USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 744 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 646 LYS NZ :NH3+ 177:sc= -0.005 (180deg=-0.0303) USER MOD Set 1.2: A 662 SER OG : rot -58:sc= 0.0705 USER MOD Set 2.1: A 634 TYR OH : rot 66:sc= 0.544 USER MOD Set 2.2: A 653 SER OG : rot -36:sc= 0.68 USER MOD Set 3.1: A 605 LYS NZ :NH3+ -123:sc= -0.0104 (180deg=-0.152) USER MOD Set 3.2: A 623 LYS NZ :NH3+ -130:sc= 0 (180deg=0) USER MOD Set 3.3: A 624 GLN :FLIP amide:sc= -0.656 F(o=-1.4,f=-0.67) USER MOD Set 4.1: A 616 SER OG : rot -76:sc= 0.816 USER MOD Set 4.2: A 618 LYS NZ :NH3+ -162:sc= 1.08 (180deg=0.864) USER MOD Set 4.3: A 659 MET CE :methyl -124:sc= -0.0463 (180deg=-3.89!) USER MOD Set 4.4: A 661 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0652) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 609 GLN : amide:sc= 0.0799 X(o=0.08,f=-0.13) USER MOD Single : A 610 MET CE :methyl -167:sc= 0 (180deg=-0.0268) USER MOD Single : A 615 ASN : amide:sc= 0.437 K(o=0.44,f=-0.13) USER MOD Single : A 620 ASN : amide:sc= -0.77 X(o=-0.77,f=-0.62) USER MOD Single : A 629 SER OG : rot 180:sc= 0 USER MOD Single : A 633 HIS : no HE2:sc= 0.743 K(o=0.74,f=-5.8!) USER MOD Single : A 638 TYR OH : rot 24:sc= 0.295 USER MOD Single : A 642 SER OG : rot 118:sc= 0.957 USER MOD Single : A 643 SER OG : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot 95:sc= 0.376 USER MOD Single : A 657 HIS : no HE2:sc= 0.875 K(o=0.87,f=-2.7!) USER MOD Single : A 666 ASN : amide:sc= 0.362 K(o=0.36,f=-3.4!) USER MOD Single : A 669 TYR OH : rot -30:sc= -0.103 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.358 K(o=-0.36,f=-10!) USER MOD Single : A 678 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 679 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 681 LYS NZ :NH3+ -143:sc= 1.1 (180deg=0.0178) USER MOD Single : A 682 SER OG : rot 77:sc= 0.878 USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 686 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 691 THR OG1 : rot 147:sc= 1.26 USER MOD Single : A 692 HIS : no HD1:sc=-0.00809 X(o=-0.0081,f=0) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 -0.037 -2.910 -3.546 1.00 25.00 N ATOM 52 CA VAL A 598 -0.716 -2.285 -4.683 1.00 25.00 C ATOM 53 C VAL A 598 0.189 -2.351 -5.912 1.00 25.00 C ATOM 54 O VAL A 598 1.361 -1.990 -5.868 1.00 25.00 O ATOM 55 CB VAL A 598 -1.187 -0.816 -4.351 1.00 25.00 C ATOM 56 CG1 VAL A 598 -0.393 -0.212 -3.180 1.00 25.00 C ATOM 57 CG2 VAL A 598 -1.101 0.103 -5.581 1.00 25.00 C ATOM 0 HA VAL A 598 -1.628 -2.840 -4.903 1.00 25.00 H new ATOM 0 HB VAL A 598 -2.233 -0.887 -4.052 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -0.748 0.800 -2.983 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -0.534 -0.825 -2.290 1.00 25.00 H new ATOM 0 HG13 VAL A 598 0.666 -0.182 -3.436 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -1.434 1.105 -5.311 1.00 25.00 H new ATOM 0 HG22 VAL A 598 -0.070 0.146 -5.932 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -1.738 -0.289 -6.374 1.00 25.00 H new ATOM 67 N ARG A 599 -0.379 -2.837 -7.009 1.00 25.00 N ATOM 68 CA ARG A 599 0.349 -2.999 -8.269 1.00 25.00 C ATOM 69 C ARG A 599 0.300 -1.741 -9.129 1.00 25.00 C ATOM 70 O ARG A 599 -0.487 -0.822 -8.874 1.00 25.00 O ATOM 71 CB ARG A 599 -0.262 -4.163 -9.067 1.00 25.00 C ATOM 72 CG ARG A 599 -1.722 -3.921 -9.494 1.00 25.00 C ATOM 73 CD ARG A 599 -2.213 -4.979 -10.465 1.00 25.00 C ATOM 74 NE ARG A 599 -2.329 -6.304 -9.832 1.00 25.00 N ATOM 75 CZ ARG A 599 -2.763 -7.403 -10.437 1.00 25.00 C ATOM 76 NH1 ARG A 599 -3.143 -7.407 -11.692 1.00 25.00 N ATOM 77 NH2 ARG A 599 -2.818 -8.520 -9.764 1.00 25.00 N ATOM 0 H ARG A 599 -1.355 -3.130 -7.054 1.00 25.00 H new ATOM 0 HA ARG A 599 1.391 -3.200 -8.019 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.343 -4.339 -9.956 1.00 25.00 H new ATOM 0 HB3 ARG A 599 -0.214 -5.070 -8.464 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.362 -3.914 -8.611 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -1.806 -2.937 -9.956 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -3.183 -4.682 -10.863 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -1.527 -5.041 -11.310 1.00 25.00 H new ATOM 0 HE ARG A 599 -2.055 -6.383 -8.853 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -3.111 -6.546 -12.237 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -3.471 -8.271 -12.123 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -2.530 -8.541 -8.786 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -3.149 -9.372 -10.216 1.00 25.00 H new ATOM 91 N GLU A 600 1.127 -1.727 -10.162 1.00 25.00 N ATOM 92 CA GLU A 600 1.124 -0.652 -11.149 1.00 25.00 C ATOM 93 C GLU A 600 -0.148 -0.793 -12.000 1.00 25.00 C ATOM 94 O GLU A 600 -0.707 -1.893 -12.107 1.00 25.00 O ATOM 95 CB GLU A 600 2.363 -0.757 -12.040 1.00 25.00 C ATOM 96 CG GLU A 600 3.653 -0.439 -11.311 1.00 25.00 C ATOM 97 CD GLU A 600 4.839 -0.313 -12.261 1.00 25.00 C ATOM 98 OE1 GLU A 600 5.367 0.817 -12.415 1.00 25.00 O ATOM 99 OE2 GLU A 600 5.247 -1.339 -12.841 1.00 25.00 O ATOM 0 H GLU A 600 1.818 -2.456 -10.342 1.00 25.00 H new ATOM 0 HA GLU A 600 1.141 0.318 -10.652 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.424 -1.766 -12.449 1.00 25.00 H new ATOM 0 HB3 GLU A 600 2.254 -0.077 -12.885 1.00 25.00 H new ATOM 0 HG2 GLU A 600 3.534 0.492 -10.756 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.857 -1.222 -10.580 1.00 25.00 H new ATOM 106 N PRO A 601 -0.632 0.310 -12.598 1.00 25.00 N ATOM 107 CA PRO A 601 -1.869 0.198 -13.383 1.00 25.00 C ATOM 108 C PRO A 601 -1.759 -0.511 -14.738 1.00 25.00 C ATOM 109 O PRO A 601 -0.692 -0.632 -15.338 1.00 25.00 O ATOM 110 CB PRO A 601 -2.281 1.658 -13.578 1.00 25.00 C ATOM 111 CG PRO A 601 -1.024 2.423 -13.515 1.00 25.00 C ATOM 112 CD PRO A 601 -0.119 1.694 -12.578 1.00 25.00 C ATOM 0 HA PRO A 601 -2.584 -0.432 -12.854 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.782 1.802 -14.535 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -2.977 1.978 -12.802 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.572 2.505 -14.503 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.207 3.438 -13.163 1.00 25.00 H new ATOM 0 HD2 PRO A 601 0.919 1.741 -12.907 1.00 25.00 H new ATOM 0 HD3 PRO A 601 -0.155 2.119 -11.575 1.00 25.00 H new ATOM 120 N SER A 602 -2.911 -0.961 -15.207 1.00 25.00 N ATOM 121 CA SER A 602 -3.065 -1.615 -16.503 1.00 25.00 C ATOM 122 C SER A 602 -2.881 -0.591 -17.611 1.00 25.00 C ATOM 123 O SER A 602 -3.079 0.602 -17.397 1.00 25.00 O ATOM 124 CB SER A 602 -4.462 -2.237 -16.618 1.00 25.00 C ATOM 125 OG SER A 602 -4.649 -2.854 -17.882 1.00 25.00 O ATOM 0 H SER A 602 -3.786 -0.882 -14.689 1.00 25.00 H new ATOM 0 HA SER A 602 -2.315 -2.400 -16.595 1.00 25.00 H new ATOM 0 HB2 SER A 602 -4.600 -2.974 -15.827 1.00 25.00 H new ATOM 0 HB3 SER A 602 -5.219 -1.466 -16.472 1.00 25.00 H new ATOM 0 HG SER A 602 -5.547 -3.243 -17.926 1.00 25.00 H new ATOM 131 N ALA A 603 -2.494 -1.063 -18.791 1.00 25.00 N ATOM 132 CA ALA A 603 -2.323 -0.196 -19.954 1.00 25.00 C ATOM 133 C ALA A 603 -3.621 0.610 -20.169 1.00 25.00 C ATOM 134 O ALA A 603 -4.723 0.109 -19.898 1.00 25.00 O ATOM 135 CB ALA A 603 -2.001 -1.044 -21.197 1.00 25.00 C ATOM 0 H ALA A 603 -2.291 -2.047 -18.969 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.494 0.492 -19.787 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -1.875 -0.391 -22.060 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -1.081 -1.603 -21.028 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.819 -1.740 -21.385 1.00 25.00 H new ATOM 141 N PRO A 604 -3.505 1.862 -20.646 1.00 25.00 N ATOM 142 CA PRO A 604 -4.709 2.681 -20.775 1.00 25.00 C ATOM 143 C PRO A 604 -5.654 2.219 -21.871 1.00 25.00 C ATOM 144 O PRO A 604 -5.256 1.541 -22.819 1.00 25.00 O ATOM 145 CB PRO A 604 -4.134 4.064 -21.094 1.00 25.00 C ATOM 146 CG PRO A 604 -2.918 3.786 -21.790 1.00 25.00 C ATOM 147 CD PRO A 604 -2.319 2.620 -21.075 1.00 25.00 C ATOM 0 HA PRO A 604 -5.325 2.640 -19.877 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -4.819 4.648 -21.708 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -3.951 4.638 -20.186 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.108 3.551 -22.837 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.248 4.646 -21.773 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -1.676 2.031 -21.729 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -1.710 2.934 -20.227 1.00 25.00 H new ATOM 155 N LYS A 605 -6.917 2.595 -21.728 1.00 25.00 N ATOM 156 CA LYS A 605 -7.942 2.230 -22.703 1.00 25.00 C ATOM 157 C LYS A 605 -7.812 3.171 -23.888 1.00 25.00 C ATOM 158 O LYS A 605 -7.378 4.306 -23.728 1.00 25.00 O ATOM 159 CB LYS A 605 -9.344 2.345 -22.086 1.00 25.00 C ATOM 160 CG LYS A 605 -9.847 1.045 -21.419 1.00 25.00 C ATOM 161 CD LYS A 605 -9.143 0.695 -20.081 1.00 25.00 C ATOM 162 CE LYS A 605 -9.669 1.520 -18.902 1.00 25.00 C ATOM 163 NZ LYS A 605 -11.079 1.122 -18.555 1.00 25.00 N ATOM 0 H LYS A 605 -7.259 3.153 -20.946 1.00 25.00 H new ATOM 0 HA LYS A 605 -7.805 1.196 -23.019 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.338 3.143 -21.344 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.049 2.638 -22.864 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -10.918 1.135 -21.239 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.709 0.218 -22.115 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -9.283 -0.365 -19.868 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -8.071 0.861 -20.185 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -9.023 1.377 -18.036 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -9.637 2.580 -19.152 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -11.698 1.956 -18.606 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -11.412 0.402 -19.228 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -11.102 0.732 -17.591 1.00 25.00 H new ATOM 177 N LEU A 606 -8.189 2.703 -25.066 1.00 25.00 N ATOM 178 CA LEU A 606 -8.133 3.516 -26.272 1.00 25.00 C ATOM 179 C LEU A 606 -9.189 2.974 -27.213 1.00 25.00 C ATOM 180 O LEU A 606 -9.094 1.845 -27.665 1.00 25.00 O ATOM 181 CB LEU A 606 -6.729 3.431 -26.914 1.00 25.00 C ATOM 182 CG LEU A 606 -6.425 4.261 -28.182 1.00 25.00 C ATOM 183 CD1 LEU A 606 -6.909 3.581 -29.469 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.009 5.667 -28.087 1.00 25.00 C ATOM 0 H LEU A 606 -8.540 1.757 -25.214 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.319 4.566 -26.047 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.003 3.718 -26.153 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.542 2.385 -27.155 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.339 4.332 -28.235 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -6.668 4.210 -30.326 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.416 2.615 -29.578 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -7.988 3.434 -29.419 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -6.775 6.220 -28.996 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.091 5.604 -27.969 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.579 6.182 -27.228 1.00 25.00 H new ATOM 196 N GLU A 607 -10.188 3.793 -27.515 1.00 25.00 N ATOM 197 CA GLU A 607 -11.273 3.375 -28.405 1.00 25.00 C ATOM 198 C GLU A 607 -11.261 4.180 -29.710 1.00 25.00 C ATOM 199 O GLU A 607 -12.144 4.031 -30.540 1.00 25.00 O ATOM 200 CB GLU A 607 -12.629 3.511 -27.703 1.00 25.00 C ATOM 201 CG GLU A 607 -12.634 3.080 -26.222 1.00 25.00 C ATOM 202 CD GLU A 607 -12.037 1.699 -25.965 1.00 25.00 C ATOM 203 OE1 GLU A 607 -11.121 1.608 -25.106 1.00 25.00 O ATOM 204 OE2 GLU A 607 -12.476 0.718 -26.595 1.00 25.00 O ATOM 0 H GLU A 607 -10.273 4.746 -27.161 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.115 2.326 -28.655 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -12.953 4.550 -27.766 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.364 2.915 -28.243 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -12.079 3.816 -25.640 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -13.661 3.092 -25.856 1.00 25.00 H new ATOM 211 N GLY A 608 -10.248 5.034 -29.866 1.00 25.00 N ATOM 212 CA