A 717 3.217 0.159 3.397 1.00 1.42 C ATOM 0 H LEU A 717 2.788 4.035 2.345 1.00 0.32 H new ATOM 0 HA LEU A 717 4.582 2.226 3.629 1.00 0.39 H new ATOM 0 HB2 LEU A 717 3.059 2.615 1.039 1.00 0.52 H new ATOM 0 HB3 LEU A 717 4.221 1.309 1.157 1.00 0.52 H new ATOM 0 HG LEU A 717 1.831 1.719 2.986 1.00 0.75 H new ATOM 0 HD11 LEU A 717 0.956 -0.282 1.944 1.00 1.42 H new ATOM 0 HD12 LEU A 717 1.182 1.034 0.768 1.00 1.42 H new ATOM 0 HD13 LEU A 717 2.342 -0.314 0.828 1.00 1.42 H new ATOM 0 HD21 LEU A 717 2.478 -0.466 3.898 1.00 1.42 H new ATOM 0 HD22 LEU A 717 3.919 -0.474 2.854 1.00 1.42 H new ATOM 0 HD23 LEU A 717 3.758 0.747 4.139 1.00 1.42 H new ATOM 641 N SER A 718 5.739 3.800 0.993 1.00 0.33 N ATOM 642 CA SER A 718 6.966 4.238 0.345 1.00 0.38 C ATOM 643 C SER A 718 7.924 4.948 1.302 1.00 0.30 C ATOM 644 O SER A 718 9.122 4.663 1.310 1.00 0.31 O ATOM 645 CB SER A 718 6.618 5.154 -0.820 1.00 0.50 C ATOM 646 OG SER A 718 5.797 6.232 -0.402 1.00 1.52 O ATOM 0 H SER A 718 4.888 4.096 0.515 1.00 0.33 H new ATOM 0 HA SER A 718 7.484 3.348 -0.011 1.00 0.38 H new ATOM 0 HB2 SER A 718 7.534 5.543 -1.265 1.00 0.50 H new ATOM 0 HB3 SER A 718 6.105 4.583 -1.594 1.00 0.50 H new ATOM 0 HG SER A 718 5.475 6.064 0.508 1.00 1.52 H new ATOM 652 N GLN A 719 7.405 5.865 2.106 1.00 0.29 N ATOM 653 CA GLN A 719 8.246 6.642 3.004 1.00 0.31 C ATOM 654 C GLN A 719 8.819 5.762 4.107 1.00 0.35 C ATOM 655 O GLN A 719 9.903 6.023 4.622 1.00 0.41 O ATOM 656 CB GLN A 719 7.466 7.817 3.580 1.00 0.37 C ATOM 657 CG GLN A 719 6.269 7.394 4.390 1.00 0.39 C ATOM 658 CD GLN A 719 5.390 8.558 4.809 1.00 0.48 C ATOM 659 OE1 GLN A 719 4.742 8.515 5.854 1.00 1.10 O ATOM 660 NE2 GLN A 719 5.357 9.602 3.995 1.00 1.35 N ATOM 0 H GLN A 719 6.411 6.088 2.155 1.00 0.29 H new ATOM 0 HA GLN A 719 9.085 7.042 2.434 1.00 0.31 H new ATOM 0 HB2 GLN A 719 8.129 8.412 4.207 1.00 0.37 H new ATOM 0 HB3 GLN A 719 7.136 8.460 2.764 1.00 0.37 H new ATOM 0 HG2 GLN A 719 5.675 6.689 3.808 1.00 0.39 H new ATOM 0 HG3 GLN A 719 6.609 6.865 5.280 1.00 0.39 H new ATOM 0 HE21 GLN A 719 5.910 9.598 3.138 1.00 1.35 H new ATOM 0 HE22 GLN A 719 4.779 10.410 4.225 1.00 1.35 H new ATOM 669 N SER A 720 8.079 4.723 4.469 1.00 0.35 N ATOM 670 CA SER A 720 8.580 3.687 5.364 1.00 0.45 C ATOM 671 C SER A 720 9.822 3.013 4.782 1.00 0.49 C ATOM 672 O SER A 720 10.646 2.448 5.503 1.00 0.60 O ATOM 673 CB SER A 720 7.481 2.656 5.574 1.00 0.50 C ATOM 674 OG SER A 720 6.375 3.223 6.262 1.00 0.51 O ATOM 0 H SER A 720 7.121 4.574 4.153 1.00 0.35 H new ATOM 0 HA SER A 720 8.861 4.140 6.315 1.00 0.45 H new ATOM 0 HB2 SER A 720 7.153 2.267 4.610 1.00 0.50 H new ATOM 0 HB3 SER A 720 7.873 1.812 6.142 1.00 0.50 H new ATOM 0 HG SER A 720 5.960 3.912 5.702 1.00 0.51 H new ATOM 680 N VAL A 721 9.945 3.099 3.473 1.00 0.45 N ATOM 681 CA VAL A 721 11.017 2.451 2.742 1.00 0.54 C ATOM 682 C VAL A 721 12.185 3.418 2.496 1.00 0.53 C ATOM 683 O VAL A 721 13.240 3.037 1.986 1.00 0.67 O ATOM 684 CB VAL A 721 10.460 1.911 1.407 1.00 0.58 C ATOM 685 CG1 VAL A 721 11.549 1.353 0.529 1.00 0.65 C ATOM 686 CG2 VAL A 721 9.402 0.865 1.669 1.00 0.70 C ATOM 0 H VAL A 721 9.300 3.624 2.882 1.00 0.45 H new ATOM 0 HA VAL A 721 11.404 1.623 3.336 1.00 0.54 H new ATOM 0 HB VAL A 721 10.010 2.748 0.873 1.00 0.58 H new ATOM 0 HG11 VAL A 721 11.114 0.984 -0.400 1.00 0.65 H new ATOM 0 HG12 VAL A 721 12.273 2.137 0.305 1.00 0.65 H new ATOM 0 HG13 VAL A 721 12.049 0.534 1.046 1.00 0.65 H new ATOM 0 HG21 VAL A 721 9.017 0.492 0.720 1.00 0.70 H new ATOM 0 HG22 VAL A 721 9.837 0.040 2.233 1.00 0.70 H new ATOM 0 HG23 VAL A 721 8.587 1.307 2.243 1.00 0.70 H new ATOM 696 N HIS A 722 11.988 4.673 2.898 1.00 0.44 N ATOM 697 CA HIS A 722 12.993 5.726 2.722 1.00 0.50 C ATOM 698 C HIS A 722 13.210 5.971 1.229 1.00 0.47 C ATOM 699 O HIS A 722 14.286 6.336 0.764 1.00 0.60 O ATOM 700 CB HIS A 722 14.299 5.340 3.448 1.00 0.69 C ATOM 701 CG HIS A 722 15.383 6.380 3.406 1.00 1.37 C ATOM 702 ND1 HIS A 722 15.378 7.523 4.181 1.00 2.03 N ATOM 703 CD2 HIS A 722 16.514 6.440 2.665 1.00 2.30 C ATOM 704 CE1 HIS A 722 16.456 8.238 3.912 1.00 2.74 C ATOM 705 NE2 HIS A 722 17.160 7.601 2.998 1.00 2.91 N ATOM 0 H HIS A 722 11.132 4.990 3.353 1.00 0.44 H new ATOM 0 HA HIS A 722 12.644 6.658 3.167 1.00 0.50 H new ATOM 0 HB2 HIS A 722 14.066 5.122 4.490 1.00 0.69 H new ATOM 0 HB3 HIS A 722 14.683 4.420 3.008 1.00 0.69 H new ATOM 0 HD2 HIS A 722 16.846 5.708 1.944 1.00 2.30 H new ATOM 0 HE1 HIS A 722 16.716 9.184 4.364 1.00 2.74 H new ATOM 0 HE2 HIS A 722 18.044 7.921 2.602 1.00 2.91 H new ATOM 714 N VAL A 723 12.142 5.764 0.494 1.00 0.36 N ATOM 715 CA VAL A 723 12.103 6.051 -0.922 1.00 0.39 C ATOM 716 C VAL A 723 10.861 6.873 -1.233 1.00 0.36 C ATOM 717 O VAL A 723 9.898 6.866 -0.464 1.00 0.34 O ATOM 718 CB VAL A 723 12.090 4.759 -1.768 1.00 0.47 C ATOM 719 CG1 VAL A 723 10.782 3.998 -1.586 1.00 0.41 C ATOM 720 CG2 VAL A 723 12.352 5.069 -3.235 1.00 0.62 C ATOM 0 H VAL A 723 11.269 5.389 0.864 1.00 0.36 H new ATOM 0 HA VAL A 723 13.003 6.609 -1.179 1.00 0.39 H new ATOM 0 HB VAL A 723 12.896 4.116 -1.415 1.00 0.47 H new ATOM 0 HG11 VAL A 723 10.800 3.093 -2.193 1.00 0.41 H new ATOM 0 HG12 VAL A 723 10.661 3.729 -0.537 1.00 0.41 H new ATOM 0 HG13 VAL A 723 9.948 4.627 -1.898 1.00 0.41 H new ATOM 0 HG21 VAL A 723 12.338 4.143 -3.811 1.00 0.62 H new ATOM 0 HG22 VAL A 723 11.579 5.740 -3.609 1.00 0.62 H new ATOM 0 HG23 VAL A 723 13.327 5.545 -3.338 1.00 0.62 H new ATOM 730 N LYS A 724 10.907 7.622 -2.318 1.00 0.45 N ATOM 731 CA LYS A 724 9.739 8.339 -2.794 1.00 0.52 C ATOM 732 C LYS A 724 8.616 7.349 -3.132 1.00 0.44 C ATOM 733 O LYS A 724 8.870 6.159 -3.327 