GLY A 608 -10.049 5.794 -31.103 1.00 25.00 C ATOM 213 C GLY A 608 -11.275 6.503 -31.649 1.00 25.00 C ATOM 214 O GLY A 608 -11.639 6.307 -32.803 1.00 25.00 O ATOM 0 H GLY A 608 -9.548 5.218 -29.147 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.271 6.537 -30.929 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.675 5.114 -31.868 1.00 25.00 H new ATOM 218 N GLN A 609 -11.927 7.321 -30.836 1.00 25.00 N ATOM 219 CA GLN A 609 -13.164 7.961 -31.256 1.00 25.00 C ATOM 220 C GLN A 609 -12.800 9.157 -32.112 1.00 25.00 C ATOM 221 O GLN A 609 -12.221 10.129 -31.632 1.00 25.00 O ATOM 222 CB GLN A 609 -13.993 8.354 -30.037 1.00 25.00 C ATOM 223 CG GLN A 609 -14.476 7.140 -29.239 1.00 25.00 C ATOM 224 CD GLN A 609 -15.446 6.289 -30.024 1.00 25.00 C ATOM 225 OE1 GLN A 609 -16.546 6.713 -30.332 1.00 25.00 O ATOM 226 NE2 GLN A 609 -15.038 5.098 -30.359 1.00 25.00 N ATOM 0 H GLN A 609 -11.624 7.556 -29.891 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.779 7.279 -31.843 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.398 8.997 -29.389 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -14.855 8.938 -30.361 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -13.618 6.534 -28.948 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -14.954 7.479 -28.320 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -14.109 4.780 -30.082 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -15.647 4.483 -30.899 1.00 25.00 H new ATOM 235 N MET A 610 -13.122 9.045 -33.392 1.00 25.00 N ATOM 236 CA MET A 610 -12.739 10.022 -34.406 1.00 25.00 C ATOM 237 C MET A 610 -13.174 11.450 -34.083 1.00 25.00 C ATOM 238 O MET A 610 -14.232 11.685 -33.494 1.00 25.00 O ATOM 239 CB MET A 610 -13.325 9.600 -35.751 1.00 25.00 C ATOM 240 CG MET A 610 -13.029 8.149 -36.123 1.00 25.00 C ATOM 241 SD MET A 610 -13.358 7.801 -37.871 1.00 25.00 S ATOM 242 CE MET A 610 -15.137 8.103 -37.992 1.00 25.00 C ATOM 0 H MET A 610 -13.663 8.264 -33.763 1.00 25.00 H new ATOM 0 HA MET A 610 -11.649 10.035 -34.436 1.00 25.00 H new ATOM 0 HB2 MET A 610 -14.405 9.747 -35.729 1.00 25.00 H new ATOM 0 HB3 MET A 610 -12.931 10.253 -36.530 1.00 25.00 H new ATOM 0 HG2 MET A 610 -11.985 7.926 -35.901 1.00 25.00 H new ATOM 0 HG3 MET A 610 -13.635 7.487 -35.504 1.00 25.00 H new ATOM 0 HE1 MET A 610 -15.509 7.709 -38.938 1.00 25.00 H new ATOM 0 HE2 MET A 610 -15.647 7.607 -37.166 1.00 25.00 H new ATOM 0 HE3 MET A 610 -15.328 9.175 -37.945 1.00 25.00 H new ATOM 252 N GLY A 611 -12.332 12.399 -34.470 1.00 25.00 N ATOM 253 CA GLY A 611 -12.581 13.802 -34.202 1.00 25.00 C ATOM 254 C GLY A 611 -12.951 14.610 -35.427 1.00 25.00 C ATOM 255 O GLY A 611 -12.187 15.469 -35.874 1.00 25.00 O ATOM 0 H GLY A 611 -11.465 12.216 -34.975 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.384 13.884 -33.470 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -11.691 14.238 -33.748 1.00 25.00 H new ATOM 259 N GLU A 612 -14.141 14.354 -35.956 1.00 25.00 N ATOM 260 CA GLU A 612 -14.699 15.119 -37.086 1.00 25.00 C ATOM 261 C GLU A 612 -14.946 16.574 -36.670 1.00 25.00 C ATOM 262 O GLU A 612 -15.242 17.432 -37.491 1.00 25.00 O ATOM 263 CB GLU A 612 -15.983 14.468 -37.604 1.00 25.00 C ATOM 264 CG GLU A 612 -15.699 13.441 -38.696 1.00 25.00 C ATOM 265 CD GLU A 612 -14.777 12.338 -38.210 1.00 25.00 C ATOM 266 OE1 GLU A 612 -15.160 11.640 -37.251 1.00 25.00 O ATOM 267 OE2 GLU A 612 -13.666 12.175 -38.772 1.00 25.00 O ATOM 0 H GLU A 612 -14.754 13.611 -35.620 1.00 25.00 H new ATOM 0 HA GLU A 612 -13.975 15.114 -37.900 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -16.504 13.985 -36.778 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -16.649 15.238 -37.994 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -16.638 13.005 -39.037 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -15.248 13.939 -39.554 1.00 25.00 H new ATOM 274 N ASP A 613 -14.777 16.820 -35.378 1.00 25.00 N ATOM 275 CA ASP A 613 -14.843 18.150 -34.777 1.00 25.00 C ATOM 276 C ASP A 613 -13.773 19.045 -35.409 1.00 25.00 C ATOM 277 O ASP A 613 -13.862 20.271 -35.374 1.00 25.00 O ATOM 278 CB ASP A 613 -14.488 18.042 -33.287 1.00 25.00 C ATOM 279 CG ASP A 613 -15.291 16.980 -32.551 1.00 25.00 C ATOM 280 OD1 ASP A 613 -15.015 15.775 -32.768 1.00 25.00 O ATOM 281 OD2 ASP A 613 -16.161 17.323 -31.728 1.00 25.00 O ATOM 0 H ASP A 613 -14.585 16.083 -34.699 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.843 18.556 -34.927 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -13.426 17.817 -33.189 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -14.654 19.008 -32.810 1.00 25.00 H new ATOM 286 N GLY A 614 -12.760 18.407 -35.986 1.00 25.00 N ATOM 287 CA GLY A 614 -11.700 19.111 -36.680 1.00 25.00 C ATOM 288 C GLY A 614 -10.487 19.378 -35.818 1.00 25.00 C ATOM 289 O GLY A 614 -10.601 19.864 -34.687 1.00 25.00 O ATOM 0 H GLY A 614 -12.655 17.392 -35.983 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.396 18.528 -37.550 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -12.088 20.060 -37.052 1.00 25.00 H new ATOM 293 N ASN A 615 -9.316 19.065 -36.367 1.00 25.00 N ATOM 294 CA ASN A 615 -8.023 19.339 -35.729 1.00 25.00 C ATOM 295 C ASN A 615 -7.940 18.761 -34.302 1.00 25.00 C ATOM 296 O ASN A 615 -7.236 19.301 -33.432 1.00 25.00 O ATOM 297 CB ASN A 615 -7.812 20.870 -35.734 1.00 25.00 C ATOM 298 CG ASN A 615 -6.376 21.269 -35.935 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.007 21.772 -36.977 1.00 25.00 O ATOM 300 ND2 ASN A 615 -5.571 21.060 -34.946 1.00 25.00 N ATOM 0 H ASN A 615 -9.233 18.610 -37.276 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.229 18.846 -36.290 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.419 21.311 -36.524 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.168 21.283 -34.790 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -4.588 21.320 -35.025 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -5.919 20.635 -34.086 1.00 25.00 H new ATOM 307 N SER A 616 -8.681 17.682 -34.058 1.00 25.00 N ATOM 308 CA SER A 616 -8.780 17.084 -32.733 1.00 25.00 C ATOM 309 C SER A 616 -9.203 15.618 -32.787 1.00 25.00 C ATOM 310 O SER A 616 -9.584 15.136 -33.843 1.00 25.00 O ATOM 311 CB SER A 616 -9.828 17.868 -31.961 1.00 25.00 C ATOM 312 OG SER A 616 -11.044 17.933 -32.671 1.00 25.00 O ATOM 0 H SER A 616 -9.227 17.201 -34.772 1.00 25.00 H new ATOM 0 HA SER A 616 -7.800 17.121 -32.257 1.00 25.00 H new ATOM 0 HB2 SER A 616 -9.995 17.399 -30.991 1.00 25.00 H new ATOM 0 HB3 SER A 616 -9.462 18.877 -31.769 1.00 25.00 H new ATOM 0 HG SER A 616 -10.966 18.591 -33.393 1.00 25.00 H new ATOM 318 N ILE A 617 -9.144 14.925 -31.648 1.00 25.00 N ATOM 319 CA ILE A 617 -9.623 13.532 -31.533 1.00 25.00 C ATOM 320 C ILE A 617 -9.904 13.200 -30.064 1.00 25.00 C ATOM 321 O ILE A 617 -9.319 13.824 -29.175 1.00 25.00 O ATOM 322 CB ILE A 617 -8.591 12.528 -32.119 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.219 11.126 -32.226 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.285 12.498 -31.277 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.751 10.299 -33.376 1.00 25.00 C ATOM 0 H ILE A 617 -8.766 15.304 -30.780 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.543 13.440 -32.110 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.318 12.863 -33.120 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -9.013 10.583 -31.303 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.301 11.236 -32.297 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.586 11.786 -31.715 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -6.834 13.490 -31.269 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.517 12.197 -30.256 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.255 9.333 -33.358 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -8.982 10.811 -34.310 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.674 10.148 -33.301 1.00 25.00 H new ATOM 337 N LYS A 618 -10.791 12.240 -29.801 1.00 25.00 N ATOM 338 CA LYS A 618 -11.156 11.865 -28.432 1.00 25.00 C ATOM 339 C LYS A 618 -10.570 10.483 -28.126 1.00 25.00 C ATOM 340 O LYS A 618 -10.835 9.517 -28.839 1.00 25.00 O ATOM 341 CB LYS A 618 -12.691 11.816 -28.260 1.00 25.00 C ATOM 342 CG LYS A 618 -13.478 13.031 -28.815 1.00 25.00 C ATOM 343 CD LYS A 618 -13.933 12.813 -30.282 1.00 25.00 C ATOM 344 CE LYS A 618 -15.447 12.968 -30.477 1.00 25.00 C ATOM 345 NZ LYS A 618 -15.912 14.400 -30.478 1.00 25.00 N ATOM 0 H LYS A 618 -11.274 11.704 -30.522 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.757 12.612 -27.746 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -13.062 10.915 -28.748 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -12.914 11.719 -27.198 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -14.351 13.213 -28.189 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -12.854 13.923 -28.759 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.416 13.525 -30.925 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -13.632 11.816 -30.604 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -15.733 12.501 -31.420 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -15.964 12.428 -29.684 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -16.937 14.432 -30.307 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.419 14.925 -29.728 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -15.701 14.833 -31.400 1.00 25.00 H new ATOM 359 N VAL A 619 -9.787 10.381 -27.066 1.00 25.00 N ATOM 360 CA VAL A 619 -9.200 9.100 -26.660 1.00 25.00 C ATOM 361 C VAL A 619 -9.776 8.837 -25.266 1.00 25.00 C ATOM 362 O VAL A 619 -9.873 9.753 -24.447 1.00 25.00 O ATOM 363 CB VAL A 619 -7.606 9.109 -26.737 1.00 25.00 C ATOM 364 CG1 VAL A 619 -7.071 10.505 -27.135 1.00 25.00 C ATOM 365 CG2 VAL A 619 -6.952 8.657 -25.421 1.00 25.00 C ATOM 0 H VAL A 619 -9.538 11.167 -26.465 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.457 8.284 -27.335 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.334 8.389 -27.509 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -5.982 10.478 -27.179 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.467 10.781 -28.112 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.386 11.240 -26.395 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.867 8.681 -25.527 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -7.253 9.327 -24.616 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -7.271 7.642 -25.186 1.00 25.00 H new ATOM 375 N ASN A 620 -10.195 7.604 -25.013 1.00 25.00 N ATOM 376 CA ASN A 620 -10.832 7.260 -23.738 1.00 25.00 C ATOM 377 C ASN A 620 -9.796 7.271 -22.638 1.00 25.00 C ATOM 378 O ASN A 620 -8.634 6.956 -22.870 1.00 25.00 O ATOM 379 CB ASN A 620 -11.478 5.874 -23.791 1.00 25.00 C ATOM 380 CG ASN A 620 -12.899 5.910 -24.299 1.00 25.00 C ATOM 381 OD1 ASN A 620 -13.791 5.379 -23.674 1.00 25.00 O ATOM 382 ND2 ASN A 620 -13.113 6.524 -25.436 1.00 25.00 N ATOM 0 H ASN A 620 -10.108 6.826 -25.667 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.609 7.999 -23.542 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.883 5.225 -24.434 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -11.464 5.433 -22.794 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -14.056 6.566 -25.823 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.337 6.960 -25.934 1.00 25.00 H new ATOM 389 N LEU A 621 -10.217 7.654 -21.446 1.00 25.00 N ATOM 390 CA LEU A 621 -9.324 7.720 -20.307 1.00 25.00 C ATOM 391 C LEU A 621 -9.846 6.913 -19.130 1.00 25.00 C ATOM 392 O LEU A 621 -11.037 6.682 -18.962 1.00 25.00 O ATOM 393 CB LEU A 621 -9.018 9.168 -19.927 1.00 25.00 C ATOM 394 CG LEU A 621 -7.598 9.386 -19.374 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.508 9.191 -20.441 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.503 10.786 -18.813 1.00 25.00 C ATOM 0 H LEU A 621 -11.179 7.925 -21.243 1.00 25.00 H new ATOM 0 HA LEU A 621 -8.381 7.259 -20.601 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.155 9.799 -20.805 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.741 9.497 -19.181 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.427 8.639 -18.599 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.528 9.357 -19.994 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.560 8.175 -20.833 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.662 9.902 -21.253 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.501 10.952 -18.418 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -7.706 11.509 -19.603 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.233 10.908 -18.013 1.00 25.00 H new ATOM 408 N ILE A 622 -8.910 6.462 -18.328 1.00 25.00 N ATOM 409 CA ILE A 622 -9.179 5.689 -17.136 1.00 25.00 C ATOM 410 C ILE A 622 -9.954 6.541 -16.102 1.00 25.00 C ATOM 411 O ILE A 622 -9.469 7.572 -15.642 1.00 25.00 O ATOM 412 CB ILE A 622 -7.807 5.242 -16.577 1.00 25.00 C ATOM 413 CG1 ILE A 622 -7.088 4.360 -17.606 1.00 25.00 C ATOM 414 CG2 ILE A 622 -7.907 4.560 -15.246 1.00 25.00 C ATOM 415 CD1 ILE A 622 -6.062 5.114 -18.457 1.00 25.00 C ATOM 0 H ILE A 622 -7.916 6.626 -18.489 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.801 4.822 -17.359 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.218 6.142 -16.402 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -6.585 3.546 -17.084 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.830 3.907 -18.264 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -6.911 4.271 -14.909 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.352 5.241 -14.521 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.530 3.671 -15.339 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -5.596 4.424 -19.161 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -6.561 5.911 -19.007 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.298 5.544 -17.810 1.00 25.00 H new ATOM 427 N LYS A 623 -11.157 6.093 -15.744 1.00 25.00 N ATOM 428 CA LYS A 623 -11.982 6.770 -14.721 1.00 25.00 C ATOM 429 C LYS A 623 -12.349 5.852 -13.553 1.00 25.00 C ATOM 430 O LYS A 623 -13.229 6.143 -12.752 1.00 25.00 O ATOM 431 CB LYS A 623 -13.231 7.439 -15.333 1.00 25.00 C ATOM 432 CG LYS A 623 -13.881 6.727 -16.517 1.00 25.00 C ATOM 433 CD LYS A 623 -14.507 5.405 -16.172 1.00 25.00 C ATOM 434 CE LYS A 623 -15.115 4.813 -17.428 1.00 25.00 C ATOM 435 NZ LYS A 623 -15.673 3.455 -17.171 1.00 25.00 N ATOM 0 H LYS A 623 -11.591 5.261 -16.144 1.00 25.00 H new ATOM 0 HA LYS A 623 -11.358 7.563 -14.308 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -13.979 7.545 -14.548 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -12.957 8.445 -15.650 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -14.644 7.378 -16.943 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -13.129 6.570 -17.290 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -13.758 4.729 -15.759 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -15.273 5.537 -15.408 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -15.904 5.469 -17.797 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -14.357 4.755 -18.209 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -15.319 2.793 -17.891 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -15.378 3.131 -16.228 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -16.711 3.492 -17.215 1.00 25.00 H new ATOM 449 N GLN A 624 -11.662 4.728 -13.477 1.00 25.00 N ATOM 450 CA GLN A 624 -11.855 3.739 -12.419 1.00 25.00 C ATOM 451 C GLN A 624 -10.428 3.310 -12.130 1.00 25.00 C ATOM 452 O GLN A 624 -9.570 3.577 -12.948 1.00 25.00 O ATOM 453 CB GLN A 624 -12.741 2.563 -12.890 1.00 25.00 C ATOM 454 CG GLN A 624 -12.102 1.590 -13.913 1.00 25.00 C ATOM 455 CD GLN A 624 -11.859 2.204 -15.282 1.00 25.00 C ATOM 456 OE1 GLN A 624 -10.634 2.547 -15.550 1.00 25.00 O flip ATOM 457 NE2 GLN A 624 -12.770 2.358 -16.096 1.00 25.00 N flip ATOM 0 H GLN A 624 -10.944 4.468 -14.153 1.00 25.00 H new ATOM 0 HA GLN A 624 -12.377 4.122 -11.542 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -13.042 1.989 -12.014 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.650 2.974 -13.330 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -11.153 1.231 -13.514 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.750 0.721 -14.026 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -13.721 2.079 -15.856 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -12.573 2.765 -17.010 1.00 25.00 H new ATOM 466 N ASP A 625 -10.136 2.675 -11.012 1.00 25.00 N ATOM 467 CA ASP A 625 -8.752 2.282 -10.758 1.00 25.00 C ATOM 468 C ASP A 625 -8.432 1.013 -11.563 1.00 25.00 C ATOM 469 O ASP A 625 -9.326 0.234 -11.878 1.00 25.00 O ATOM 470 CB ASP A 625 -8.502 2.105 -9.260 1.00 25.00 C ATOM 471 CG ASP A 625 -8.581 0.675 -8.819 1.00 25.00 C ATOM 472 OD1 ASP A 625 -9.687 0.193 -8.520 1.00 25.00 O ATOM 473 OD2 ASP A 625 -7.508 0.035 -8.764 1.00 25.00 O ATOM 0 H ASP A 625 -10.806 2.424 -10.285 1.00 25.00 H new ATOM 0 HA ASP A 625 -8.077 3.071 -11.089 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -7.518 2.502 -9.012 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -9.232 2.692 -8.703 1.00 25.00 H new ATOM 478 N ASP A 626 -7.164 0.827 -11.910 1.00 25.00 N ATOM 479 CA ASP A 626 -6.746 -0.301 -12.757 1.00 25.00 C ATOM 480 C ASP A 626 -5.898 -1.333 -12.009 1.00 25.00 C ATOM 481 O ASP A 626 -5.209 -2.152 -12.629 1.00 25.00 O ATOM 482 CB ASP A 626 -5.885 0.199 -13.913 1.00 25.00 C ATOM 483 CG ASP A 626 -6.612 1.133 -14.848 1.00 25.00 C ATOM 484 OD1 ASP A 626 -5.966 2.123 -15.224 1.00 25.00 O ATOM 485 OD2 ASP A 626 -7.788 0.901 -15.228 1.00 25.00 O ATOM 0 H ASP A 626 -6.401 1.439 -11.621 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.671 -0.767 -13.097 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -5.011 0.710 -13.509 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -5.520 -0.657 -14.480 1.00 25.00 H new ATOM 490 N GLY A 627 -5.907 -1.299 -10.689 1.00 25.00 N ATOM 491 CA GLY A 627 -5.080 -2.226 -9.936 1.00 25.00 C ATOM 492 C GLY A 627 -5.265 -2.202 -8.432 1.00 25.00 C ATOM 493 O GLY A 627 -6.223 -2.741 -7.906 1.00 25.00 O ATOM 0 H GLY A 627 -6.464 -0.656 -10.126 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -5.283 -3.236 -10.292 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -4.034 -2.014 -10.158 1.00 25.00 H new ATOM 497 N GLY A 628 -4.305 -1.601 -7.739 1.00 25.00 N ATOM 498 CA GLY A 628 -4.357 -1.534 -6.283 1.00 25.00 C ATOM 499 C GLY A 628 -4.714 -0.179 -5.693 1.00 25.00 C ATOM 500 O GLY A 628 -4.927 -0.073 -4.490 1.00 25.00 O ATOM 0 H GLY A 628 -3.488 -1.156 -8.157 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -5.085 -2.265 -5.931 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -3.386 -1.835 -5.890 1.00 25.00 H new ATOM 504 N SER A 629 -4.754 0.861 -6.515 1.00 25.00 N ATOM 505 CA SER A 629 -5.040 2.214 -6.031 1.00 25.00 C ATOM 506 C SER A 629 -5.443 3.099 -7.201 1.00 25.00 C ATOM 507 O SER A 629 -5.068 2.808 -8.347 1.00 25.00 O ATOM 508 CB SER A 629 -3.792 2.826 -5.374 1.00 25.00 C ATOM 509 OG SER A 629 -2.783 3.095 -6.339 1.00 25.00 O ATOM 0 H SER A 629 -4.593 0.799 -7.520 1.00 25.00 H new ATOM 0 HA SER A 629 -5.847 2.153 -5.300 1.00 25.00 H new ATOM 0 HB2 SER A 629 -4.063 3.749 -4.861 1.00 25.00 H new ATOM 0 HB3 SER A 629 -3.404 2.143 -4.618 1.00 25.00 H new ATOM 0 HG SER A 629 -2.001 3.485 -5.895 1.00 25.00 H new ATOM 515 N PRO A 630 -6.177 4.198 -6.939 1.00 25.00 N ATOM 516 CA PRO A 630 -6.507 5.082 -8.061 1.00 25.00 C ATOM 517 C PRO A 630 -5.277 5.759 -8.648 1.00 25.00 C ATOM 518 O PRO A 630 -4.210 5.836 -8.019 1.00 25.00 O ATOM 519 CB PRO A 630 -7.460 6.101 -7.430 1.00 25.00 C ATOM 520 CG PRO A 630 -7.045 6.155 -6.015 1.00 25.00 C ATOM 521 CD PRO A 630 -6.734 4.723 -5.675 1.00 25.00 C ATOM 0 HA PRO A 630 -6.944 4.543 -8.902 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -7.374 7.077 -7.908 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.500 5.789 -7.529 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.174 6.796 -5.878 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -7.837 6.553 -5.381 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -6.018 4.648 -4.856 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -7.627 4.177 -5.369 1.00 25.00 H new ATOM 529 N ILE A 631 -5.433 6.238 -9.869 1.00 25.00 N ATOM 530 CA ILE A 631 -4.358 6.887 -10.599 1.00 25.00 C ATOM 531 C ILE A 631 -4.141 8.292 -10.012 1.00 25.00 C ATOM 532 O ILE A 631 -5.079 8.932 -9.548 1.00 25.00 O ATOM 533 CB ILE A 631 -4.717 6.930 -12.123 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.411 5.576 -12.805 1.00 25.00 C ATOM 535 CG2 ILE A 631 -3.925 8.004 -12.854 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.294 4.385 -12.401 1.00 25.00 C ATOM 0 H ILE A 631 -6.312 6.188 -10.384 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.426 6.331 -10.499 1.00 25.00 H new ATOM 0 HB ILE A 631 -5.783 7.152 -12.181 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -4.495 5.711 -13.883 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.373 5.317 -12.596 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -4.200 8.005 -13.909 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -4.148 8.979 -12.420 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -2.859 7.799 -12.757 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.979 3.496 -12.948 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -5.196 4.206 -11.330 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.335 4.607 -12.638 1.00 25.00 H new ATOM 548 N ARG A 632 -2.900 8.767 -10.027 1.00 25.00 N ATOM 549 CA ARG A 632 -2.581 10.108 -9.551 1.00 25.00 C ATOM 550 C ARG A 632 -2.648 11.093 -10.722 1.00 25.00 C ATOM 551 O ARG A 632 -3.301 12.127 -10.616 1.00 25.00 O ATOM 552 CB ARG A 632 -1.181 10.146 -8.929 1.00 25.00 C ATOM 553 CG ARG A 632 -1.147 9.870 -7.414 1.00 25.00 C ATOM 554 CD ARG A 632 0.216 10.232 -6.822 1.00 25.00 C ATOM 555 NE ARG A 632 0.544 11.657 -7.015 1.00 25.00 N ATOM 556 CZ ARG A 632 1.560 12.298 -6.451 1.00 25.00 C ATOM 557 NH1 ARG A 632 2.388 11.709 -5.622 1.00 25.00 N ATOM 558 NH2 ARG A 632 1.745 13.556 -6.733 1.00 25.00 N ATOM 0 H ARG A 632 -2.095 8.240 -10.366 1.00 25.00 H new ATOM 0 HA ARG A 632 -3.307 10.388 -8.788 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -0.553 9.411 -9.433 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -0.740 11.125 -9.117 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -1.928 10.447 -6.918 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -1.361 8.818 -7.227 1.00 25.00 H new ATOM 0 HD2 ARG A 632 0.221 10.000 -5.757 1.00 25.00 H new ATOM 0 HD3 ARG A 632 0.987 9.617 -7.286 1.00 25.00 H new ATOM 0 HE ARG A 632 -0.061 12.196 -7.635 1.00 25.00 H new ATOM 0 HH11 ARG A 632 2.263 10.724 -5.390 1.00 25.00 H new ATOM 0 HH12 ARG A 632 3.157 12.236 -5.209 1.00 25.00 H new ATOM 0 HH21 ARG A 632 1.114 14.032 -7.378 1.00 25.00 H new ATOM 0 HH22 ARG A 632 2.521 14.065 -6.309 1.00 25.00 H new ATOM 572 N HIS A 633 -1.981 10.775 -11.827 1.00 25.00 N ATOM 573 CA HIS A 633 -1.972 11.645 -13.014 1.00 25.00 C ATOM 574 C HIS A 633 -1.965 10.825 -14.307 1.00 25.00 C ATOM 575 O HIS A 633 -1.667 9.634 -14.294 1.00 25.00 O ATOM 576 CB HIS A 633 -0.715 12.541 -13.060 1.00 25.00 C ATOM 577 CG HIS A 633 -0.090 12.816 -11.725 1.00 25.00 C ATOM 578 ND1 HIS A 633 1.149 12.362 -11.352 1.00 25.00 N ATOM 579 CD2 HIS A 633 -0.538 13.535 -10.656 1.00 25.00 C ATOM 580 CE1 HIS A 633 1.403 12.793 -10.126 1.00 25.00 C ATOM 581 NE2 HIS A 633 0.406 13.510 -9.642 1.00 25.00 N ATOM 0 H HIS A 633 -1.436 9.919 -11.932 1.00 25.00 H new ATOM 0 HA HIS A 633 -2.874 12.252 -12.939 1.00 25.00 H new ATOM 0 HB2 HIS A 633 0.028 12.068 -13.703 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -0.980 13.491 -13.524 1.00 25.00 H new ATOM 0 HD1 HIS A 633 1.770 11.789 -11.923 1.00 25.00 H new ATOM 0 HD2 HIS A 633 -1.487 14.048 -10.607 1.00 25.00 H new ATOM 0 HE1 HIS A 633 2.315 12.583 -9.587 1.00 25.00 H new ATOM 589 N TYR A 634 -2.254 11.478 -15.423 1.00 25.00 N ATOM 590 CA TYR A 634 -2.135 10.858 -16.743 1.00 25.00 C ATOM 591 C TYR A 634 -1.107 11.640 -17.502 1.00 25.00 C ATOM 592 O TYR A 634 -0.980 12.847 -17.309 1.00 25.00 O ATOM 593 CB TYR A 634 -3.459 10.865 -17.497 1.00 25.00 C ATOM 594 CG TYR A 634 -4.445 9.986 -16.810 1.00 25.00 C ATOM 595 CD1 TYR A 634 -5.524 10.533 -16.107 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.295 8.590 -16.833 1.00 25.00 C ATOM 597 CE1 TYR A 634 -6.405 9.713 -15.402 