1.00 0.37 O ATOM 734 CB LYS A 724 10.102 9.187 -4.023 1.00 0.67 C ATOM 735 CG LYS A 724 10.886 10.459 -3.704 1.00 1.41 C ATOM 736 CD LYS A 724 12.333 10.181 -3.330 1.00 1.48 C ATOM 737 CE LYS A 724 13.067 9.467 -4.451 1.00 0.91 C ATOM 738 NZ LYS A 724 14.534 9.445 -4.238 1.00 1.46 N ATOM 0 H LYS A 724 11.743 7.750 -2.888 1.00 0.45 H new ATOM 0 HA LYS A 724 9.387 9.007 -2.008 1.00 0.52 H new ATOM 0 HB2 LYS A 724 10.688 8.577 -4.710 1.00 0.67 H new ATOM 0 HB3 LYS A 724 9.185 9.461 -4.544 1.00 0.67 H new ATOM 0 HG2 LYS A 724 10.860 11.123 -4.568 1.00 1.41 H new ATOM 0 HG3 LYS A 724 10.398 10.985 -2.883 1.00 1.41 H new ATOM 0 HD2 LYS A 724 12.838 11.120 -3.102 1.00 1.48 H new ATOM 0 HD3 LYS A 724 12.366 9.573 -2.426 1.00 1.48 H new ATOM 0 HE2 LYS A 724 12.698 8.444 -4.530 1.00 0.91 H new ATOM 0 HE3 LYS A 724 12.847 9.960 -5.398 1.00 0.91 H new ATOM 0 HZ1 LYS A 724 14.933 8.581 -4.658 1.00 1.46 H new ATOM 0 HZ2 LYS A 724 14.963 10.279 -4.688 1.00 1.46 H new ATOM 0 HZ3 LYS A 724 14.737 9.459 -3.218 1.00 1.46 H new ATOM 752 N PRO A 725 7.362 7.853 -3.185 1.00 0.52 N ATOM 753 CA PRO A 725 6.118 7.061 -3.350 1.00 0.54 C ATOM 754 C PRO A 725 6.177 5.896 -4.345 1.00 0.49 C ATOM 755 O PRO A 725 5.383 4.969 -4.261 1.00 0.54 O ATOM 756 CB PRO A 725 5.123 8.106 -3.830 1.00 0.68 C ATOM 757 CG PRO A 725 5.541 9.347 -3.131 1.00 0.83 C ATOM 758 CD PRO A 725 7.042 9.296 -3.062 1.00 0.67 C ATOM 0 HA PRO A 725 5.874 6.556 -2.415 1.00 0.54 H new ATOM 0 HB2 PRO A 725 5.161 8.226 -4.913 1.00 0.68 H new ATOM 0 HB3 PRO A 725 4.100 7.830 -3.575 1.00 0.68 H new ATOM 0 HG2 PRO A 725 5.205 10.232 -3.672 1.00 0.83 H new ATOM 0 HG3 PRO A 725 5.106 9.399 -2.133 1.00 0.83 H new ATOM 0 HD2 PRO A 725 7.498 9.875 -3.865 1.00 0.67 H new ATOM 0 HD3 PRO A 725 7.412 9.708 -2.123 1.00 0.67 H new ATOM 766 N GLU A 726 7.091 5.960 -5.284 1.00 0.44 N ATOM 767 CA GLU A 726 7.071 5.138 -6.481 1.00 0.48 C ATOM 768 C GLU A 726 7.121 3.627 -6.244 1.00 0.51 C ATOM 769 O GLU A 726 6.892 2.853 -7.171 1.00 0.62 O ATOM 770 CB GLU A 726 8.262 5.538 -7.332 1.00 0.45 C ATOM 771 CG GLU A 726 9.600 5.081 -6.780 1.00 0.67 C ATOM 772 CD GLU A 726 10.007 3.722 -7.301 1.00 1.53 C ATOM 773 OE1 GLU A 726 10.422 2.867 -6.489 1.00 2.38 O ATOM 774 OE2 GLU A 726 9.902 3.510 -8.527 1.00 1.89 O ATOM 0 H GLU A 726 7.887 6.596 -5.241 1.00 0.44 H new ATOM 0 HA GLU A 726 6.111 5.320 -6.964 1.00 0.48 H new ATOM 0 HB2 GLU A 726 8.134 5.126 -8.333 1.00 0.45 H new ATOM 0 HB3 GLU A 726 8.274 6.623 -7.433 1.00 0.45 H new ATOM 0 HG2 GLU A 726 10.366 5.811 -7.042 1.00 0.67 H new ATOM 0 HG3 GLU A 726 9.549 5.049 -5.692 1.00 0.67 H new ATOM 781 N ASN A 727 7.397 3.189 -5.040 1.00 0.45 N ATOM 782 CA ASN A 727 7.804 1.797 -4.860 1.00 0.48 C ATOM 783 C ASN A 727 6.662 0.780 -4.763 1.00 0.48 C ATOM 784 O ASN A 727 6.874 -0.395 -5.087 1.00 0.52 O ATOM 785 CB ASN A 727 8.625 1.673 -3.589 1.00 0.51 C ATOM 786 CG ASN A 727 7.818 1.928 -2.330 1.00 1.11 C ATOM 787 OD1 ASN A 727 6.843 2.670 -2.339 1.00 1.74 O ATOM 788 ND2 ASN A 727 8.225 1.315 -1.233 1.00 1.84 N ATOM 0 H ASN A 727 7.353 3.748 -4.188 1.00 0.45 H new ATOM 0 HA ASN A 727 8.365 1.556 -5.763 1.00 0.48 H new ATOM 0 HB2 ASN A 727 9.058 0.674 -3.539 1.00 0.51 H new ATOM 0 HB3 ASN A 727 9.455 2.378 -3.630 1.00 0.51 H new ATOM 0 HD21 ASN A 727 7.723 1.452 -0.356 1.00 1.84 H new ATOM 0 HD22 ASN A 727 9.041 0.704 -1.263 1.00 1.84 H new ATOM 795 N LEU A 728 5.472 1.185 -4.344 1.00 0.48 N ATOM 796 CA LEU A 728 4.420 0.217 -4.085 1.00 0.47 C ATOM 797 C LEU A 728 3.085 0.538 -4.765 1.00 0.47 C ATOM 798 O LEU A 728 2.571 1.640 -4.638 1.00 0.63 O ATOM 799 CB LEU A 728 4.223 0.246 -2.580 1.00 0.70 C ATOM 800 CG LEU A 728 4.785 -0.927 -1.805 1.00 1.26 C ATOM 801 CD1 LEU A 728 6.265 -1.127 -2.078 1.00 1.83 C ATOM 802 CD2 LEU A 728 4.545 -0.712 -0.324 1.00 1.87 C ATOM 0 H LEU A 728 5.215 2.158 -4.179 1.00 0.48 H new ATOM 0 HA LEU A 728 4.720 -0.752 -4.485 1.00 0.47 H new ATOM 0 HB2 LEU A 728 4.676 1.159 -2.194 1.00 0.70 H new ATOM 0 HB3 LEU A 728 3.154 0.309 -2.376 1.00 0.70 H new ATOM 0 HG LEU A 728 4.272 -1.831 -2.134 1.00 1.26 H new ATOM 0 HD11 LEU A 728 6.629 -1.978 -1.503 1.00 1.83 H new ATOM 0 HD12 LEU A 728 6.417 -1.316 -3.141 1.00 1.83 H new ATOM 0 HD13 LEU A 728 6.813 -0.231 -1.787 1.00 1.83 H new ATOM 0 HD21 LEU A 728 4.949 -1.555 0.236 1.00 1.87 H new ATOM 0 HD22 LEU A 728 5.039 0.206 -0.005 1.00 1.87 H new ATOM 0 HD23 LEU A 728 3.474 -0.631 -0.137 1.00 1.87 H new ATOM 814 N ARG A 729 2.535 -0.431 -5.509 1.00 0.36 N ATOM 815 CA ARG A 729 1.097 -0.466 -5.788 1.00 0.41 C ATOM 816 C ARG A 729 0.646 -1.906 -6.077 1.00 0.32 C ATOM 817 O ARG A 729 1.113 -2.522 -7.022 1.00 0.34 O ATOM 818 CB ARG A 729 0.736 0.441 -6.980 1.00 0.56 C ATOM 819 CG ARG A 729 1.091 -0.139 -8.349 1.00 0.70 C ATOM 820 CD ARG A 729 2.593 -0.251 -8.547 1.00 0.54 C ATOM 821 NE ARG A 729 3.163 1.077 -8.807 1.00 1.21 N ATOM 822 CZ ARG A 729 4.402 1.460 -8.518 1.00 1.75 C ATOM 823 NH1 ARG A 729 5.216 0.664 -7.850 1.00 2.18 N ATOM 824 NH2 ARG A 729 4.820 2.665 -8.890 1.00 2.58 N ATOM 0 H ARG A 729 3.063 -1.197 -5.926 1.00 0.36 H new ATOM 0 HA ARG A 729 0.578 -0.094 -4.905 1.00 0.41 H new ATOM 0 HB2 ARG A 729 -0.334 0.646 -6.953 1.00 0.56 H new ATOM 0 HB3 ARG A 729 1.247 1.396 -6.861 1.00 0.56 H new ATOM 0 HG2 ARG A 729 0.637 -1.124 -8.454 1.00 0.70 H new ATOM 0 HG3 ARG A 729 0.668 0.492 -9.131 1.00 0.70 H new ATOM 0 HD2 ARG A 729 3.054 -0.687 -7.661 1.00 0.54 H new ATOM 0 HD3 ARG A 729 2.810 -0.919 -9.381 1.00 0.54 H new ATOM 0 HE ARG A 729 2.554 1.766 -9.248 1.00 1.21 H new ATOM 0 HH11 ARG A 729 4.896 -0.257 -7.550 1.00 2.18 H new ATOM 0 HH12 ARG A 729 6.165 0.970 -7.634 1.00 2.18 H new ATOM 0 HH21 ARG A 729 4.191 3.290 -9.394 1.00 2.58 H new ATOM 0 HH22 ARG A 729 5.770 2.965 -8.671 1.00 2.58 H new ATOM 838 N LEU A 730 -0.164 -2.496 -5.231 1.00 0.32 N ATOM 839 CA LEU A 730 -0.974 -3.647 -5.637 1.00 0.34 C ATOM 840 C LEU A 730 -2.121 -3.803 -4.665 1.00 0.42 C ATOM 841 O LEU A 730 -1.852 -4.362 -3.654 1.00 0.73 O ATOM 842 CB LEU A 730 -0.080 -4.885 -5.552 1.00 0.37 C ATOM 843 CG LEU A 730 -0.523 -6.132 -6.327 1.00 0.53 C ATOM 844 CD1 LEU A 730 -1.814 -6.720 -5.782 1.00 1.23 C ATOM 845 CD2 LEU A 730 -0.666 -5.819 -7.807 1.00 1.22 C ATOM 0 H LEU A 730 -0.288 -2.209 -4.260 1.00 0.32 H new ATOM 0 HA LEU A 730 -1.365 -3.516 -6.646 1.00 0.34 H new ATOM 0 HB2 LEU A 730 0.914 -4.607 -5.902 1.00 0.37 H new ATOM 0 HB3 LEU A 730 0.017 -5.159 -4.501 1.00 0.37 H new ATOM 0 HG LEU A 730 0.255 -6.884 -6.196 1.00 0.53 H new ATOM 0 HD11 LEU A 730 -2.087 -7.601 -6.363 1.00 1.23 H new ATOM 0 HD12 LEU A 730 -1.673 -7.003 -4.739 1.00 1.23 H new ATOM 0 HD13 LEU A 730 -2.610 -5.978 -5.852 1.00 1.23 H new ATOM 0 HD21 LEU A 730 -0.981 -6.716 -8.340 1.00 1.22 H new ATOM 0 HD22 LEU A 730 -1.412 -5.036 -7.943 1.00 1.22 H new ATOM 0 HD23 LEU A 730 0.292 -5.480 -8.201 1.00 1.22 H new ATOM 857 N ALA A 731 -3.384 -3.528 -4.948 1.00 0.34 N ATOM 858 CA ALA A 731 -4.342 -3.657 -3.859 1.00 0.37 C ATOM 859 C ALA A 731 -5.441 -4.634 -4.190 1.00 0.37 C ATOM 860 O ALA A 731 -6.229 -4.403 -5.102 1.00 0.50 O ATOM 861 CB ALA A 731 -4.938 -2.306 -3.500 1.00 0.46 C ATOM 0 H ALA A 731 -3.753 -3.235 -5.852 1.00 0.34 H new ATOM 0 HA ALA A 731 -3.797 -4.045 -2.999 1.00 0.37 H new ATOM 0 HB1 ALA A 731 -5.651 -2.428 -2.684 1.00 0.46 H new ATOM 0 HB2 ALA A 731 -4.143 -1.629 -3.189 1.00 0.46 H new ATOM 0 HB3 ALA A 731 -5.449 -1.891 -4.369 1.00 0.46 H new ATOM 867 N GLU A 732 -5.556 -5.662 -3.366 1.00 0.39 N ATOM 868 CA GLU A 732 -6.514 -6.717 -3.589 1.00 0.46 C ATOM 869 C GLU A 732 -7.596 -6.730 -2.539 1.00 0.57 C ATOM 870 O GLU A 732 -7.327 -6.876 -1.357 1.00 0.66 O ATOM 871 CB GLU A 732 -5.794 -8.064 -3.603 1.00 0.66 C ATOM 872 CG GLU A 732 -5.080 -8.410 -2.304 1.00 0.76 C ATOM 873 CD GLU A 732 -4.661 -9.862 -2.241 1.00 0.78 C ATOM 874 OE1 GLU A 732 -3.712 -10.240 -2.956 1.00 1.02 O ATOM 875 OE2 GLU A 732 -5.265 -10.628 -1.462 1.00 1.19 O ATOM 0 H GLU A 732 -4.987 -5.783 -2.528 1.00 0.39 H new ATOM 0 HA GLU A 732 -6.992 -6.535 -4.552 1.00 0.46 H new ATOM 0 HB2 GLU A 732 -6.519 -8.847 -3.824 1.00 0.66 H new ATOM 0 HB3 GLU A 732 -5.066 -8.065 -4.414 1.00 0.66 H new ATOM 0 HG2 GLU A 732 -4.199 -7.776 -2.198 1.00 0.76 H new ATOM 0 HG3 GLU A 732 -5.736 -8.188 -1.462 1.00 0.76 H new ATOM 882 N VAL A 733 -8.830 -6.652 -2.996 1.00 0.69 N ATOM 883 CA VAL A 733 -9.963 -6.567 -2.100 1.00 0.90 C ATOM 884 C VAL A 733 -10.325 -7.923 -1.517 1.00 1.17 C ATOM 885 O VAL A 733 -10.166 -8.956 -2.165 1.00 1.35 O ATOM 886 CB VAL A 733 -11.207 -5.937 -2.730 1.00 1.19 C ATOM 887 CG1 VAL A 733 -11.643 -4.774 -1.866 1.00 1.64 C ATOM 888 CG2 VAL A 733 -10.975 -5.490 -4.161 1.00 1.64 C ATOM 0 H VAL A 733 -9.073 -6.646 -3.987 1.00 0.69 H new ATOM 0 HA VAL A 733 -9.632 -5.902 -1.302 1.00 0.90 H new ATOM 0 HB VAL A 733 -11.992 -6.692 -2.776 1.00 1.19 H new ATOM 0 HG11 VAL A 733 -12.530 -4.311 -2.299 1.00 1.64 H new ATOM 0 HG12 VAL A 733 -11.874 -5.133 -0.863 1.00 1.64 H new ATOM 0 HG13 VAL A 733 -10.840 -4.039 -1.812 1.00 1.64 H new ATOM 0 HG21 VAL A 733 -11.890 -5.051 -4.558 1.00 1.64 H new ATOM 0 HG22 VAL A 733 -10.176 -4.749 -4.186 1.00 1.64 H new ATOM 0 HG23 VAL A 733 -10.691 -6.349 -4.769 1.00 1.64 H new ATOM 898 N ILE A 734 -10.795 -7.896 -0.280 1.00 1.30 N ATOM 899 CA ILE A 734 -11.080 -9.083 0.492 1.00 1.65 C ATOM 900 C ILE A 734 -12.601 -9.322 0.458 1.00 1.93 C ATOM 901 O ILE A 734 -13.234 -8.817 -0.454 1.00 2.17 O ATOM 902 CB ILE A 734 -10.520 -8.828 1.914 1.00 1.81 C ATOM 903 CG1 ILE A 734 -9.968 -10.099 2.557 1.00 1.91 C ATOM 904 CG2 ILE A 734 -11.520 -8.119 2.832 1.00 2.43 C ATOM 905 CD1 ILE A 734 -10.998 -11.077 3.077 1.00 2.42 C ATOM 0 H ILE A 734 -10.991 -7.029 0.220 1.00 1.30 H new ATOM 0 HA ILE A 734 -10.614 -9.987 0.099 1.00 1.65 H new ATOM 0 HB ILE A 734 -9.682 -8.143 1.782 1.00 1.81 H new ATOM 0 HG12 ILE A 734 -9.345 -10.612 1.825 1.00 1.91 H new ATOM 0 HG13 ILE A 734 -9.318 -9.812 3.383 1.00 1.91 H new ATOM 0 HG21 ILE A 734 -11.070 -7.969 3.813 1.00 2.43 H new ATOM 0 HG22 ILE A 734 -11.786 -7.153 2.403 1.00 2.43 H new ATOM 0 HG23 ILE A 734 -12.417 -8.730 2.934 1.00 2.43 H new ATOM 0 HD11 ILE A 734 -10.494 -11.940 3.511 1.00 2.42 H new ATOM 0 HD12 ILE A 734 -11.608 -10.592 3.839 1.00 2.42 H new ATOM 0 HD13 ILE A 734 -11.636 -11.405 2.256 1.00 2.42 H new ATOM 917 N LYS A 735 -13.207 -9.943 1.478 1.00 2.29 N ATOM 918 CA LYS A 735 -14.512 -10.629 1.362 1.00 2.61 C ATOM 919 C LYS A 735 -14.946 -10.834 -0.110 1.00 2.77 C ATOM 920 O LYS A 735 -14.122 -11.212 -0.942 1.00 2.76 O ATOM 921 CB LYS A 735 -15.566 -9.808 2.120 1.00 2.76 C ATOM 922 CG LYS A 735 -16.810 -10.596 2.523 1.00 3.27 C ATOM 923 CD LYS A 735 -16.478 -11.706 3.505 1.00 3.69 C ATOM 924 CE LYS A 735 -15.925 -11.154 4.811 1.00 3.70 C ATOM 925 NZ LYS A 735 -15.594 -12.234 5.776 1.00 4.16 N ATOM 0 H LYS A 735 -12.808 -9.987 2.416 1.00 2.29 H new ATOM 0 HA LYS A 735 -14.415 -11.624 1.797 1.00 2.61 H new ATOM 0 HB2 LYS A 735 -15.108 -9.392 3.017 1.00 2.76 H new ATOM 0 HB3 LYS A 735 -15.870 -8.966 1.497 1.00 2.76 H new ATOM 0 HG2 LYS A 735 -17.540 -9.921 2.970 1.00 3.27 H new ATOM 0 HG3 LYS A 735 -17.274 -11.023 1.634 1.00 3.27 H new ATOM 0 HD2 LYS A 735 -17.374 -12.293 3.708 1.00 3.69 H new ATOM 0 HD3 LYS A 735 -15.749 -12.382 3.058 1.00 3.69 H new ATOM 0 HE2 