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.179 7.771 -16.121 1.00 25.00 C ATOM 599 CZ TYR A 634 -6.214 8.349 -15.388 1.00 25.00 C ATOM 600 OH TYR A 634 -7.041 7.573 -14.638 1.00 25.00 O ATOM 0 H TYR A 634 -2.576 12.446 -15.444 1.00 25.00 H new ATOM 0 HA TYR A 634 -1.845 9.813 -16.634 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -3.847 11.882 -17.557 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.305 10.522 -18.520 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -5.676 11.602 -16.110 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -3.493 8.146 -17.403 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -7.237 10.147 -14.867 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.060 6.698 -16.139 1.00 25.00 H new ATOM 0 HH TYR A 634 -7.948 7.610 -15.007 1.00 25.00 H new ATOM 610 N LEU A 635 -0.365 10.952 -18.351 1.00 25.00 N ATOM 611 CA LEU A 635 0.695 11.578 -19.120 1.00 25.00 C ATOM 612 C LEU A 635 0.487 11.188 -20.583 1.00 25.00 C ATOM 613 O LEU A 635 0.775 10.059 -20.983 1.00 25.00 O ATOM 614 CB LEU A 635 2.061 11.100 -18.595 1.00 25.00 C ATOM 615 CG LEU A 635 2.295 11.224 -17.070 1.00 25.00 C ATOM 616 CD1 LEU A 635 3.492 10.375 -16.640 1.00 25.00 C ATOM 617 CD2 LEU A 635 2.509 12.672 -16.638 1.00 25.00 C ATOM 0 H LEU A 635 -0.478 9.954 -18.526 1.00 25.00 H new ATOM 0 HA LEU A 635 0.672 12.664 -19.026 1.00 25.00 H new ATOM 0 HB2 LEU A 635 2.188 10.055 -18.876 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.840 11.665 -19.107 1.00 25.00 H new ATOM 0 HG LEU A 635 1.394 10.858 -16.578 1.00 25.00 H new ATOM 0 HD11 LEU A 635 3.641 10.475 -15.565 1.00 25.00 H new ATOM 0 HD12 LEU A 635 3.303 9.330 -16.885 1.00 25.00 H new ATOM 0 HD13 LEU A 635 4.386 10.715 -17.163 1.00 25.00 H new ATOM 0 HD21 LEU A 635 2.669 12.710 -15.561 1.00 25.00 H new ATOM 0 HD22 LEU A 635 3.381 13.079 -17.149 1.00 25.00 H new ATOM 0 HD23 LEU A 635 1.629 13.262 -16.895 1.00 25.00 H new ATOM 629 N VAL A 636 -0.028 12.118 -21.371 1.00 25.00 N ATOM 630 CA VAL A 636 -0.264 11.881 -22.801 1.00 25.00 C ATOM 631 C VAL A 636 0.795 12.658 -23.572 1.00 25.00 C ATOM 632 O VAL A 636 1.089 13.803 -23.225 1.00 25.00 O ATOM 633 CB VAL A 636 -1.684 12.357 -23.240 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.009 11.878 -24.660 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.759 11.851 -22.259 1.00 25.00 C ATOM 0 H VAL A 636 -0.294 13.049 -21.051 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.205 10.812 -23.005 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.684 13.447 -23.231 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.004 12.223 -24.942 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.274 12.281 -25.357 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -1.980 10.789 -24.692 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.740 12.195 -22.585 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -2.746 10.761 -22.235 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.552 12.238 -21.261 1.00 25.00 H new ATOM 645 N ARG A 637 1.373 12.047 -24.598 1.00 25.00 N ATOM 646 CA ARG A 637 2.427 12.673 -25.393 1.00 25.00 C ATOM 647 C ARG A 637 2.102 12.377 -26.847 1.00 25.00 C ATOM 648 O ARG A 637 1.851 11.236 -27.185 1.00 25.00 O ATOM 649 CB ARG A 637 3.776 12.082 -24.964 1.00 25.00 C ATOM 650 CG ARG A 637 4.982 12.612 -25.723 1.00 25.00 C ATOM 651 CD ARG A 637 6.284 12.351 -24.987 1.00 25.00 C ATOM 652 NE ARG A 637 6.329 13.086 -23.711 1.00 25.00 N ATOM 653 CZ ARG A 637 7.376 13.164 -22.901 1.00 25.00 C ATOM 654 NH1 ARG A 637 8.521 12.585 -23.172 1.00 25.00 N ATOM 655 NH2 ARG A 637 7.260 13.843 -21.796 1.00 25.00 N ATOM 0 H ARG A 637 1.127 11.106 -24.904 1.00 25.00 H new ATOM 0 HA ARG A 637 2.487 13.752 -25.250 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.920 12.278 -23.901 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.736 11.000 -25.086 1.00 25.00 H new ATOM 0 HG2 ARG A 637 5.023 12.145 -26.707 1.00 25.00 H new ATOM 0 HG3 ARG A 637 4.866 13.684 -25.883 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.391 11.283 -24.799 1.00 25.00 H new ATOM 0 HD3 ARG A 637 7.125 12.650 -25.612 1.00 25.00 H new ATOM 0 HE ARG A 637 5.482 13.577 -23.426 1.00 25.00 H new ATOM 0 HH11 ARG A 637 8.631 12.050 -24.033 1.00 25.00 H new ATOM 0 HH12 ARG A 637 9.302 12.670 -22.521 1.00 25.00 H new ATOM 0 HH21 ARG A 637 6.377 14.301 -21.569 1.00 25.00 H new ATOM 0 HH22 ARG A 637 8.052 13.917 -21.157 1.00 25.00 H new ATOM 669 N TYR A 638 2.072 13.387 -27.700 1.00 25.00 N ATOM 670 CA TYR A 638 1.663 13.181 -29.095 1.00 25.00 C ATOM 671 C TYR A 638 2.403 14.101 -30.042 1.00 25.00 C ATOM 672 O TYR A 638 2.817 15.185 -29.651 1.00 25.00 O ATOM 673 CB TYR A 638 0.144 13.366 -29.247 1.00 25.00 C ATOM 674 CG TYR A 638 -0.405 14.725 -28.849 1.00 25.00 C ATOM 675 CD1 TYR A 638 -0.873 15.628 -29.829 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.481 15.111 -27.493 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.414 16.891 -29.456 1.00 25.00 C ATOM 678 CE2 TYR A 638 -1.004 16.371 -27.126 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.471 17.246 -28.106 1.00 25.00 C ATOM 680 OH TYR A 638 -1.976 18.463 -27.726 1.00 25.00 O ATOM 0 H TYR A 638 2.321 14.348 -27.464 1.00 25.00 H new ATOM 0 HA TYR A 638 1.923 12.156 -29.361 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.122 13.179 -30.287 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.356 12.605 -28.648 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.820 15.357 -30.873 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.135 14.434 -26.726 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.778 17.571 -30.212 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -1.042 16.657 -26.085 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.581 18.798 -28.421 1.00 25.00 H new ATOM 690 N ARG A 639 2.576 13.652 -31.277 1.00 25.00 N ATOM 691 CA ARG A 639 3.344 14.376 -32.297 1.00 25.00 C ATOM 692 C ARG A 639 2.623 14.177 -33.615 1.00 25.00 C ATOM 693 O ARG A 639 1.938 13.179 -33.793 1.00 25.00 O ATOM 694 CB ARG A 639 4.779 13.813 -32.324 1.00 25.00 C ATOM 695 CG ARG A 639 5.617 14.042 -33.573 1.00 25.00 C ATOM 696 CD ARG A 639 5.542 12.850 -34.505 1.00 25.00 C ATOM 697 NE ARG A 639 5.722 13.251 -35.905 1.00 25.00 N ATOM 698 CZ ARG A 639 5.816 12.417 -36.933 1.00 25.00 C ATOM 699 NH1 ARG A 639 5.751 11.116 -36.800 1.00 25.00 N ATOM 700 NH2 ARG A 639 5.979 12.913 -38.126 1.00 25.00 N ATOM 0 H ARG A 639 2.187 12.769 -31.608 1.00 25.00 H new ATOM 0 HA ARG A 639 3.418 15.444 -32.090 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.319 14.238 -31.478 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.718 12.738 -32.156 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.267 14.935 -34.091 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.654 14.223 -33.291 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.308 12.124 -34.232 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.578 12.355 -34.388 1.00 25.00 H new ATOM 0 HE ARG A 639 5.779 14.250 -36.104 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.623 10.704 -35.876 1.00 25.00 H new ATOM 0 HH12 ARG A 639 5.828 10.515 -37.620 1.00 25.00 H new ATOM 0 HH21 ARG A 639 6.032 13.923 -38.255 1.00 25.00 H new ATOM 0 HH22 ARG A 639 6.054 12.291 -38.931 1.00 25.00 H new ATOM 714 N ALA A 640 2.769 15.123 -34.525 1.00 25.00 N ATOM 715 CA ALA A 640 2.107 15.067 -35.818 1.00 25.00 C ATOM 716 C ALA A 640 3.142 15.384 -36.890 1.00 25.00 C ATOM 717 O ALA A 640 4.267 15.751 -36.565 1.00 25.00 O ATOM 718 CB ALA A 640 0.950 16.074 -35.844 1.00 25.00 C ATOM 0 H ALA A 640 3.349 15.951 -34.390 1.00 25.00 H new ATOM 0 HA ALA A 640 1.690 14.077 -36.003 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.453 16.032 -36.813 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.235 15.827 -35.059 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.338 17.079 -35.678 1.00 25.00 H new ATOM 724 N LEU A 641 2.779 15.261 -38.155 1.00 25.00 N ATOM 725 CA LEU A 641 3.704 15.600 -39.236 1.00 25.00 C ATOM 726 C LEU A 641 4.035 17.090 -39.148 1.00 25.00 C ATOM 727 O LEU A 641 5.170 17.496 -39.366 1.00 25.00 O ATOM 728 CB LEU A 641 3.078 15.261 -40.592 1.00 25.00 C ATOM 729 CG LEU A 641 3.177 13.772 -40.966 1.00 25.00 C ATOM 730 CD1 LEU A 641 2.132 13.423 -42.011 1.00 25.00 C ATOM 731 CD2 LEU A 641 4.574 13.432 -41.504 1.00 25.00 C ATOM 0 H LEU A 641 1.863 14.934 -38.462 1.00 25.00 H new ATOM 0 HA LEU A 641 4.621 15.020 -39.137 1.00 25.00 H new ATOM 0 HB2 LEU A 641 2.028 15.554 -40.581 1.00 25.00 H new ATOM 0 HB3 LEU A 641 3.566 15.854 -41.366 1.00 25.00 H new ATOM 0 HG LEU A 641 2.998 13.186 -40.064 1.00 25.00 H new ATOM 0 HD11 LEU A 641 2.212 12.367 -42.267 1.00 25.00 H new ATOM 0 HD12 LEU A 641 1.138 13.625 -41.613 1.00 25.00 H new ATOM 0 HD13 LEU A 641 2.295 14.026 -42.904 1.00 25.00 H new ATOM 0 HD21 LEU A 641 4.617 12.374 -41.761 1.00 25.00 H new ATOM 0 HD22 LEU A 641 4.777 14.030 -42.393 1.00 25.00 H new ATOM 0 HD23 LEU A 641 5.321 13.651 -40.741 1.00 25.00 H new ATOM 743 N SER A 642 3.031 17.885 -38.809 1.00 25.00 N ATOM 744 CA SER A 642 3.174 19.333 -38.664 1.00 25.00 C ATOM 745 C SER A 642 3.394 19.813 -37.222 1.00 25.00 C ATOM 746 O SER A 642 3.365 21.016 -36.966 1.00 25.00 O ATOM 747 CB SER A 642 1.916 20.011 -39.198 1.00 25.00 C ATOM 748 OG SER A 642 1.532 19.452 -40.445 1.00 25.00 O ATOM 0 H SER A 642 2.087 17.545 -38.625 1.00 25.00 H new ATOM 0 HA SER A 642 4.068 19.601 -39.226 1.00 25.00 H new ATOM 0 HB2 SER A 642 1.104 19.899 -38.479 1.00 25.00 H new ATOM 0 HB3 SER A 642 2.095 21.080 -39.313 1.00 25.00 H new ATOM 0 HG SER A 642 0.645 19.044 -40.361 1.00 25.00 H new ATOM 754 N SER A 643 3.579 18.911 -36.263 1.00 25.00 N ATOM 755 CA SER A 643 3.723 19.330 -34.855 1.00 25.00 C ATOM 756 C SER A 643 4.691 18.502 -34.018 1.00 25.00 C ATOM 757 O SER A 643 4.823 17.303 -34.198 1.00 25.00 O ATOM 758 CB SER A 643 2.364 19.301 -34.163 1.00 25.00 C ATOM 759 OG SER A 643 1.463 20.207 -34.775 1.00 25.00 O ATOM 0 H SER A 643 3.633 17.905 -36.419 1.00 25.00 H new ATOM 0 HA SER A 643 4.143 20.334 -34.913 1.00 25.00 H new ATOM 0 HB2 SER A 643 1.953 18.292 -34.202 1.00 25.00 H new ATOM 0 HB3 SER A 643 2.483 19.556 -33.110 1.00 25.00 H new ATOM 0 HG SER A 643 0.598 20.169 -34.315 1.00 25.00 H new ATOM 765 N GLU A 644 5.342 19.178 -33.087 1.00 25.00 N ATOM 766 CA GLU A 644 6.296 18.567 -32.155 1.00 25.00 C ATOM 767 C GLU A 644 5.646 17.578 -31.180 1.00 25.00 C ATOM 768 O GLU A 644 4.419 17.525 -31.052 1.00 25.00 O ATOM 769 CB GLU A 644 6.931 19.687 -31.315 1.00 25.00 C ATOM 770 CG GLU A 644 5.908 20.369 -30.386 1.00 25.00 C ATOM 771 CD GLU A 644 6.492 21.469 -29.527 1.00 25.00 C ATOM 772 OE1 GLU A 644 7.693 21.772 -29.643 1.00 25.00 O ATOM 773 OE2 GLU A 644 5.716 22.039 -28.725 1.00 25.00 O ATOM 0 H GLU A 644 5.226 20.182 -32.949 1.00 25.00 H new ATOM 0 HA GLU A 644 7.022 18.018 -32.755 1.00 25.00 H new ATOM 0 HB2 GLU A 644 7.744 19.274 -30.717 1.00 25.00 H new ATOM 0 HB3 GLU A 644 7.370 20.432 -31.978 1.00 25.00 H new ATOM 0 HG2 GLU A 644 5.103 20.785 -30.992 1.00 25.00 H new ATOM 0 HG3 GLU A 644 5.462 19.614 -29.738 1.00 25.00 H new ATOM 780 N TRP A 645 6.488 16.830 -30.471 1.00 25.00 N ATOM 781 CA TRP A 645 6.043 15.959 -29.383 1.00 25.00 C ATOM 782 C TRP A 645 5.567 16.811 -28.209 1.00 25.00 C ATOM 783 O TRP A 645 6.368 17.257 -27.390 1.00 25.00 O ATOM 784 CB TRP A 645 7.190 15.066 -28.890 1.00 25.00 C ATOM 785 CG TRP A 645 7.431 13.844 -29.728 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.481 13.597 -30.553 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.595 12.671 -29.815 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.381 12.369 -31.142 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.234 11.763 -30.709 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.363 12.302 -29.239 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.684 10.506 -31.025 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.809 11.035 -29.548 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.483 10.149 -30.438 1.00 25.00 C ATOM 0 H TRP A 645 7.495 16.809 -30.633 1.00 25.00 H new ATOM 0 HA TRP A 645 5.234 15.334 -29.762 1.00 25.00 H new ATOM 0 HB2 TRP A 645 8.106 15.656 -28.859 1.00 25.00 H new ATOM 0 HB3 TRP A 645 6.977 14.754 -27.868 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.295 14.287 -30.722 1.00 25.00 H new ATOM 0 HE1 TRP A 645 9.052 11.969 -31.798 1.00 25.00 H new ATOM 0 HE3 TRP A 645 4.848 12.976 -28.571 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 7.187 9.837 -31.708 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 3.869 10.739 -29.106 1.00 25.00 H new ATOM 0 HH2 TRP A 645 5.050 9.184 -30.658 1.00 25.00 H new ATOM 804 N LYS A 646 4.263 17.024 -28.123 1.00 25.00 N ATOM 805 CA LYS A 646 3.677 17.782 -27.019 1.00 25.00 C ATOM 806 C LYS A 646 3.965 16.940 -25.777 1.00 25.00 C ATOM 807 O LYS A 646 3.678 15.745 -25.769 1.00 25.00 O ATOM 808 CB LYS A 646 2.176 17.983 -27.241 1.00 25.00 C ATOM 809 CG LYS A 646 1.826 18.585 -28.617 1.00 25.00 C ATOM 810 CD LYS A 646 2.374 20.000 -28.823 1.00 25.00 C ATOM 811 CE LYS A 646 2.262 20.406 -30.290 1.00 25.00 C ATOM 812 NZ LYS A 646 0.849 20.402 -30.790 1.00 25.00 N ATOM 0 H LYS A 646 3.585 16.683 -28.805 1.00 25.00 H new ATOM 0 HA LYS A 646 4.095 18.784 -26.926 1.00 25.00 H new ATOM 0 HB2 LYS A 646 1.671 17.023 -27.136 1.00 25.00 H new ATOM 0 HB3 LYS A 646 1.787 18.636 -26.460 1.00 25.00 H new ATOM 0 HG2 LYS A 646 2.218 17.935 -29.399 1.00 25.00 H new ATOM 0 HG3 LYS A 646 0.742 18.604 -28.731 1.00 25.00 H new ATOM 0 HD2 LYS A 646 1.822 20.705 -28.201 1.00 25.00 H new ATOM 0 HD3 LYS A 646 3.416 20.043 -28.506 1.00 25.00 H new ATOM 0 HE2 LYS A 646 2.685 21.402 -30.419 1.00 25.00 H new ATOM 0 HE3 LYS A 646 2.859 19.725 -30.897 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 0.828 20.734 -31.775 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 0.467 19.436 -30.742 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 0.270 21.033 -30.200 1.00 25.00 H new ATOM 826 N PRO A 647 4.582 17.530 -24.741 1.00 25.00 N ATOM 827 CA PRO A 647 5.155 16.664 -23.702 1.00 25.00 C ATOM 828 C PRO A 647 4.239 16.004 -22.670 1.00 25.00 C ATOM 829 O PRO A 647 4.531 14.886 -22.238 1.00 25.00 O ATOM 830 CB PRO A 647 6.130 17.606 -22.993 1.00 25.00 C ATOM 831 CG PRO A 647 5.487 18.943 -23.107 1.00 25.00 C ATOM 832 CD PRO A 647 4.886 18.953 -24.493 1.00 25.00 C ATOM 0 HA PRO A 647 5.557 15.779 -24.195 1.00 25.00 H new ATOM 0 HB2 PRO A 647 6.275 17.320 -21.951 1.00 25.00 H new ATOM 0 HB3 PRO A 647 7.112 17.594 -23.466 1.00 25.00 H new ATOM 0 HG2 PRO A 647 4.724 19.084 -22.342 1.00 25.00 H new ATOM 0 HG3 PRO A 647 6.214 19.746 -22.983 1.00 25.00 H new ATOM 0 HD2 PRO A 647 3.989 19.570 -24.538 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.583 19.350 -25.231 1.00 25.00 H new ATOM 840 N GLU A 648 3.176 16.672 -22.245 1.00 25.00 N ATOM 841 CA GLU A 648 2.329 16.156 -21.168 1.00 25.00 C ATOM 842 C GLU A 648 0.952 16.823 -21.213 1.00 25.00 C ATOM 843 O GLU A 648 0.851 18.009 -21.533 1.00 25.00 O ATOM 844 CB GLU A 648 3.024 16.457 -19.827 1.00 25.00 C ATOM 845 CG GLU A 648 2.214 16.169 -18.574 1.00 25.00 C ATOM 846 CD GLU A 648 1.673 17.452 -17.965 1.00 25.00 C ATOM 847 OE1 GLU A 648 2.403 18.119 -17.208 1.00 25.00 O ATOM 848 OE2 GLU A 648 0.521 17.818 -18.257 1.00 25.00 O ATOM 0 H GLU A 648 2.876 17.570 -22.625 1.00 25.00 H new ATOM 0 HA GLU A 648 2.187 15.082 -21.283 1.00 25.00 H new ATOM 0 HB2 GLU A 648 3.946 15.877 -19.781 1.00 25.00 H new ATOM 0 HB3 GLU A 648 3.309 17.509 -19.817 1.00 25.00 H new ATOM 0 HG2 GLU A 648 1.387 15.501 -18.817 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.838 15.652 -17.845 1.00 25.00 H new ATOM 855 N ILE A 649 -0.087 16.059 -20.885 1.00 25.00 N ATOM 856 CA ILE A 649 -1.466 16.554 -20.814 1.00 25.00 C ATOM 857 C ILE A 649 -2.017 16.051 -19.454 1.00 25.00 C ATOM 858 O ILE A 649 -2.146 14.852 -19.226 1.00 25.00 O ATOM 859 CB ILE A 649 -2.300 16.041 -22.043 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.650 16.470 -23.381 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.743 16.546 -22.004 1.00 25.00 C ATOM 862 CD1 ILE A 649 -1.684 18.003 -23.685 1.00 25.00 C ATOM 0 H ILE A 649 0.002 15.069 -20.658 1.00 25.00 H new ATOM 0 HA ILE A 649 -1.526 17.641 -20.865 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.308 14.953 -21.977 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.611 16.140 -23.382 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -2.152 15.945 -24.194 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -4.284 16.168 -22.871 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -4.227 16.194 -21.093 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -3.748 17.636 -22.020 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -1.203 18.194 -24.644 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -2.719 18.343 -23.723 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -1.154 18.542 -22.900 1.00 25.00 H new ATOM 874 N ARG A 650 -2.291 17.004 -18.569 1.00 25.00 N ATOM 875 CA ARG A 650 -2.620 16.795 -17.129 1.00 25.00 C ATOM 876 C ARG A 650 -4.060 16.482 -16.674 1.00 25.00 C ATOM 877 O ARG A 650 -4.890 17.378 -16.552 1.00 25.00 O ATOM 878 CB ARG A 650 -2.335 18.163 -16.499 1.00 25.00 C ATOM 879 CG ARG A 650 -3.099 19.337 -17.287 1.00 25.00 C ATOM 880 CD ARG A 650 -2.220 20.542 -17.736 1.00 25.00 C ATOM 881 NE ARG A 650 -0.772 20.258 -17.791 1.00 25.00 N ATOM 882 CZ ARG A 650 0.194 21.168 -17.795 1.00 25.00 C ATOM 883 NH1 ARG A 650 -0.052 22.456 -17.781 1.00 25.00 N ATOM 884 NH2 ARG A 650 1.433 20.773 -17.801 1.00 25.00 N ATOM 0 H ARG A 650 -2.295 17.991 -18.828 1.00 25.00 H new ATOM 0 HA ARG A 650 -2.055 15.905 -16.851 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -2.649 18.158 -15.455 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -1.262 18.354 -16.508 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -3.570 18.907 -18.171 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -3.899 19.714 -16.650 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -2.551 20.869 -18.722 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -2.388 21.373 -17.051 1.00 25.00 H new ATOM 0 HE ARG A 650 -0.490 19.278 -17.829 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -1.015 22.791 -17.766 1.00 25.00 H new ATOM 0 HH12 ARG A 650 0.720 23.123 -17.785 1.00 25.00 H new ATOM 0 HH21 ARG A 650 1.651 19.776 -17.803 1.00 25.00 H new ATOM 0 HH22 ARG A 650 2.187 21.460 -17.804 1.00 25.00 H new ATOM 898 N LEU A 651 -4.389 15.246 -16.364 1.00 25.00 N ATOM 899 CA LEU A 651 -5.782 14.974 -15.999 1.00 25.00 C ATOM 900 C LEU A 651 -5.942 14.062 -14.772 1.00 25.00 C ATOM 901 O LEU A 651 -5.105 13.194 -14.528 1.00 25.00 O ATOM 902 CB LEU A 651 -6.521 14.421 -17.238 1.00 25.00 C ATOM 903 CG LEU A 651 -6.954 15.414 -18.368 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.853 16.520 -17.826 1.00 25.00 C ATOM 905 CD2 LEU A 651 -5.799 16.080 -19.211 1.00 25.00 C ATOM 0 H LEU A 651 -3.757 14.445 -16.353 1.00 25.00 H new ATOM 0 HA LEU A 651 -6.235 15.916 -15.688 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.882 13.664 -17.692 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -7.418 13.911 -16.886 1.00 25.00 H new ATOM 0 HG LEU A 651 -7.487 14.761 -19.059 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -8.134 17.191 -18.638 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -8.750 16.079 -17.392 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -7.318 17.082 -17.060 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -6.231 16.745 -19.959 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -5.149 16.652 -18.549 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -5.217 15.304 -19.708 1.00 25.00 H new ATOM 917 N PRO A 652 -7.019 14.270 -13.972 1.00 25.00 N ATOM 918 CA PRO A 652 -7.299 13.435 -12.793 1.00 25.00 C ATOM 919 C PRO A 652 -7.915 12.079 -13.117 1.00 25.00 C ATOM 920 O PRO A 652 -8.479 11.893 -14.191 1.00 25.00 O ATOM 921 CB PRO A 652 -8.344 14.262 -12.044 1.00 25.00 C ATOM 922 CG PRO A 652 -9.095 14.931 -13.115 1.00 25.00 C ATOM 923 CD PRO A 652 -8.045 15.327 -14.112 1.00 25.00 C ATOM 0 HA PRO A 652 -6.378 13.210 -12.255 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -8.992 13.631 -11.435 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -7.877 14.983 -11.372 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.834 14.264 -13.559 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -9.635 15.800 -12.739 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -8.447 15.365 -15.125 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.637 16.314 -13.894 1.00 25.00 H new ATOM 931 N SER A 653 -7.837 11.151 -12.165 1.00 25.00 N ATOM 932 CA SER A 653 -8.388 9.785 -12.303 1.00 25.00 C ATOM 933 C SER A 653 -9.918 9.686 -12.415 1.00 25.00 C ATOM 934 O SER A 653 -10.465 8.594 -12.398 1.00 25.00 O ATOM 935 CB SER A 653 -7.935 8.940 -11.109 1.00 25.00 C ATOM 936 OG SER A 653 -8.184 7.557 -11.311 1.00 25.00 O ATOM 0 H SER A 653 -7.388 11.318 -11.265 1.00 25.00 H new ATOM 0 HA SER A 653 -7.999 9.420 -13.254 1.00 25.00 H new ATOM 0 HB2 SER A 653 -6.870 9.095 -10.938 1.00 25.00 H new ATOM 0 HB3 SER A 653 -8.454 9.274 -10.211 1.00 25.00 H new ATOM 0 HG SER A 653 -9.021 7.444 -11.808 1.00 25.00 H new ATOM 942 N GLY A 654 -10.596 10.820 -12.529 1.00 25.00 N ATOM 943 CA GLY A 654 -12.043 10.834 -12.701 1.00 25.00 C ATOM 944 C GLY A 654 -12.410 11.291 -14.100 1.00 25.00 C ATOM 945 O GLY A 654 -13.575 11.519 -14.404 1.00 25.00 O ATOM 0 H GLY A 654 -10.166 11.745 -12.505 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -12.446 9.837 -12.521 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -12.496 11.498 -11.965 1.00 25.00 H new ATOM 949 N SER A 655 -11.407 11.440 -14.953 1.00 25.00 N ATOM 950 CA SER A 655 -11.622 11.903 -16.320 1.00 25.00 C ATOM 951 C SER A 655 -12.018 10.715 -17.196 1.00 25.00 C ATOM 952 O SER A 655 -11.276 9.751 -17.294 1.00 25.00 O ATOM 953 CB SER A 655 -10.340 12.542 -16.851 1.00 25.00 C ATOM 954 OG SER A 655 -9.957 13.621 -16.030 1.00 25.00 O ATOM 0 H SER A 655 -10.432 11.247 -14.723 1.00 25.00 H new ATOM 0 HA SER A 655 -12.420 12.645 -16.338 1.00 25.00 H new ATOM 0 HB2 SER A 655 -9.542 11.800 -16.884 1.00 25.00 H new ATOM 0 HB3 SER A 655 -10.495 12.890 -17.872 1.00 25.00 H new ATOM 0 HG SER A 655 -9.301 13.313 -15.370 1.00 25.00 H new ATOM 960 N ASP A 656 -13.188 10.784 -17.816 1.00 25.00 N ATOM 961 CA ASP A 656 -13.693 9.682 -18.651 1.00 25.00 C ATOM 962 C ASP A 656 -12.997 9.574 -20.003 1.00 25.00 C ATOM 963 O ASP A 656 -12.810 8.488 -20.545 1.00 25.00 O ATOM 964 CB ASP A 656 -15.192 9.870 -18.878 1.00 25.00 C ATOM 965 CG ASP A 656 -15.804 8.745 -19.691 1.00 25.00 C ATOM 966 OD1 ASP A 656 -16.007 7.635 -19.143 1.00 25.00 O ATOM 967 OD2 ASP A 656 -16.093 8.983 -20.885 1.00 25.00 O ATOM 0 H ASP A 656 -13.812 11.589 -17.762 1.00 25.00 H new ATOM 0 HA ASP A 656 -13.484 8.759 -18.111 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -15.697 9.933 -17.914 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -15.362 10.817 -19.389 1.00 25.00 H new ATOM 972 N HIS A 657 -12.599 10.708 -20.546 1.00 25.00 N ATOM 973 CA HIS A 657 -11.903 10.745 -21.819 1.00 25.00 C ATOM 974 C HIS A 657 -11.152 12.054 -21.875 1.00 25.00 C ATOM 975 O HIS A 657 -11.386 12.946 -21.058 1.00 25.00 O ATOM 976 CB HIS A 657 -12.889 10.622 -22.992 1.00 25.00 C ATOM 977 CG HIS A 657 -14.026 11.592 -22.930 1.00 25.00 C ATOM 978 ND1 HIS A 657 -15.252 11.308 -22.383 1.00 25.00 N ATOM 979 CD2 HIS A 657 -14.124 12.876 -23.372 1.00 25.00 C ATOM 980 CE1 HIS A 657 -16.020 12.384 -22.504 1.00 25.00 C ATOM 981 NE2 HIS A 657 -15.384 13.372 -23.103 1.00 25.00 N ATOM 0 H HIS A 657 -12.747 11.624 -20.122 1.00 25.00 H new ATOM 0 HA HIS A 657 -11.214 9.904 -21.904 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.348 10.770 -23.926 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.289 9.608 -23.013 1.00 25.00 H new ATOM 0 HD1 HIS A 657 -15.526 10.423 -21.957 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -13.333 13.425 -23.861 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -17.040 12.443 -22.155 1.00 25.00 H new ATOM 989 N VAL A 658 -10.255 12.169 -22.835 1.00 25.00 N ATOM 990 CA VAL A 658 -9.484 13.383 -23.031 1.00 25.00 C ATOM 991 C VAL A 658 -9.536 13.678 -24.522 1.00 25.00 C ATOM 992 O