LYS A 735 -15.031 -10.565 4.606 1.00 3.70 H new ATOM 0 HE3 LYS A 735 -16.656 -10.480 5.258 1.00 3.70 H new ATOM 0 HZ1 LYS A 735 -15.221 -11.815 6.652 1.00 4.16 H new ATOM 0 HZ2 LYS A 735 -16.452 -12.781 5.992 1.00 4.16 H new ATOM 0 HZ3 LYS A 735 -14.878 -12.863 5.361 1.00 4.16 H new ATOM 939 N ASN A 736 -16.240 -10.726 -0.403 1.00 3.04 N ATOM 940 CA ASN A 736 -16.779 -11.063 -1.733 1.00 3.32 C ATOM 941 C ASN A 736 -16.052 -10.309 -2.866 1.00 3.14 C ATOM 942 O ASN A 736 -16.182 -10.662 -4.039 1.00 3.36 O ATOM 943 CB ASN A 736 -18.280 -10.739 -1.775 1.00 3.66 C ATOM 944 CG ASN A 736 -19.067 -11.569 -2.785 1.00 4.18 C ATOM 945 OD1 ASN A 736 -20.254 -11.828 -2.589 1.00 4.64 O ATOM 946 ND2 ASN A 736 -18.431 -11.987 -3.869 1.00 4.60 N ATOM 0 H ASN A 736 -16.944 -10.406 0.262 1.00 3.04 H new ATOM 0 HA ASN A 736 -16.618 -12.129 -1.894 1.00 3.32 H new ATOM 0 HB2 ASN A 736 -18.703 -10.897 -0.783 1.00 3.66 H new ATOM 0 HB3 ASN A 736 -18.407 -9.682 -2.011 1.00 3.66 H new ATOM 0 HD21 ASN A 736 -18.926 -12.540 -4.569 1.00 4.60 H new ATOM 0 HD22 ASN A 736 -17.447 -11.756 -4.004 1.00 4.60 H new ATOM 953 N ARG A 737 -15.290 -9.277 -2.523 1.00 2.79 N ATOM 954 CA ARG A 737 -14.487 -8.568 -3.513 1.00 2.61 C ATOM 955 C ARG A 737 -13.399 -9.517 -4.030 1.00 2.47 C ATOM 956 O ARG A 737 -12.730 -10.190 -3.248 1.00 3.05 O ATOM 957 CB ARG A 737 -13.837 -7.325 -2.897 1.00 2.49 C ATOM 958 CG ARG A 737 -14.679 -6.622 -1.854 1.00 2.59 C ATOM 959 CD ARG A 737 -16.065 -6.252 -2.358 1.00 3.00 C ATOM 960 NE ARG A 737 -16.881 -5.669 -1.292 1.00 3.54 N ATOM 961 CZ ARG A 737 -18.061 -6.153 -0.904 1.00 4.23 C ATOM 962 NH1 ARG A 737 -18.608 -7.178 -1.548 1.00 4.51 N ATOM 963 NH2 ARG A 737 -18.709 -5.591 0.110 1.00 4.95 N ATOM 0 H ARG A 737 -15.211 -8.914 -1.573 1.00 2.79 H new ATOM 0 HA ARG A 737 -15.129 -8.245 -4.332 1.00 2.61 H new ATOM 0 HB2 ARG A 737 -12.889 -7.614 -2.444 1.00 2.49 H new ATOM 0 HB3 ARG A 737 -13.607 -6.619 -3.695 1.00 2.49 H new ATOM 0 HG2 ARG A 737 -14.776 -7.266 -0.980 1.00 2.59 H new ATOM 0 HG3 ARG A 737 -14.164 -5.718 -1.528 1.00 2.59 H new ATOM 0 HD2 ARG A 737 -15.978 -5.543 -3.181 1.00 3.00 H new ATOM 0 HD3 ARG A 737 -16.559 -7.139 -2.753 1.00 3.00 H new ATOM 0 HE ARG A 737 -16.524 -4.840 -0.816 1.00 3.54 H new ATOM 0 HH11 ARG A 737 -18.125 -7.598 -2.342 1.00 4.51 H new ATOM 0 HH12 ARG A 737 -19.511 -7.545 -1.248 1.00 4.51 H new ATOM 0 HH21 ARG A 737 -18.304 -4.789 0.592 1.00 4.95 H new ATOM 0 HH22 ARG A 737 -19.612 -5.962 0.406 1.00 4.95 H new ATOM 977 N PHE A 738 -13.220 -9.572 -5.338 1.00 2.24 N ATOM 978 CA PHE A 738 -12.361 -10.582 -5.952 1.00 2.27 C ATOM 979 C PHE A 738 -10.916 -10.105 -6.132 1.00 2.12 C ATOM 980 O PHE A 738 -10.419 -10.036 -7.257 1.00 2.16 O ATOM 981 CB PHE A 738 -12.957 -11.022 -7.300 1.00 2.70 C ATOM 982 CG PHE A 738 -13.425 -9.888 -8.182 1.00 3.11 C ATOM 983 CD1 PHE A 738 -12.584 -9.348 -9.145 1.00 3.38 C ATOM 984 CD2 PHE A 738 -14.699 -9.356 -8.043 1.00 3.68 C ATOM 985 CE1 PHE A 738 -13.004 -8.305 -9.947 1.00 4.26 C ATOM 986 CE2 PHE A 738 -15.122 -8.313 -8.844 1.00 4.52 C ATOM 987 CZ PHE A 738 -14.300 -7.813 -9.816 1.00 4.83 C ATOM 0 H PHE A 738 -13.656 -8.931 -6.000 1.00 2.24 H new ATOM 0 HA PHE A 738 -12.323 -11.432 -5.271 1.00 2.27 H new ATOM 0 HB2 PHE A 738 -12.209 -11.601 -7.841 1.00 2.70 H new ATOM 0 HB3 PHE A 738 -13.799 -11.688 -7.110 1.00 2.70 H new ATOM 0 HD1 PHE A 738 -11.589 -9.748 -9.269 1.00 3.38 H new ATOM 0 HD2 PHE A 738 -15.368 -9.762 -7.299 1.00 3.68 H new ATOM 0 HE1 PHE A 738 -12.330 -7.873 -10.672 1.00 4.26 H new ATOM 0 HE2 PHE A 738 -16.106 -7.891 -8.702 1.00 4.52 H new ATOM 0 HZ PHE A 738 -14.655 -7.039 -10.480 1.00 4.83 H new ATOM 997 N HIS A 739 -10.231 -9.805 -5.017 1.00 2.05 N ATOM 998 CA HIS A 739 -8.834 -9.342 -5.065 1.00 2.04 C ATOM 999 C HIS A 739 -8.741 -8.061 -5.884 1.00 1.03 C ATOM 1000 O HIS A 739 -9.762 -7.420 -6.093 1.00 1.01 O ATOM 1001 CB HIS A 739 -7.917 -10.419 -5.661 1.00 2.97 C ATOM 1002 CG HIS A 739 -7.629 -11.563 -4.736 1.00 3.97 C ATOM 1003 ND1 HIS A 739 -6.353 -11.896 -4.342 1.00 4.79 N ATOM 1004 CD2 HIS A 739 -8.451 -12.461 -4.139 1.00 4.68 C ATOM 1005 CE1 HIS A 739 -6.398 -12.946 -3.547 1.00 5.74 C ATOM 1006 NE2 HIS A 739 -7.658 -13.311 -3.406 1.00 5.71 N ATOM 0 H HIS A 739 -10.619 -9.874 -4.076 1.00 2.05 H new ATOM 0 HA HIS A 739 -8.503 -9.142 -4.046 1.00 2.04 H new ATOM 0 HB2 HIS A 739 -8.376 -10.808 -6.570 1.00 2.97 H new ATOM 0 HB3 HIS A 739 -6.974 -9.956 -5.953 1.00 2.97 H new ATOM 0 HD2 HIS A 739 -9.527 -12.501 -4.224 1.00 4.68 H new ATOM 0 HE1 HIS A 739 -5.547 -13.427 -3.088 1.00 5.74 H new ATOM 0 HE2 HIS A 739 -7.989 -14.096 -2.845 1.00 5.71 H new ATOM 1015 N ARG A 740 -7.514 -7.663 -6.272 1.00 0.94 N ATOM 1016 CA ARG A 740 -7.288 -6.577 -7.250 1.00 1.03 C ATOM 1017 C ARG A 740 -5.851 -6.031 -7.202 1.00 0.82 C ATOM 1018 O ARG A 740 -4.931 -6.665 -6.683 1.00 1.05 O ATOM 1019 CB ARG A 740 -8.257 -5.395 -7.052 1.00 2.21 C ATOM 1020 CG ARG A 740 -9.303 -5.275 -8.151 1.00 3.05 C ATOM 1021 CD ARG A 740 -8.650 -5.225 -9.519 1.00 4.00 C ATOM 1022 NE ARG A 740 -9.622 -5.113 -10.600 1.00 4.84 N ATOM 1023 CZ ARG A 740 -9.498 -5.727 -11.774 1.00 5.81 C ATOM 1024 NH1 ARG A 740 -8.477 -6.550 -11.993 1.00 6.12 N ATOM 1025 NH2 ARG A 740 -10.400 -5.529 -12.726 1.00 6.71 N ATOM 0 H ARG A 740 -6.654 -8.082 -5.919 1.00 0.94 H new ATOM 0 HA ARG A 740 -7.469 -7.036 -8.222 1.00 1.03 H new ATOM 0 HB2 ARG A 740 -8.761 -5.506 -6.092 1.00 2.21 H new ATOM 0 HB3 ARG A 740 -7.683 -4.469 -7.005 1.00 2.21 H new ATOM 0 HG2 ARG A 740 -9.987 -6.122 -8.101 1.00 3.05 H new ATOM 0 HG3 ARG A 740 -9.898 -4.375 -7.995 1.00 3.05 H new ATOM 0 HD2 ARG A 740 -7.966 -4.377 -9.561 1.00 4.00 H new ATOM 0 HD3 ARG A 740 -8.052 -6.124 -9.665 1.00 4.00 H new ATOM 0 HE ARG A 740 -10.445 -4.530 -10.447 1.00 4.84 H new ATOM 0 HH11 ARG A 740 -7.786 -6.712 -11.260 1.00 6.12 H new ATOM 0 HH12 ARG A 740 -8.384 -7.019 -12.894 1.00 6.12 H new ATOM 0 HH21 ARG A 740 -11.190 -4.906 -12.559 1.00 6.71 H new ATOM 0 HH22 ARG A 740 -10.304 -6.000 -13.626 1.00 6.71 H new ATOM 1039 N VAL A 741 -5.747 -4.779 -7.650 1.00 0.58 N ATOM 1040 CA VAL A 741 -4.512 -4.050 -7.899 1.00 0.46 C ATOM 1041 C VAL A 741 -4.705 -2.656 -7.309 1.00 0.43 C ATOM 1042 O VAL A 741 -5.822 -2.289 -7.027 1.00 0.46 O ATOM 1043 CB VAL A 741 -4.203 -3.934 -9.405 1.00 0.47 C ATOM 1044 CG1 VAL A 741 -3.765 -5.273 -9.968 1.00 1.38 C ATOM 1045 CG2 VAL A 741 -5.409 -3.399 -10.165 1.00 1.06 C ATOM 0 H VAL A 741 -6.573 -4.218 -7.859 1.00 0.58 H new ATOM 0 HA VAL A 741 -3.673 -4.578 -7.445 1.00 0.46 H new ATOM 0 HB VAL A 741 -3.383 -3.227 -9.529 1.00 0.47 H new ATOM 0 HG11 VAL A 741 -3.552 -5.168 -11.032 1.00 1.38 H new ATOM 0 HG12 VAL A 741 -2.867 -5.610 -9.450 1.00 1.38 H new ATOM 0 HG13 VAL A 741 -4.561 -6.005 -9.828 1.00 1.38 H new ATOM 0 HG21 VAL A 741 -5.168 -3.326 -11.225 1.00 1.06 H new ATOM 0 HG22 VAL A 741 -6.253 -4.076 -10.031 1.00 1.06 H new ATOM 0 HG23 VAL A 741 -5.671 -2.412 -9.783 1.00 1.06 H new ATOM 1055 N PHE A 742 -3.652 -1.917 -7.005 1.00 0.42 N ATOM 1056 CA PHE A 742 -3.850 -0.640 -6.345 1.00 0.42 C ATOM 1057 C PHE A 742 -3.953 0.499 -7.351 1.00 0.45 C ATOM 1058 O PHE A 742 -2.986 0.855 -8.024 1.00 0.55 O ATOM 1059 CB PHE A 742 -2.740 -0.414 -5.336 1.00 0.56 C ATOM 1060 CG PHE A 742 -2.790 0.901 -4.649 1.00 0.46 C ATOM 1061 CD1 PHE A 742 -1.625 1.575 -4.469 1.00 1.03 C ATOM 1062 CD2 PHE A 742 -3.978 1.461 -4.207 1.00 0.72 C ATOM 1063 CE1 PHE A 742 -1.609 2.805 -3.848 1.00 1.44 C ATOM 1064 CE2 PHE A 742 -3.979 2.691 -3.579 1.00 0.75 C ATOM 1065 CZ PHE A 742 -2.789 3.368 -3.403 1.00 1.13 C ATOM 0 H PHE A 742 -2.682 -2.168 -7.197 1.00 0.42 H new ATOM 0 HA PHE A 742 -4.800 -0.660 -5.811 1.00 0.42 H new ATOM 0 HB2 PHE A 742 -2.782 -1.203 -4.586 1.00 0.56 H new ATOM 0 HB3 PHE A 742 -1.780 -0.508 -5.844 1.00 0.56 H new ATOM 0 HD1 PHE A 742 -0.699 1.141 -4.817 1.00 1.03 H new ATOM 0 HD2 PHE A 742 -4.908 0.933 -4.354 1.00 0.72 H new ATOM 0 HE1 PHE A 742 -0.674 3.328 -3.709 1.00 1.44 H new ATOM 0 HE2 PHE A 742 -4.905 3.121 -3.228 1.00 0.75 H new ATOM 0 HZ PHE A 742 -2.781 4.334 -2.919 1.00 1.13 H new ATOM 1075 N LEU A 743 -5.156 1.043 -7.432 1.00 0.48 N ATOM 1076 CA LEU A 743 -5.499 2.072 -8.397 1.00 0.61 C ATOM 1077 C LEU A 743 -5.293 3.482 -7.854 1.00 0.55 C ATOM 1078 O LEU A 743 -5.241 3.689 -6.641 1.00 0.48 O ATOM 1079 CB LEU A 743 -6.952 1.897 -8.851 1.00 0.78 C ATOM 1080 CG LEU A 743 -7.262 0.582 -9.571 1.00 1.02 C ATOM 1081 CD1 LEU A 743 -8.737 0.509 -9.936 1.00 1.50 C ATOM 1082 CD2 LEU A 743 -6.397 0.436 -10.812 1.00 1.67 C ATOM 0 H LEU A 743 -5.930 0.779 -6.822 1.00 0.48 H new ATOM 0 HA LEU A 743 -4.824 1.953 -9.245 1.00 0.61 H new ATOM 0 HB2 LEU A 743 -7.599 1.974 -7.978 1.00 0.78 H new ATOM 0 HB3 LEU A 743 -7.210 2.724 -9.513 1.00 0.78 H new ATOM 0 HG LEU A 743 -7.034 -0.242 -8.895 1.00 1.02 H new ATOM 0 HD11 LEU A 743 -8.939 -0.432 -10.447 1.00 1.50 H new ATOM 0 HD12 LEU A 743 -9.339 0.566 -9.029 1.00 1.50 H new ATOM 0 HD13 LEU A 743 -8.991 1.341 -10.593 1.00 1.50 H new ATOM 0 HD21 LEU A 743 -6.632 -0.505 -11.310 1.00 1.67 H new ATOM 0 HD22 LEU A 743 -6.593 1.265 -11.492 1.00 1.67 H new ATOM 0 HD23 LEU A 743 -5.345 0.442 -10.525 1.00 1.67 H new ATOM 1094 N PRO A 744 -5.153 4.457 -8.771 1.00 0.66 N ATOM 1095 CA PRO A 744 -5.193 5.895 -8.457 1.00 0.67 C ATOM 1096 C PRO A 744 -6.402 6.277 -7.590 1.00 0.62 C ATOM 1097 O PRO A 744 -7.301 5.463 -7.387 1.00 0.64 O ATOM 1098 CB PRO A 744 -5.289 6.555 -9.833 1.00 0.80 C ATOM 1099 CG PRO A 744 -4.623 5.597 -10.754 1.00 1.06 C ATOM 1100 CD PRO A 744 -4.921 4.226 -10.214 1.00 0.83 C ATOM 0 HA PRO A 744 -4.324 6.208 -7.878 1.00 0.67 H new ATOM 0 HB2 PRO A 744 -6.327 6.725 -10.120 1.00 0.80 H new ATOM 0 HB3 PRO A 744 -4.793 7.525 -9.843 1.00 0.80 H new ATOM 0 HG2 PRO A 744 -5.001 5.706 -11.770 1.00 1.06 H new ATOM 0 HG3 PRO A 744 -3.548 5.776 -10.792 1.00 1.06 H new ATOM 0 HD2 PRO A 744 -5.796 3.788 -10.695 1.00 0.83 H new ATOM 0 HD3 PRO A 744 -4.090 3.541 -10.381 1.00 0.83 H new ATOM 1108 N SER A 745 -6.401 7.508 -7.076 1.00 0.64 N ATOM 1109 CA SER A 745 -7.401 7.980 -6.104 1.00 0.67 C ATOM 1110 C SER A 745 -8.814 7.441 -6.397 1.00 0.73 C ATOM 1111 O SER A 745 -9.406 7.743 -7.433 1.00 0.78 O ATOM 1112 CB SER A 745 -7.429 9.509 -6.126 1.00 0.74 C ATOM 1113 OG SER A 745 -6.119 10.044 -6.265 1.00 1.20 O ATOM 0 H SER A 745 -5.705 8.213 -7.320 1.00 0.64 H new ATOM 0 HA SER A 745 -7.110 7.606 -5.122 1.00 0.67 H new ATOM 0 HB2 SER A 745 -8.054 9.852 -6.950 1.00 0.74 H new ATOM 0 HB3 SER A 745 -7.881 9.881 -5.206 1.00 0.74 H new ATOM 0 HG SER A 745 -5.915 10.166 -7.216 1.00 1.20 H new ATOM 1119 N HIS A 746 -9.336 6.629 -5.475 1.00 0.81 N ATOM 1120 CA HIS A 746 -10.643 5.991 -5.637 1.00 0.91 C ATOM 1121 C HIS A 746 -11.326 5.782 -4.287 1.00 0.96 C ATOM 1122 O HIS A 746 -10.681 5.838 -3.248 1.00 1.15 O ATOM 1123 CB HIS A 746 -10.502 4.640 -6.344 1.00 1.10 C ATOM 1124 CG HIS A 746 -10.597 4.724 -7.839 1.00 2.08 C ATOM 1125 ND1 HIS A 746 -11.781 4.953 -8.503 1.00 2.92 N ATOM 1126 CD2 HIS A 746 -9.650 4.610 -8.800 1.00 2.98 C ATOM 1127 CE1 HIS A 746 -11.559 4.978 -9.803 1.00 3.88 C ATOM 1128 NE2 HIS A 746 -10.272 4.773 -10.010 1.00 3.89 N ATOM 0 H HIS A 746 -8.867 6.396 -4.600 1.00 0.81 H new ATOM 0 HA HIS A 746 -11.257 6.656 -6.245 1.00 0.91 H new ATOM 0 HB2 HIS A 