VAL A 658 -9.431 12.771 -25.355 1.00 25.00 O ATOM 993 CB VAL A 658 -8.013 13.229 -22.484 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.253 12.088 -23.185 1.00 25.00 C ATOM 995 CG2 VAL A 658 -7.232 14.545 -22.616 1.00 25.00 C ATOM 0 H VAL A 658 -10.040 11.426 -23.500 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.899 14.219 -22.468 1.00 25.00 H new ATOM 0 HB VAL A 658 -8.095 12.975 -21.427 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.245 12.018 -22.777 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.777 11.147 -23.020 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.198 12.291 -24.255 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -6.221 14.409 -22.231 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -7.184 14.836 -23.665 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -7.735 15.326 -22.046 1.00 25.00 H new ATOM 1005 N MET A 659 -9.714 14.942 -24.868 1.00 25.00 N ATOM 1006 CA MET A 659 -9.746 15.340 -26.265 1.00 25.00 C ATOM 1007 C MET A 659 -8.496 16.138 -26.558 1.00 25.00 C ATOM 1008 O MET A 659 -8.225 17.151 -25.916 1.00 25.00 O ATOM 1009 CB MET A 659 -10.999 16.148 -26.595 1.00 25.00 C ATOM 1010 CG MET A 659 -11.154 16.358 -28.087 1.00 25.00 C ATOM 1011 SD MET A 659 -12.753 17.000 -28.546 1.00 25.00 S ATOM 1012 CE MET A 659 -12.800 16.503 -30.281 1.00 25.00 C ATOM 0 H MET A 659 -9.838 15.707 -24.204 1.00 25.00 H new ATOM 0 HA MET A 659 -9.778 14.449 -26.892 1.00 25.00 H new ATOM 0 HB2 MET A 659 -11.877 15.632 -26.207 1.00 25.00 H new ATOM 0 HB3 MET A 659 -10.951 17.115 -26.095 1.00 25.00 H new ATOM 0 HG2 MET A 659 -10.381 17.045 -28.432 1.00 25.00 H new ATOM 0 HG3 MET A 659 -10.990 15.410 -28.599 1.00 25.00 H new ATOM 0 HE1 MET A 659 -12.969 17.380 -30.906 1.00 25.00 H new ATOM 0 HE2 MET A 659 -11.851 16.041 -30.553 1.00 25.00 H new ATOM 0 HE3 MET A 659 -13.608 15.788 -30.433 1.00 25.00 H new ATOM 1022 N LEU A 660 -7.729 15.666 -27.521 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.491 16.322 -27.903 1.00 25.00 C ATOM 1024 C LEU A 660 -6.809 17.279 -29.028 1.00 25.00 C ATOM 1025 O LEU A 660 -7.785 17.084 -29.741 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.463 15.290 -28.358 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.036 14.271 -27.290 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.057 13.305 -27.916 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.395 14.944 -26.068 1.00 25.00 C ATOM 0 H LEU A 660 -7.942 14.825 -28.057 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.067 16.860 -27.055 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -5.871 14.748 -29.211 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -4.576 15.816 -28.709 1.00 25.00 H new ATOM 0 HG LEU A 660 -5.925 13.749 -26.936 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.742 12.573 -27.172 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.535 12.792 -28.750 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.187 13.852 -28.278 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -4.110 14.183 -25.341 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.509 15.497 -26.380 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -5.110 15.630 -25.614 1.00 25.00 H new ATOM 1041 N LYS A 661 -5.991 18.309 -29.175 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.175 19.339 -30.199 1.00 25.00 C ATOM 1043 C LYS A 661 -4.779 19.743 -30.633 1.00 25.00 C ATOM 1044 O LYS A 661 -3.814 19.257 -30.060 1.00 25.00 O ATOM 1045 CB LYS A 661 -6.968 20.529 -29.630 1.00 25.00 C ATOM 1046 CG LYS A 661 -8.437 20.466 -30.022 1.00 25.00 C ATOM 1047 CD LYS A 661 -9.295 21.538 -29.418 1.00 25.00 C ATOM 1048 CE LYS A 661 -10.633 21.543 -30.160 1.00 25.00 C ATOM 1049 NZ LYS A 661 -11.480 20.310 -29.912 1.00 25.00 N ATOM 0 H LYS A 661 -5.173 18.460 -28.585 1.00 25.00 H new ATOM 0 HA LYS A 661 -6.751 18.974 -31.049 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -6.881 20.538 -28.543 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -6.535 21.461 -29.992 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -8.512 20.529 -31.108 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -8.835 19.494 -29.731 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -9.449 21.350 -28.355 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -8.808 22.509 -29.503 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -11.199 22.426 -29.862 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -10.443 21.632 -31.230 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -11.712 19.860 -30.820 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -10.951 19.639 -29.318 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -12.358 20.584 -29.427 1.00 25.00 H new ATOM 1063 N SER A 662 -4.683 20.611 -31.636 1.00 25.00 N ATOM 1064 CA SER A 662 -3.392 21.063 -32.186 1.00 25.00 C ATOM 1065 C SER A 662 -2.624 19.868 -32.758 1.00 25.00 C ATOM 1066 O SER A 662 -1.457 19.639 -32.432 1.00 25.00 O ATOM 1067 CB SER A 662 -2.554 21.802 -31.130 1.00 25.00 C ATOM 1068 OG SER A 662 -1.445 22.456 -31.727 1.00 25.00 O ATOM 0 H SER A 662 -5.493 21.026 -32.096 1.00 25.00 H new ATOM 0 HA SER A 662 -3.592 21.772 -32.989 1.00 25.00 H new ATOM 0 HB2 SER A 662 -3.176 22.532 -30.613 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.202 21.094 -30.379 1.00 25.00 H new ATOM 0 HG SER A 662 -0.889 21.797 -32.194 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.310 19.117 -33.604 1.00 25.00 N ATOM 1075 CA LEU A 663 -2.769 17.926 -34.246 1.00 25.00 C ATOM 1076 C LEU A 663 -3.264 17.942 -35.686 1.00 25.00 C ATOM 1077 O LEU A 663 -4.248 18.618 -35.988 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.248 16.669 -33.498 1.00 25.00 C ATOM 1079 CG LEU A 663 -4.768 16.514 -33.231 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.522 15.883 -34.389 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -4.945 15.657 -31.986 1.00 25.00 C ATOM 0 H LEU A 663 -4.274 19.319 -33.869 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.679 17.914 -34.225 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -2.918 15.798 -34.064 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -2.735 16.637 -32.537 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.185 17.512 -33.099 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.579 15.804 -34.135 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.407 16.503 -35.278 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -5.121 14.889 -34.585 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -6.008 15.533 -31.777 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.491 14.680 -32.150 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.463 16.143 -31.138 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.591 17.219 -36.565 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.992 17.165 -37.968 1.00 25.00 C ATOM 1095 C ASP A 664 -4.295 16.404 -38.080 1.00 25.00 C ATOM 1096 O ASP A 664 -4.515 15.447 -37.365 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.943 16.440 -38.808 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.755 17.312 -39.130 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.950 18.429 -39.642 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.384 16.889 -38.865 1.00 25.00 O ATOM 0 H ASP A 664 -1.767 16.662 -36.337 1.00 25.00 H new ATOM 0 HA ASP A 664 -3.101 18.186 -38.333 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.604 15.553 -38.273 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -2.400 16.097 -39.736 1.00 25.00 H new ATOM 1105 N TRP A 665 -5.162 16.822 -38.982 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.428 16.126 -39.192 1.00 25.00 C ATOM 1107 C TRP A 665 -6.451 15.494 -40.570 1.00 25.00 C ATOM 1108 O TRP A 665 -6.896 14.374 -40.728 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.607 17.086 -38.993 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.392 18.444 -39.605 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.655 19.470 -39.099 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.925 18.943 -40.849 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.669 20.555 -39.917 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.436 20.274 -41.014 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.766 18.402 -41.842 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.753 21.062 -42.137 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -9.093 19.198 -42.974 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -8.575 20.519 -43.108 1.00 25.00 C ATOM 0 H TRP A 665 -5.019 17.635 -39.581 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.525 15.329 -38.454 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.503 16.641 -39.425 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.792 17.204 -37.925 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.123 19.427 -38.160 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.186 21.436 -39.741 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -9.156 17.399 -41.745 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -7.364 22.065 -42.238 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -9.740 18.797 -43.740 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.828 21.104 -43.980 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.943 16.210 -41.559 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.885 15.728 -42.940 1.00 25.00 C ATOM 1131 C ASN A 666 -4.555 15.029 -43.221 1.00 25.00 C ATOM 1132 O ASN A 666 -4.210 14.783 -44.375 1.00 25.00 O ATOM 1133 CB ASN A 666 -6.041 16.913 -43.903 1.00 25.00 C ATOM 1134 CG ASN A 666 -4.908 17.900 -43.788 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -4.667 18.465 -42.728 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -4.204 18.103 -44.863 1.00 25.00 N ATOM 0 H ASN A 666 -5.557 17.145 -41.432 1.00 25.00 H new ATOM 0 HA ASN A 666 -6.694 15.013 -43.087 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -6.093 16.541 -44.926 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -6.984 17.421 -43.700 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -3.418 18.753 -44.843 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -4.438 17.612 -45.726 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.812 14.725 -42.167 1.00 25.00 N ATOM 1144 CA ALA A 667 -2.509 14.080 -42.283 1.00 25.00 C ATOM 1145 C ALA A 667 -2.322 13.219 -41.033 1.00 25.00 C ATOM 1146 O ALA A 667 -3.124 13.308 -40.109 1.00 25.00 O ATOM 1147 CB ALA A 667 -1.394 15.134 -42.420 1.00 25.00 C ATOM 0 H ALA A 667 -4.094 14.918 -41.206 1.00 25.00 H new ATOM 0 HA ALA A 667 -2.457 13.457 -43.176 1.00 25.00 H new ATOM 0 HB1 ALA A 667 -0.429 14.634 -42.505 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -1.570 15.737 -43.311 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -1.392 15.778 -41.541 1.00 25.00 H new ATOM 1153 N GLU A 668 -1.294 12.388 -41.013 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.100 11.434 -39.928 1.00 25.00 C ATOM 1155 C GLU A 668 -0.413 12.028 -38.704 1.00 25.00 C ATOM 1156 O GLU A 668 0.452 12.906 -38.809 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.231 10.269 -40.418 1.00 25.00 C ATOM 1158 CG GLU A 668 -0.715 9.596 -41.707 1.00 25.00 C ATOM 1159 CD GLU A 668 -0.716 8.063 -41.615 1.00 25.00 C ATOM 1160 OE1 GLU A 668 -1.715 7.440 -42.057 1.00 25.00 O ATOM 1161 OE2 GLU A 668 0.264 7.483 -41.111 1.00 25.00 O ATOM 0 H GLU A 668 -0.577 12.353 -41.737 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.099 11.112 -39.633 1.00 25.00 H new ATOM 0 HB2 GLU A 668 0.784 10.634 -40.576 1.00 25.00 H new ATOM 0 HB3 GLU A 668 -0.180 9.517 -39.630 1.00 25.00 H new ATOM 0 HG2 GLU A 668 -1.723 9.942 -41.936 1.00 25.00 H new ATOM 0 HG3 GLU A 668 -0.076 9.905 -42.535 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.795 11.519 -37.542 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.195 11.907 -36.274 1.00 25.00 C ATOM 1170 C TYR A 669 -0.264 10.706 -35.347 1.00 25.00 C ATOM 1171 O TYR A 669 -1.066 9.798 -35.569 1.00 25.00 O ATOM 1172 CB TYR A 669 -0.941 13.091 -35.664 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.372 12.799 -35.324 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.374 12.909 -36.301 