746 -9.542 4.198 -6.075 1.00 1.10 H new ATOM 0 HB3 HIS A 746 -11.277 3.967 -5.978 1.00 1.10 H new ATOM 0 HD2 HIS A 746 -8.598 4.425 -8.642 1.00 2.98 H new ATOM 0 HE1 HIS A 746 -12.304 5.139 -10.568 1.00 3.88 H new ATOM 0 HE2 HIS A 746 -9.815 4.741 -10.921 1.00 3.89 H new ATOM 1137 N SER A 747 -12.628 5.479 -4.351 1.00 0.93 N ATOM 1138 CA SER A 747 -13.544 5.352 -3.192 1.00 1.06 C ATOM 1139 C SER A 747 -13.105 4.321 -2.134 1.00 1.39 C ATOM 1140 O SER A 747 -13.810 4.097 -1.150 1.00 1.67 O ATOM 1141 CB SER A 747 -14.942 4.994 -3.701 1.00 1.10 C ATOM 1142 OG SER A 747 -15.358 5.892 -4.722 1.00 1.34 O ATOM 0 H SER A 747 -13.098 5.308 -5.240 1.00 0.93 H new ATOM 0 HA SER A 747 -13.531 6.318 -2.687 1.00 1.06 H new ATOM 0 HB2 SER A 747 -14.943 3.974 -4.086 1.00 1.10 H new ATOM 0 HB3 SER A 747 -15.652 5.023 -2.875 1.00 1.10 H new ATOM 0 HG SER A 747 -16.253 5.642 -5.033 1.00 1.34 H new ATOM 1148 N LEU A 748 -11.971 3.683 -2.362 1.00 1.54 N ATOM 1149 CA LEU A 748 -11.529 2.499 -1.624 1.00 1.97 C ATOM 1150 C LEU A 748 -11.190 2.769 -0.136 1.00 1.72 C ATOM 1151 O LEU A 748 -10.592 1.924 0.522 1.00 2.07 O ATOM 1152 CB LEU A 748 -10.301 1.935 -2.347 1.00 2.49 C ATOM 1153 CG LEU A 748 -9.826 0.554 -1.899 1.00 3.04 C ATOM 1154 CD1 LEU A 748 -10.903 -0.489 -2.153 1.00 3.71 C ATOM 1155 CD2 LEU A 748 -8.537 0.194 -2.619 1.00 3.52 C ATOM 0 H LEU A 748 -11.311 3.976 -3.082 1.00 1.54 H new ATOM 0 HA LEU A 748 -12.357 1.790 -1.606 1.00 1.97 H new ATOM 0 HB2 LEU A 748 -10.522 1.891 -3.413 1.00 2.49 H new ATOM 0 HB3 LEU A 748 -9.477 2.638 -2.221 1.00 2.49 H new ATOM 0 HG LEU A 748 -9.630 0.576 -0.827 1.00 3.04 H new ATOM 0 HD11 LEU A 748 -10.547 -1.466 -1.828 1.00 3.71 H new ATOM 0 HD12 LEU A 748 -11.802 -0.227 -1.596 1.00 3.71 H new ATOM 0 HD13 LEU A 748 -11.133 -0.523 -3.218 1.00 3.71 H new ATOM 0 HD21 LEU A 748 -8.203 -0.792 -2.296 1.00 3.52 H new ATOM 0 HD22 LEU A 748 -8.712 0.183 -3.695 1.00 3.52 H new ATOM 0 HD23 LEU A 748 -7.770 0.932 -2.384 1.00 3.52 H new ATOM 1167 N ASP A 749 -11.556 3.928 0.405 1.00 1.20 N ATOM 1168 CA ASP A 749 -11.234 4.255 1.807 1.00 0.97 C ATOM 1169 C ASP A 749 -12.227 3.636 2.792 1.00 0.91 C ATOM 1170 O ASP A 749 -12.382 4.120 3.911 1.00 1.13 O ATOM 1171 CB ASP A 749 -11.188 5.771 2.023 1.00 0.85 C ATOM 1172 CG ASP A 749 -12.545 6.450 1.949 1.00 1.47 C ATOM 1173 OD1 ASP A 749 -13.022 6.709 0.823 1.00 2.36 O ATOM 1174 OD2 ASP A 749 -13.108 6.772 3.017 1.00 1.85 O ATOM 0 H ASP A 749 -12.070 4.655 -0.093 1.00 1.20 H new ATOM 0 HA ASP A 749 -10.250 3.828 2.001 1.00 0.97 H new ATOM 0 HB2 ASP A 749 -10.744 5.975 2.998 1.00 0.85 H new ATOM 0 HB3 ASP A 749 -10.531 6.214 1.275 1.00 0.85 H new ATOM 1179 N THR A 750 -12.850 2.538 2.407 1.00 1.03 N ATOM 1180 CA THR A 750 -13.839 1.893 3.255 1.00 1.16 C ATOM 1181 C THR A 750 -13.178 1.070 4.360 1.00 1.58 C ATOM 1182 O THR A 750 -12.085 0.519 4.183 1.00 2.13 O ATOM 1183 CB THR A 750 -14.767 1.003 2.413 1.00 1.60 C ATOM 1184 OG1 THR A 750 -14.028 0.431 1.324 1.00 2.42 O ATOM 1185 CG2 THR A 750 -15.948 1.801 1.880 1.00 2.13 C ATOM 0 H THR A 750 -12.690 2.073 1.513 1.00 1.03 H new ATOM 0 HA THR A 750 -14.431 2.676 3.729 1.00 1.16 H new ATOM 0 HB THR A 750 -15.154 0.206 3.048 1.00 1.60 H new ATOM 0 HG1 THR A 750 -14.621 -0.137 0.789 1.00 2.42 H new ATOM 0 HG21 THR A 750 -16.590 1.149 1.287 1.00 2.13 H new ATOM 0 HG22 THR A 750 -16.517 2.210 2.715 1.00 2.13 H new ATOM 0 HG23 THR A 750 -15.584 2.617 1.255 1.00 2.13 H new ATOM 1193 N VAL A 751 -13.850 1.007 5.504 1.00 1.82 N ATOM 1194 CA VAL A 751 -13.290 0.402 6.705 1.00 2.44 C ATOM 1195 C VAL A 751 -13.377 -1.120 6.666 1.00 2.14 C ATOM 1196 O VAL A 751 -14.440 -1.700 6.885 1.00 2.27 O ATOM 1197 CB VAL A 751 -14.011 0.912 7.971 1.00 3.43 C ATOM 1198 CG1 VAL A 751 -13.317 0.411 9.231 1.00 4.06 C ATOM 1199 CG2 VAL A 751 -14.093 2.432 7.969 1.00 4.17 C ATOM 0 H VAL A 751 -14.795 1.373 5.624 1.00 1.82 H new ATOM 0 HA VAL A 751 -12.240 0.694 6.740 1.00 2.44 H new ATOM 0 HB VAL A 751 -15.026 0.516 7.964 1.00 3.43 H new ATOM 0 HG11 VAL A 751 -13.844 0.784 10.109 1.00 4.06 H new ATOM 0 HG12 VAL A 751 -13.322 -0.679 9.240 1.00 4.06 H new ATOM 0 HG13 VAL A 751 -12.288 0.769 9.246 1.00 4.06 H new ATOM 0 HG21 VAL A 751 -14.605 2.770 8.870 1.00 4.17 H new ATOM 0 HG22 VAL A 751 -13.087 2.851 7.945 1.00 4.17 H new ATOM 0 HG23 VAL A 751 -14.646 2.765 7.091 1.00 4.17 H new ATOM 1209 N SER A 752 -12.258 -1.755 6.363 1.00 2.23 N ATOM 1210 CA SER A 752 -12.138 -3.203 6.436 1.00 2.12 C ATOM 1211 C SER A 752 -10.682 -3.571 6.728 1.00 2.30 C ATOM 1212 O SER A 752 -9.773 -3.132 6.028 1.00 2.26 O ATOM 1213 CB SER A 752 -12.614 -3.849 5.129 1.00 2.47 C ATOM 1214 OG SER A 752 -13.974 -3.528 4.861 1.00 2.95 O ATOM 0 H SER A 752 -11.407 -1.283 6.059 1.00 2.23 H new ATOM 0 HA SER A 752 -12.770 -3.580 7.240 1.00 2.12 H new ATOM 0 HB2 SER A 752 -11.988 -3.509 4.304 1.00 2.47 H new ATOM 0 HB3 SER A 752 -12.499 -4.931 5.192 1.00 2.47 H new ATOM 0 HG SER A 752 -14.333 -2.987 5.595 1.00 2.95 H new ATOM 1220 N PRO A 753 -10.445 -4.361 7.790 1.00 2.99 N ATOM 1221 CA PRO A 753 -9.087 -4.696 8.248 1.00 3.72 C ATOM 1222 C PRO A 753 -8.323 -5.594 7.276 1.00 3.48 C ATOM 1223 O PRO A 753 -7.098 -5.525 7.188 1.00 3.96 O ATOM 1224 CB PRO A 753 -9.326 -5.422 9.575 1.00 4.69 C ATOM 1225 CG PRO A 753 -10.709 -5.963 9.471 1.00 4.49 C ATOM 1226 CD PRO A 753 -11.481 -4.983 8.634 1.00 3.44 C ATOM 0 HA PRO A 753 -8.468 -3.803 8.334 1.00 3.72 H new ATOM 0 HB2 PRO A 753 -8.599 -6.221 9.725 1.00 4.69 H new ATOM 0 HB3 PRO A 753 -9.230 -4.741 10.421 1.00 4.69 H new ATOM 0 HG2 PRO A 753 -10.707 -6.951 9.011 1.00 4.49 H new ATOM 0 HG3 PRO A 753 -11.160 -6.072 