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.743 12.417 -34.018 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.717 12.662 -35.989 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.096 12.164 -33.703 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.066 12.299 -34.695 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.373 12.087 -34.409 1.00 25.00 O ATOM 0 H TYR A 669 -1.534 10.822 -37.452 1.00 25.00 H new ATOM 0 HA TYR A 669 0.840 12.215 -36.426 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.421 13.409 -34.760 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.907 13.927 -36.362 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.105 13.188 -37.309 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -1.987 12.317 -33.253 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.477 12.753 -36.751 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.377 11.869 -32.703 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.930 12.652 -34.985 1.00 25.00 H new ATOM 1189 N GLU A 670 0.578 10.698 -34.325 1.00 25.00 N ATOM 1190 CA GLU A 670 0.665 9.582 -33.386 1.00 25.00 C ATOM 1191 C GLU A 670 0.465 10.078 -31.958 1.00 25.00 C ATOM 1192 O GLU A 670 0.860 11.195 -31.610 1.00 25.00 O ATOM 1193 CB GLU A 670 2.028 8.887 -33.528 1.00 25.00 C ATOM 1194 CG GLU A 670 3.228 9.790 -33.241 1.00 25.00 C ATOM 1195 CD GLU A 670 4.550 9.124 -33.572 1.00 25.00 C ATOM 1196 OE1 GLU A 670 5.305 9.685 -34.400 1.00 25.00 O ATOM 1197 OE2 GLU A 670 4.844 8.055 -33.006 1.00 25.00 O ATOM 0 H GLU A 670 1.221 11.463 -34.120 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.122 8.863 -33.614 1.00 25.00 H new ATOM 0 HB2 GLU A 670 2.060 8.034 -32.850 1.00 25.00 H new ATOM 0 HB3 GLU A 670 2.118 8.493 -34.540 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.133 10.709 -33.819 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.221 10.074 -32.189 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.163 9.249 -31.136 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.457 9.593 -29.745 1.00 25.00 C ATOM 1206 C VAL A 671 -0.042 8.459 -28.821 1.00 25.00 C ATOM 1207 O VAL A 671 -0.420 7.325 -29.057 1.00 25.00 O ATOM 1208 CB VAL A 671 -1.990 9.798 -29.551 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.326 10.154 -28.092 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.529 10.885 -30.500 1.00 25.00 C ATOM 0 H VAL A 671 -0.484 8.320 -31.410 1.00 25.00 H new ATOM 0 HA VAL A 671 0.090 10.506 -29.510 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.477 8.854 -29.794 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.403 10.291 -27.989 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -1.998 9.347 -27.436 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -1.815 11.076 -27.816 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.601 11.007 -30.343 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.023 11.829 -30.297 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.345 10.590 -31.533 1.00 25.00 H new ATOM 1220 N TYR A 672 0.705 8.776 -27.771 1.00 25.00 N ATOM 1221 CA TYR A 672 1.096 7.815 -26.735 1.00 25.00 C ATOM 1222 C TYR A 672 0.460 8.258 -25.434 1.00 25.00 C ATOM 1223 O TYR A 672 0.326 9.453 -25.181 1.00 25.00 O ATOM 1224 CB TYR A 672 2.613 7.792 -26.547 1.00 25.00 C ATOM 1225 CG TYR A 672 3.307 6.945 -27.570 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.756 5.648 -27.246 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.510 7.423 -28.871 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.382 4.831 -28.222 1.00 25.00 C ATOM 1229 CE2 TYR A 672 4.148 6.615 -29.855 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.573 5.323 -29.520 1.00 25.00 C ATOM 1231 OH TYR A 672 5.169 4.530 -30.465 1.00 25.00 O ATOM 0 H TYR A 672 1.063 9.717 -27.609 1.00 25.00 H new ATOM 0 HA TYR A 672 0.769 6.818 -27.029 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.998 8.810 -26.602 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.846 7.416 -25.551 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.622 5.272 -26.242 1.00 25.00 H new ATOM 0 HD2 TYR A 672 3.178 8.417 -29.131 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.710 3.834 -27.966 1.00 25.00 H new ATOM 0 HE2 TYR A 672 4.303 6.996 -30.854 1.00 25.00 H new ATOM 0 HH TYR A 672 5.226 5.018 -31.313 1.00 25.00 H new ATOM 1241 N VAL A 673 0.073 7.306 -24.603 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.564 7.617 -23.331 1.00 25.00 C ATOM 1243 C VAL A 673 -0.154 6.575 -22.294 1.00 25.00 C ATOM 1244 O VAL A 673 -0.042 5.382 -22.607 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.130 7.677 -23.518 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -2.645 6.461 -24.318 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -2.865 7.803 -22.170 1.00 25.00 C ATOM 0 H VAL A 673 0.188 6.309 -24.785 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.238 8.594 -22.975 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.350 8.577 -24.093 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -3.727 6.531 -24.430 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.178 6.449 -25.303 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.394 5.543 -23.787 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -3.940 7.841 -22.344 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -2.629 6.942 -21.545 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.547 8.715 -21.666 1.00 25.00 H new ATOM 1257 N VAL A 674 0.070 7.031 -21.066 1.00 25.00 N ATOM 1258 CA VAL A 674 0.335 6.151 -19.927 1.00 25.00 C ATOM 1259 C VAL A 674 -0.425 6.708 -18.727 1.00 25.00 C ATOM 1260 O VAL A 674 -0.773 7.899 -18.691 1.00 25.00 O ATOM 1261 CB VAL A 674 1.860 6.051 -19.555 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.643 5.360 -20.654 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.463 7.423 -19.285 1.00 25.00 C ATOM 0 H VAL A 674 0.073 8.023 -20.829 1.00 25.00 H new ATOM 0 HA VAL A 674 0.012 5.146 -20.199 1.00 25.00 H new ATOM 0 HB VAL A 674 1.926 5.459 -18.642 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.694 5.304 -20.372 1.00 25.00 H new ATOM 0 HG12 VAL A 674 2.253 4.353 -20.801 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.546 5.926 -21.581 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.517 7.313 -19.031 1.00 25.00 H new ATOM 0 HG22 VAL A 674 2.367 8.044 -20.175 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.937 7.895 -18.455 1.00 25.00 H new ATOM 1273 N ALA A 675 -0.668 5.852 -17.750 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.316 6.238 -16.508 1.00 25.00 C ATOM 1275 C ALA A 675 -0.235 6.188 -15.434 1.00 25.00 C ATOM 1276 O ALA A 675 0.667 5.354 -15.509 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.457 5.275 -16.184 1.00 25.00 C ATOM 0 H ALA A 675 -0.420 4.864 -17.796 1.00 25.00 H new ATOM 0 HA ALA A 675 -1.754 7.234 -16.574 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -2.933 5.576 -15.251 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.191 5.296 -16.990 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.062 4.265 -16.080 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.314 7.075 -14.457 1.00 25.00 N ATOM 1284 CA GLU A 676 0.674 7.137 -13.386 1.00 25.00 C ATOM 1285 C GLU A 676 -0.046 7.127 -12.047 1.00 25.00 C ATOM 1286 O GLU A 676 -0.710 8.094 -11.690 1.00 25.00 O ATOM 1287 CB GLU A 676 1.504 8.421 -13.555 1.00 25.00 C ATOM 1288 CG GLU A 676 2.705 8.517 -12.641 1.00 25.00 C ATOM 1289 CD GLU A 676 3.566 9.717 -12.952 1.00 25.00 C ATOM 1290 OE1 GLU A 676 3.109 10.861 -12.742 1.00 25.00 O ATOM 1291 OE2 GLU A 676 4.714 9.516 -13.424 1.00 25.00 O ATOM 0 H GLU A 676 -1.058 7.769 -14.381 1.00 25.00 H new ATOM 0 HA GLU A 676 1.343 6.277 -13.426 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.844 8.485 -14.589 1.00 25.00 H new ATOM 0 HB3 GLU A 676 0.859 9.281 -13.378 1.00 25.00 H new ATOM 0 HG2 GLU A 676 2.368 8.573 -11.606 1.00 25.00 H new ATOM 0 HG3 GLU A 676 3.302 7.610 -12.733 1.00 25.00 H new ATOM 1298 N ASN A 677 0.067 6.036 -11.300 1.00 25.00 N ATOM 1299 CA ASN A 677 -0.607 5.946 -10.008 1.00 25.00 C ATOM 1300 C ASN A 677 0.412 6.242 -8.919 1.00 25.00 C ATOM 1301 O ASN A 677 1.557 6.558 -9.202 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.401 4.621 -9.827 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.545 3.432 -9.449 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.661 3.495 -9.422 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.191 2.340 -9.144 1.00 25.00 N ATOM 0 H ASN A 677 0.610 5.212 -11.560 1.00 25.00 H new ATOM 0 HA ASN A 677 -1.392 6.699 -9.942 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.160 4.767 -9.058 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -1.927 4.396 -10.755 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -0.677 1.502 -8.871 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.210 2.324 -9.178 1.00 25.00 H new ATOM 1312 N GLN A 678 -0.005 6.166 -7.669 1.00 25.00 N ATOM 1313 CA GLN A 678 0.867 6.520 -6.554 1.00 25.00 C ATOM 1314 C GLN A 678 1.988 5.490 -6.270 1.00 25.00 C ATOM 1315 O GLN A 678 2.768 5.658 -5.341 1.00 25.00 O ATOM 1316 CB GLN A 678 -0.020 6.795 -5.336 1.00 25.00 C ATOM 1317 CG GLN A 678 0.653 7.591 -4.217 1.00 25.00 C ATOM 1318 CD GLN A 678 -0.342 8.125 -3.218 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -1.160 8.964 -3.544 1.00 25.00 O ATOM 1320 NE2 GLN A 678 -0.272 7.652 -2.002 1.00 25.00 N ATOM 0 H GLN A 678 -0.940 5.863 -7.396 1.00 25.00 H new ATOM 0 HA GLN A 678 1.425 7.418 -6.818 1.00 25.00 H new ATOM 0 HB2 GLN A 678 -0.907 7.337 -5.665 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -0.361 5.842 -4.930 1.00 25.00 H new ATOM 0 HG2 GLN A 678 1.374 6.954 -3.704 1.00 25.00 H new ATOM 0 HG3 GLN A 678 1.212 8.421 -4.650 1.00 25.00 H new ATOM 0 HE21 GLN A 678 0.429 6.949 -1.768 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -0.918 7.986 -1.287 1.00 25.00 H new ATOM 1329 N GLN A 679 2.061 4.432 -7.071 1.00 25.00 N ATOM 1330 CA GLN A 679 3.082 3.390 -6.898 1.00 25.00 C ATOM 1331 C GLN A 679 3.985 3.206 -8.123 1.00 25.00 C ATOM 1332 O GLN A 679 5.123 2.773 -7.983 1.00 25.00 O ATOM 1333 CB GLN A 679 2.399 2.053 -6.595 1.00 25.00 C ATOM 1334 CG GLN A 679 2.422 1.656 -5.117 1.00 25.00 C ATOM 1335 CD GLN A 679 1.595 2.563 -4.209 1.00 25.00 C ATOM 1336 OE1 GLN A 679 0.444 2.986 -4.666 1.00 25.00 O flip ATOM 1337 NE2 GLN A 679 1.997 2.856 -3.089 1.00 25.00 N flip ATOM 0 H GLN A 679 1.425 4.268 -7.851 1.00 25.00 H new ATOM 0 HA GLN A 679 3.715 3.716 -6.073 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.363 2.103 -6.930 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.884 1.270 -7.177 1.00 25.00 H new ATOM 0 HG2 GLN A 679 2.055 0.634 -5.022 1.00 25.00 H new ATOM 0 HG3 GLN A 679 3.455 1.657 -4.769 1.00 25.00 H new ATOM 0 HE21 GLN A 679 2.899 2.509 -2.764 1.00 25.00 H new ATOM 0 HE22 GLN A 679 1.429 3.447 -2.482 1.00 25.00 H new ATOM 1346 N GLY A 680 3.486 3.518 -9.311 1.00 25.00 N ATOM 1347 CA GLY A 680 4.260 3.329 -10.527 1.00 25.00 C ATOM 1348 C GLY A 680 3.477 3.713 -11.771 1.00 25.00 C ATOM 1349 O GLY A 680 2.548 4.523 -11.690 1.00 25.00 O ATOM 0 H GLY A 680 2.552 3.902 -9.457 1.00 25.00 H new ATOM 0 HA2 GLY A 680 5.170 3.927 -10.473 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.568 2.286 -10.601 1.00 25.00 H new ATOM 1353 N LYS A 681 3.840 3.157 -12.921 1.00 25.00 N ATOM 1354 CA LYS A 681 3.207 3.531 -14.193 1.00 25.00 C ATOM 1355 C LYS A 681 2.691 2.378 -15.017 1.00 25.00 C ATOM 1356 O LYS A 681 3.048 1.233 -14.819 1.00 25.00 O ATOM 1357 CB LYS A 681 4.170 4.351 -15.042 1.00 25.00 C ATOM 1358 CG LYS A 681 4.118 5.799 -14.665 1.00 25.00 C ATOM 1359 CD LYS A 681 4.564 6.702 -15.779 1.00 25.00 C ATOM 1360 CE LYS A 681 6.054 6.871 -15.802 1.00 25.00 C ATOM 1361 NZ LYS A 681 6.513 7.716 -14.634 1.00 25.00 N ATOM 0 H LYS A 681 4.567 2.447 -13.005 1.00 25.00 H new ATOM 0 HA LYS A 681 2.333 4.114 -13.904 1.00 25.00 H new ATOM 0 HB2 LYS A 681 5.185 3.974 -14.914 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.919 4.237 -16.096 1.00 25.00 H new ATOM 0 HG2 LYS A 681 3.099 6.059 -14.377 1.00 25.00 H new ATOM 0 HG3 LYS A 681 4.749 5.966 -13.792 1.00 25.00 H new ATOM 0 HD2 LYS A 681 4.231 6.293 -16.733 1.00 25.00 H new ATOM 0 HD3 LYS A 681 4.090 7.677 -15.667 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.537 5.894 -15.763 1.00 25.00 H new ATOM 0 HE3 LYS A 681 6.358 7.340 -16.738 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 7.300 8.326 -14.935 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 5.724 8.307 -14.302 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 6.831 7.097 -13.861 1.00 25.00 H new ATOM 1375 N SER A 682 1.823 2.718 -15.952 1.00 25.00 N ATOM 1376 CA SER A 682 1.174 1.726 -16.793 1.00 25.00 C ATOM 1377 C SER A 682 1.997 1.436 -18.027 1.00 25.00 C ATOM 1378 O SER A 682 2.891 2.205 -18.389 1.00 25.00 O ATOM 1379 CB SER A 682 -0.198 2.234 -17.237 1.00 25.00 C ATOM 1380 OG SER A 682 -0.088 3.091 -18.365 1.00 25.00 O ATOM 0 H SER A 682 1.549 3.680 -16.150 1.00 25.00 H new ATOM 0 HA SER A 682 1.070 0.813 -16.207 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.840 1.388 -17.481 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.674 2.769 -16.415 1.00 25.00 H new ATOM 0 HG SER A 682 0.065 2.554 -19.170 1.00 25.00 H new ATOM 1386 N LYS A 683 1.676 0.343 -18.704 1.00 25.00 N ATOM 1387 CA LYS A 683 2.320 0.052 -19.983 1.00 25.00 C ATOM 1388 C LYS A 683 1.785 1.105 -20.940 1.00 25.00 C ATOM 1389 O LYS A 683 0.625 1.488 -20.838 1.00 25.00 O ATOM 1390 CB LYS A 683 1.936 -1.330 -20.504 1.00 25.00 C ATOM 1391 CG LYS A 683 2.877 -1.862 -21.593 1.00 25.00 C ATOM 1392 CD LYS A 683 2.231 -2.974 -22.421 1.00 25.00 C ATOM 1393 CE LYS A 683 1.215 -2.390 -23.409 1.00 25.00 C ATOM 1394 NZ LYS A 683 0.590 -3.430 -24.294 1.00 25.00 N ATOM 0 H LYS A 683 0.988 -0.346 -18.400 1.00 25.00 H new ATOM 0 HA LYS A 683 3.405 0.066 -19.884 1.00 25.00 H new ATOM 0 HB2 LYS A 683 1.925 -2.033 -19.671 1.00 25.00 H new ATOM 0 HB3 LYS A 683 0.921 -1.290 -20.901 1.00 25.00 H new ATOM 0 HG2 LYS A 683 3.168 -1.043 -22.251 1.00 25.00 H new ATOM 0 HG3 LYS A 683 3.789 -2.239 -21.130 1.00 25.00 H new ATOM 0 HD2 LYS A 683 3.000 -3.524 -22.964 1.00 25.00 H new ATOM 0 HD3 LYS A 683 1.736 -3.686 -21.760 1.00 25.00 H new ATOM 0 HE2 LYS A 683 0.431 -1.875 -22.853 1.00 25.00 H new ATOM 0 HE3 LYS A 683 1.709 -1.642 -24.030 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 -0.087 -2.975 -24.939 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 1.331 -3.905 -24.848 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 0.093 -4.131 -23.708 1.00 25.00 H new ATOM 1408 N ALA A 684 2.607 1.562 -21.865 1.00 25.00 N ATOM 1409 CA ALA A 684 2.169 2.541 -22.850 1.00 25.00 C ATOM 1410 C ALA A 684 1.236 1.914 -23.880 1.00 25.00 C ATOM 1411 O ALA A 684 1.330 0.720 -24.178 1.00 25.00 O ATOM 1412 CB ALA A 684 3.391 3.127 -23.551 1.00 25.00 C ATOM 0 H ALA A 684 3.581 1.274 -21.958 1.00 25.00 H new ATOM 0 HA ALA A 684 1.618 3.328 -22.334 1.00 25.00 H new ATOM 0 HB1 ALA A 684 3.069 3.861 -24.290 1.00 25.00 H new ATOM 0 HB2 ALA A 684 4.035 3.610 -22.816 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.943 2.329 -24.048 1.00 25.00 H new ATOM 1418 N ALA A 685 0.369 2.741 -24.440 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.482 2.350 -25.550 1.00 25.00 C ATOM 1420 C ALA A 685 -0.370 3.515 -26.522 1.00 25.00 C ATOM 1421 O ALA A 685 -0.183 4.656 -26.088 1.00 25.00 O ATOM 1422 CB ALA A 685 -1.929 2.142 -25.096 1.00 25.00 C ATOM 0 H ALA A 685 0.236 3.706 -24.136 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.181 1.402 -25.995 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -2.540 1.850 -25.950 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -1.964 1.358 -24.340 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.315 3.070 -24.674 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.452 3.230 -27.811 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.329 4.256 -28.834 1.00 25.00 C ATOM 1430 C HIS A 686 -1.248 3.995 -30.012 1.00 25.00 C ATOM 1431 O HIS A 686 -1.538 2.841 -30.329 1.00 25.00 O ATOM 1432 CB HIS A 686 1.114 4.349 -29.313 1.00 25.00 C ATOM 1433 CG HIS A 686 1.708 3.032 -29.708 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.666 2.508 -30.975 1.00 25.00 N ATOM 1435 CD2 HIS A 686 2.391 2.114 -28.971 1.00 25.00 C ATOM 1436 CE1 HIS A 686 2.294 1.337 -30.962 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.753 1.044 -29.761 1.00 25.00 N ATOM 0 H HIS A 686 -0.604 2.290 -28.176 1.00 25.00 H new ATOM 0 HA HIS A 686 -0.627 5.203 -28.384 1.00 25.00 H new ATOM 0 HB2 HIS A 686 1.161 5.028 -30.165 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.722 4.788 -28.522 1.00 25.00 H new ATOM 0 HD2 HIS A 686 2.617 2.210 -27.919 1.00 25.00 H new ATOM 0 HE1 HIS A 686 2.414 0.703 -31.828 1.00 25.00 H new ATOM 0 HE2 HIS A 686 3.264 0.208 -29.478 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.706 5.062 -30.655 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.571 4.938 -31.825 1.00 25.00 C ATOM 1447 C PHE A 687 -2.234 6.038 -32.839 1.00 25.00 C ATOM 1448 O PHE A 687 -1.657 7.066 -32.475 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.055 4.944 -31.412 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.677 6.306 -31.326 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.515 7.101 -30.175 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.457 6.793 -32.388 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.143 8.367 -30.083 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.074 8.052 -32.309 1.00 25.00 C ATOM 1455 CZ PHE A 687 -5.922 8.841 -31.152 1.00 25.00 C ATOM 0 H PHE A 687 -1.494 6.023 -30.387 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.391 3.979 -32.311 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.620 4.346 -32.128 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.150 4.454 -30.443 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -3.908 6.743 -29.357 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.584 6.192 -33.276 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.023 8.967 -29.193 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.666 8.416 -33.136 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.402 9.806 -31.087 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.572 5.794 -34.101 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.270 6.703 -35.217 1.00 25.00 C ATOM 1467 C VAL A 688 -3.586 6.936 -35.951 1.00 25.00 C ATOM 1468 O VAL A 688 -4.382 6.003 -36.077 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.219 6.050 -36.189 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.935 6.940 -37.417 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.099 5.773 -35.443 1.00 25.00 C ATOM 0 H VAL A 688 -3.070 4.951 -34.388 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.844 7.639 -34.855 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.649 5.113 -36.543 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.204 6.450 -38.060 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.859 7.099 -37.973 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.541 7.901 -37.087 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.817 5.321 -36.128 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.504 6.710 -35.059 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.089 5.092 -34.613 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.834 8.155 -36.421 1.00 25.00 N ATOM 1482 CA PHE A 689 -5.099 8.471 -37.091 1.00 25.00 C ATOM 1483 C PHE A 689 -4.960 9.606 -38.118 1.00 25.00 C ATOM 1484 O PHE A 689 -4.015 10.385 -38.063 1.00 25.00 O ATOM 1485 CB PHE A 689 -6.124 8.865 -36.015 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.499 9.158 -36.554 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.915 10.488 -36.771 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.385 8.110 -36.857 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -9.200 10.772 -37.273 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.673 8.383 -37.374 1.00 25.00 C ATOM 1491 CZ PHE A 689 -10.081 9.719 -37.578 1.00 25.00 C ATOM 0 H PHE A 689 -3.183 8.938 -36.353 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.423 7.589 -37.644 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -6.196 8.059 -35.285 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.758 9.744 -35.485 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -7.239 11.300 -36.549 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -8.080 7.087 -36.694 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.508 11.796 -37.423 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.343 7.570 -37.612 1.00 25.00 H new ATOM 0 HZ PHE A 689 -11.066 9.932 -37.967 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.926 9.679 -39.033 1.00 25.00 N ATOM 1502 CA ARG A 690 -6.084 10.772 -40.007 1.00 25.00 C ATOM 1503 C ARG A 690 -7.533 10.701 -40.463 1.00 25.00 C ATOM 1504 O ARG A 690 -8.127 9.625 -40.431 1.00 25.00 O ATOM 1505 CB ARG A 690 -5.177 10.660 -41.247 1.00 25.00 C ATOM 1506 CG ARG A 690 -4.444 9.349 -41.464 1.00 25.00 C ATOM 1507 CD ARG A 690 -5.330 8.191 -41.879 1.00 25.00 C ATOM 1508 NE ARG A 690 -4.467 7.040 -42.166 1.00 25.00 N ATOM 1509 CZ ARG A 690 -4.869 5.825 -42.491 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -6.137 5.502 -42.586 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -3.961 4.921 -42.723 1.00 25.00 N ATOM 0 H ARG A 690 -6.644 8.961 -39.124 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.805 11.709 -39.525 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -5.788 10.854 -42.129 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -4.434 11.456 -41.193 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.681 9.497 -42.228 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -3.926 9.081 -40.543 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -6.037 7.949 -41.086 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -5.917 8.456 -42.759 1.00 25.00 H new ATOM 0 HE ARG A 690 -3.460 7.193 -42.109 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -6.857 6.202 -42.406 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -6.403 4.551 -42.840 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -2.972 5.161 -42.651 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -4.238 3.973 -42.976 1.00 25.00 H new ATOM 1525 N THR A 691 -8.080 11.825 -40.890 1.00 25.00 N ATOM 1526 CA THR A 691 -9.453 11.915 -41.386 1.00 25.00 C ATOM 1527 C THR A 691 -9.403 12.831 -42.615 1.00 25.00 C ATOM 1528 O THR A 691 -8.321 13.227 -43.033 1.00 25.00 O ATOM 1529 CB THR A 691 -10.418 12.470 -40.279 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.768 12.465 -40.758 1.00 25.00 O ATOM 1531 CG2 THR A 691 -10.041 13.896 -39.843 1.00 25.00 C ATOM 0 H THR A 691 -7.582 12.715 -40.905 1.00 25.00 H new ATOM 0 HA THR A 691 -9.846 10.934 -41.654 1.00 25.00 H new ATOM 0 HB THR A 691 -10.323 11.816 -39.412 1.00 25.00 H new ATOM 0 HG1 THR A 691 -12.379 12.294 -40.012 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.736 14.238 -39.076 1.00 25.00 H new ATOM 0 HG22 THR A 691 -9.028 13.898 -39.441 1.00 25.00 H new ATOM 0 HG23 THR A 691 -10.091 14.565 -40.702 1.00 25.00 H new ATOM 1539 N HIS A 692 -10.560 13.150 -43.187 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.677 14.068 -44.335 1.00 25.00 C ATOM 1541 C HIS A 692 -9.836 13.675 -45.566 1.00 25.00 C ATOM 1542 O HIS A 692 -9.484 14.515 -46.390 1.00 25.00 O ATOM 1543 CB HIS A 692 -10.316 15.492 -43.881 1.00 25.00 C ATOM 1544 CG HIS A 692 -11.089 16.565 -44.584 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -12.238 17.135 -44.097 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -10.856 17.196 -45.768 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -12.647 18.055 -44.967 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -11.842 18.135 -46.005 1.00 25.00 N ATOM 0 H HIS A 692 -11.456 12.780 -42.870 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.714 14.009 -44.667 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -10.489 15.576 -42.808 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -9.251 15.657 -44.046 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -10.023 16.993 -46.425 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -13.531 18.662 -44.837 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -11.927 18.756 -46.810 1.00 25.00 H new