10.458 1.00 4.49 H new ATOM 0 HD2 PRO A 753 -12.243 -5.480 8.034 1.00 3.44 H new ATOM 0 HD3 PRO A 753 -11.993 -4.244 9.251 1.00 3.44 H new ATOM 1234 N SER A 754 -9.041 -6.451 6.565 1.00 2.99 N ATOM 1235 CA SER A 754 -8.415 -7.358 5.609 1.00 3.13 C ATOM 1236 C SER A 754 -8.541 -6.832 4.182 1.00 2.22 C ATOM 1237 O SER A 754 -8.154 -7.505 3.228 1.00 2.49 O ATOM 1238 CB SER A 754 -9.044 -8.746 5.710 1.00 3.71 C ATOM 1239 OG SER A 754 -8.934 -9.265 7.023 1.00 4.37 O ATOM 0 H SER A 754 -10.055 -6.539 6.630 1.00 2.99 H new ATOM 0 HA SER A 754 -7.355 -7.424 5.854 1.00 3.13 H new ATOM 0 HB2 SER A 754 -10.094 -8.694 5.424 1.00 3.71 H new ATOM 0 HB3 SER A 754 -8.556 -9.421 5.007 1.00 3.71 H new ATOM 0 HG SER A 754 -9.346 -10.153 7.059 1.00 4.37 H new ATOM 1245 N ASP A 755 -9.098 -5.633 4.058 1.00 1.48 N ATOM 1246 CA ASP A 755 -9.321 -4.981 2.775 1.00 0.96 C ATOM 1247 C ASP A 755 -8.020 -4.822 1.991 1.00 1.01 C ATOM 1248 O ASP A 755 -6.945 -5.113 2.512 1.00 1.88 O ATOM 1249 CB ASP A 755 -9.994 -3.625 2.971 1.00 1.69 C ATOM 1250 CG ASP A 755 -10.570 -3.062 1.693 1.00 2.33 C ATOM 1251 OD1 ASP A 755 -11.627 -3.549 1.252 1.00 2.83 O ATOM 1252 OD2 ASP A 755 -9.971 -2.122 1.139 1.00 2.95 O ATOM 0 H ASP A 755 -9.411 -5.080 4.856 1.00 1.48 H new ATOM 0 HA ASP A 755 -9.984 -5.621 2.192 1.00 0.96 H new ATOM 0 HB2 ASP A 755 -10.790 -3.724 3.709 1.00 1.69 H new ATOM 0 HB3 ASP A 755 -9.268 -2.921 3.377 1.00 1.69 H new ATOM 1257 N THR A 756 -8.147 -4.338 0.759 1.00 0.93 N ATOM 1258 CA THR A 756 -7.104 -4.385 -0.257 1.00 0.99 C ATOM 1259 C THR A 756 -5.686 -4.365 0.289 1.00 0.78 C ATOM 1260 O THR A 756 -5.192 -3.360 0.807 1.00 0.89 O ATOM 1261 CB THR A 756 -7.257 -3.211 -1.229 1.00 1.43 C ATOM 1262 OG1 THR A 756 -7.088 -1.967 -0.539 1.00 1.93 O ATOM 1263 CG2 THR A 756 -8.619 -3.236 -1.881 1.00 2.05 C ATOM 0 H THR A 756 -9.003 -3.890 0.432 1.00 0.93 H new ATOM 0 HA THR A 756 -7.243 -5.344 -0.756 1.00 0.99 H new ATOM 0 HB THR A 756 -6.490 -3.307 -1.997 1.00 1.43 H new ATOM 0 HG1 THR A 756 -6.375 -2.057 0.127 1.00 1.93 H new ATOM 0 HG21 THR A 756 -8.709 -2.395 -2.568 1.00 2.05 H new ATOM 0 HG22 THR A 756 -8.742 -4.169 -2.432 1.00 2.05 H new ATOM 0 HG23 THR A 756 -9.391 -3.163 -1.115 1.00 2.05 H new ATOM 1271 N LEU A 757 -5.048 -5.508 0.153 1.00 0.68 N ATOM 1272 CA LEU A 757 -3.679 -5.673 0.504 1.00 0.58 C ATOM 1273 C LEU A 757 -2.806 -5.338 -0.654 1.00 0.44 C ATOM 1274 O LEU A 757 -3.123 -5.696 -1.786 1.00 0.46 O ATOM 1275 CB LEU A 757 -3.431 -7.117 0.885 1.00 0.70 C ATOM 1276 CG LEU A 757 -2.504 -7.240 2.055 1.00 0.96 C ATOM 1277 CD1 LEU A 757 -2.844 -6.137 3.014 1.00 1.53 C ATOM 1278 CD2 LEU A 757 -2.625 -8.596 2.707 1.00 1.66 C ATOM 0 H LEU A 757 -5.485 -6.354 -0.212 1.00 0.68 H new ATOM 0 HA LEU A 757 -3.450 -5.011 1.339 1.00 0.58 H new ATOM 0 HB2 LEU A 757 -4.380 -7.597 1.123 1.00 0.70 H new ATOM 0 HB3 LEU A 757 -3.010 -7.649 0.032 1.00 0.70 H new ATOM 0 HG LEU A 757 -1.467 -7.149 1.730 1.00 0.96 H new ATOM 0 HD11 LEU A 757 -2.187 -6.194 3.882 1.00 1.53 H new ATOM 0 HD12 LEU A 757 -2.712 -5.173 2.522 1.00 1.53 H new ATOM 0 HD13 LEU A 757 -3.880 -6.241 3.336 1.00 1.53 H new ATOM 0 HD21 LEU A 757 -1.940 -8.655 3.553 1.00 1.66 H new ATOM 0 HD22 LEU A 757 -3.647 -8.742 3.057 1.00 1.66 H new ATOM 0 HD23 LEU A 757 -2.375 -9.371 1.983 1.00 1.66 H new ATOM 1290 N LEU A 758 -1.710 -4.658 -0.388 1.00 0.39 N ATOM 1291 CA LEU A 758 -0.777 -4.434 -1.408 1.00 0.40 C ATOM 1292 C LEU A 758 0.501 -5.171 -1.201 1.00 0.35 C ATOM 1293 O LEU A 758 0.983 -5.392 -0.075 1.00 0.40 O ATOM 1294 CB LEU A 758 -0.580 -2.943 -1.705 1.00 0.54 C ATOM 1295 CG LEU A 758 0.426 -2.125 -0.902 1.00 0.60 C ATOM 1296 CD1 LEU A 758 1.852 -2.564 -1.176 1.00 1.19 C ATOM 1297 CD2 LEU A 758 0.270 -0.661 -1.269 1.00 1.13 C ATOM 0 H LEU A 758 -1.469 -4.266 0.522 1.00 0.39 H new ATOM 0 HA LEU A 758 -1.207 -4.861 -2.314 1.00 0.40 H new ATOM 0 HB2 LEU A 758 -0.301 -2.857 -2.755 1.00 0.54 H new ATOM 0 HB3 LEU A 758 -1.551 -2.461 -1.593 1.00 0.54 H new ATOM 0 HG LEU A 758 0.228 -2.280 0.158 1.00 0.60 H new ATOM 0 HD11 LEU A 758 2.539 -1.958 -0.586 1.00 1.19 H new ATOM 0 HD12 LEU A 758 1.968 -3.613 -0.904 1.00 1.19 H new ATOM 0 HD13 LEU A 758 2.075 -2.437 -2.235 1.00 1.19 H new ATOM 0 HD21 LEU A 758 0.985 -0.065 -0.701 1.00 1.13 H new ATOM 0 HD22 LEU A 758 0.456 -0.531 -2.335 1.00 1.13 H new ATOM 0 HD23 LEU A 758 -0.743 -0.333 -1.035 1.00 1.13 H new ATOM 1309 N CYS A 759 0.978 -5.645 -2.323 1.00 0.35 N ATOM 1310 CA CYS A 759 2.273 -6.259 -2.368 1.00 0.36 C ATOM 1311 C CYS A 759 3.016 -5.774 -3.608 1.00 0.36 C ATOM 1312 O CYS A 759 2.727 -6.236 -4.713 1.00 0.40 O ATOM 1313 CB CYS A 759 2.127 -7.780 -2.380 1.00 0.46 C ATOM 1314 SG CYS A 759 1.029 -8.403 -3.673 1.00 1.55 S ATOM 0 H CYS A 759 0.486 -5.616 -3.216 1.00 0.35 H new ATOM 0 HA CYS A 759 2.846 -5.980 -1.484 1.00 0.36 H new ATOM 0 HB2 CYS A 759 3.112 -8.228 -2.507 1.00 0.46 H new ATOM 0 HB3 CYS A 759 1.751 -8.106 -1.410 1.00 0.46 H new ATOM 0 HG CYS A 759 1.418 -7.951 -4.828 1.00 1.55 H new ATOM 1320 N PHE A 760 3.949 -4.854 -3.474 1.00 0.36 N ATOM 1321 CA PHE A 760 4.708 -4.460 -4.642 1.00 0.41 C ATOM 1322 C PHE A 760 6.190 -4.328 -4.389 1.00 0.36 C ATOM 1323 O PHE A 760 6.633 -4.120 -3.256 1.00 0.50 O ATOM 1324 CB PHE A 760 4.185 -3.180 -5.257 1.00 0.68 C ATOM 1325 CG PHE A 760 4.230 -3.255 -6.756 1.00 1.79 C ATOM 1326 CD1 PHE A 760 3.410 -4.146 -7.431 1.00 2.53 C ATOM 1327 CD2 PHE A 760 5.101 -2.469 -7.487 1.00 2.16 C ATOM 1328 CE1 PHE A 760 3.454 -4.245 -8.808 1.00 3.60 C ATOM 1329 CE2 PHE A 760 5.149 -2.562 -8.866 1.00 3.23 C ATOM 1330 CZ PHE A 760 4.325 -3.451 -9.528 1.00 3.94 C ATOM 0 H PHE A 760 4.194 -4.381 -2.604 1.00 0.36 H new ATOM 0 HA PHE A 760 4.569 -5.280 -5.347 1.00 0.41 H new ATOM 0 HB2 PHE A 760 3.161 -3.004 -4.927 1.00 0.68 H new ATOM 0 HB3 PHE A 760 4.781 -2.335 -4.912 1.00 0.68 H new ATOM 0 HD1 PHE A 760 2.728 -4.771 -6.873 1.00 2.53 H new ATOM 0 HD2 PHE A 760 5.751 -1.775 -6.976 1.00 2.16 H new ATOM 0 HE1 PHE A 760 2.808 -4.942 -9.321 1.00 3.60 H new ATOM 0 HE2 PHE A 760 5.831 -1.939 -9.426 1.00 3.23 H new ATOM 0 HZ PHE A 760 4.362 -3.525 -10.605 1.00 3.94 H new ATOM 1340 N GLU A 761 6.947 -4.551 -5.448 1.00 0.35 N ATOM 1341 CA GLU A 761 8.320 -4.095 -5.523 1.00 0.40 C ATOM 1342 C GLU A 761 8.517 -3.241 -6.785 1.00 0.61 C ATOM 1343 O GLU A 761 8.307 -3.725 -7.901 1.00 0.79 O ATOM 1344 CB GLU A 761 9.327 -5.254 -5.449 1.00 0.52 C ATOM 1345 CG GLU A 761 9.286 -6.218 -6.621 1.00 1.26 C ATOM 1346 CD GLU A 761 10.396 -7.247 -6.552 1.00 1.49 C ATOM 1347 OE1 GLU A 761 11.535 -6.928 -6.952 1.00 1.96 O ATOM 1348 OE2 GLU A 761 10.139 -8.380 -6.093 1.00 1.88 O ATOM 0 H GLU A 761 6.627 -5.052 -6.277 1.00 0.35 H new ATOM 0 HA GLU A 761 8.519 -3.474 -4.650 1.00 0.40 H new ATOM 0 HB2 GLU A 761 10.332 -4.838 -5.376 1.00 0.52 H new ATOM 0 HB3 GLU A 761 9.146 -5.814 -4.531 1.00 0.52 H new ATOM 0 HG2 GLU A 761 8.322 -6.726 -6.638 1.00 1.26 H new ATOM 0 HG3 GLU A 761 9.368 -5.659 -7.553 1.00 1.26 H new ATOM 1355 N LEU A 762 8.866 -1.978 -6.619 1.00 0.89 N ATOM 1356 CA LEU A 762 9.302 -1.151 -7.743 1.00 1.28 C ATOM 1357 C LEU A 762 10.636 -0.531 -7.370 1.00 0.79 C ATOM 1358 O LEU A 762 10.763 -0.018 -6.272 1.00 0.89 O ATOM 1359 CB LEU A 762 8.266 -0.061 -8.026 1.00 2.07 C ATOM 1360 CG LEU A 762 8.139 0.390 -9.491 1.00 3.10 C ATOM 1361 CD1 LEU A 762 9.453 0.919 -10.031 1.00 3.72 C ATOM 1362 CD2 LEU A 762 7.641 -0.752 -10.358 1.00 3.94 C ATOM 0 H LEU A 762 8.858 -1.498 -5.719 1.00 0.89 H new ATOM 0 HA LEU A 762 9.407 -1.754 -8.645 1.00 1.28 H new ATOM 0 HB2 LEU A 762 7.292 -0.419 -7.692 1.00 2.07 H new ATOM 0 HB3 LEU A 762 8.511 0.811 -7.419 1.00 2.07 H new ATOM 0 HG LEU A 762 7.414 1.203 -9.520 1.00 3.10 H new ATOM 0 HD11 LEU A 762 9.322 1.227 -11.068 1.00 3.72 H new ATOM 0 HD12 LEU A 762 9.773 1.774 -9.436 1.00 3.72 H new ATOM 0 HD13 LEU A 762 10.210 0.136 -9.978 1.00 3.72 H new ATOM 0 HD21 LEU A 762 7.557 -0.415 -11.391 1.00 3.94 H new ATOM 0 HD22 LEU A 762 8.344 -1.583 -10.304 1.00 3.94 H new ATOM 0 HD23 LEU A 762 6.664 -1.079 -10.003 1.00 3.94 H new ATOM 1374 N LEU A 763 11.629 -0.559 -8.249 1.00 1.06 N ATOM 1375 CA LEU A 763 12.974 -0.254 -7.818 1.00 0.98 C ATOM 1376 C LEU A 763 13.298 1.219 -7.972 1.00 0.79 C ATOM 1377 O LEU A 763 13.330 1.767 -9.078 1.00 1.44 O ATOM 1378 CB LEU A 763 13.996 -1.087 -8.607 1.00 1.81 C ATOM 1379 CG LEU A 763 14.186 -2.542 -8.151 1.00 2.42 C ATOM 1380 CD1 LEU A 763 14.697 -2.595 -6.721 1.00 2.97 C ATOM 1381 CD2 LEU A 763 12.896 -3.340 -8.286 1.00 3.32 C ATOM 0 H LEU A 763 11.528 -0.784 -9.239 1.00 1.06 H new ATOM 0 HA LEU A 763 13.034 -0.507 -6.760 1.00 0.98 H new ATOM 0 HB2 LEU A 763 13.696 -1.093 -9.655 1.00 1.81 H new ATOM 0 HB3 LEU A 763 14.961 -0.583 -8.555 1.00 1.81 H new ATOM 0 HG LEU A 763 14.931 -2.998 -8.803 1.00 2.42 H new ATOM 0 HD11 LEU A 763 14.824 -3.634 -6.418 1.00 2.97 H new ATOM 0 HD12 LEU A 763 15.655 -2.079 -6.658 1.00 2.97 H new ATOM 0 HD13 LEU A 763 13.979 -2.110 -6.060 1.00 2.97 H new ATOM 0 HD21 LEU A 763 13.066 -4.365 -7.955 1.00 3.32 H new ATOM 0 HD22 LEU A 763 12.120 -2.884 -7.671 1.00 3.32 H new ATOM 0 HD23 LEU A 763 12.578 -3.344 -9.328 1.00 3.32 H new ATOM 1393 N SER A 764 13.539 1.834 -6.835 1.00 0.58 N ATOM 1394 CA SER A 764 14.225 3.091 -6.741 1.00 0.61 C ATOM 1395 C SER A 764 14.679 3.214 -5.285 1.00 0.71 C ATOM 1396 O SER A 764 14.239 2.422 -4.455 1.00 1.17 O ATOM 1397 CB SER A 764 13.298 4.239 -7.140 1.00 1.02 C ATOM 1398 OG SER A 764 14.005 5.462 -7.264 1.00 1.67 O ATOM 0 H SER A 764 13.253 1.459 -5.931 1.00 0.58 H new ATOM 0 HA SER A 764 15.078 3.139 -7.418 1.00 0.61 H new ATOM 0 HB2 SER A 764 12.811 4.002 -8.086 1.00 1.02 H new ATOM 0 HB3 SER A 764 12.510 4.347 -6.394 1.00 1.02 H new ATOM 0 HG SER A 764 13.383 6.175 -7.522 1.00 1.67 H new ATOM 1404 N SER A 765 15.539 4.153 -4.942 1.00 0.99 N ATOM 1405 CA SER A 765 15.968 4.266 -3.550 1.00 1.18 C ATOM 1406 C SER A 765 16.623 5.605 -3.259 1.00 1.13 C ATOM 1407 O SER A 765 17.187 6.231 -4.156 1.00 1.21 O ATOM 1408 CB SER A 765 16.924 3.117 -3.192 1.00 1.51 C ATOM 1409 OG SER A 765 17.930 2.954 -4.179 1.00 2.10 O ATOM 0 H SER A 765 15.948 4.834 -5.582 1.00 0.99 H new ATOM 0 HA SER A 765 15.075 4.199 -2.929 1.00 1.18 H new ATOM 0 HB2 SER A 765 17.389 3.316 -2.226 1.00 1.51 H new ATOM 0 HB3 SER A 765 16.359 2.190 -3.089 1.00 1.51 H new ATOM 0 HG SER A 765 18.523 2.217 -3.923 1.00 2.10 H new ATOM 1415 N GLU A 766 16.507 6.049 -2.003 1.00 1.43 N ATOM 1416 CA GLU A 766 17.234 7.204 -1.517 1.00 1.74 C ATOM 1417 C GLU A 766 16.713 8.481 -2.178 1.00 2.11 C ATOM 1418 O GLU A 766 17.435 9.087 -2.996 1.00 2.79 O ATOM 1419 CB GLU A 766 18.734 7.019 -1.772 1.00 2.48 C ATOM 1420 CG GLU A 766 19.599 7.893 -0.903 1.00 3.22 C ATOM 1421 CD GLU A 766 19.613 7.450 0.545 1.00 4.06 C ATOM 1422 OE1 GLU A 766 19.133 8.208 1.415 1.00 4.70 O ATOM 1423 OE2 GLU A 766 20.098 6.331 0.818 1.00 4.47 O ATOM 1424 OXT GLU A 766 15.557 8.856 -1.895 1.00 2.51 O ATOM 0 H GLU A 766 15.906 5.612 -1.304 1.00 1.43 H new ATOM 0 HA GLU A 766 17.077 7.299 -0.443 1.00 1.74 H new ATOM 0 HB2 GLU A 766 18.998 5.975 -1.602 1.00 2.48 H new ATOM 0 HB3 GLU A 766 18.947 7.236 -2.819 1.00 2.48 H new ATOM 0 HG2 GLU A 766 20.618 7.887 -1.290 1.00 3.22 H new ATOM 0 HG3 GLU A 766 19.242 8.921 -0.960 1.00 3.22 H new TER 1431 GLU A 766