USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 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 691 THR OG1 : rot 180:sc= -0.0111 USER MOD Set 1.2: A 692 HIS :FLIP no HD1:sc= -0.0729 F(o=-0.84,f=-0.084) USER MOD Set 2.1: A 643 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 646 LYS NZ :NH3+ 175:sc= -0.0642 (180deg=-0.074) USER MOD Set 2.3: A 662 SER OG : rot -56:sc= 0.00664 USER MOD Set 3.1: A 616 SER OG : rot -83:sc= 0.866 USER MOD Set 3.2: A 659 MET CE :methyl -150:sc= 0 (180deg=-0.572) USER MOD Set 4.1: A 634 TYR OH : rot 87:sc= 0.703 USER MOD Set 4.2: A 653 SER OG : rot -40:sc= 0.419 USER MOD Set 5.1: A 629 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 677 ASN : amide:sc= -0.548! C(o=-0.55!,f=-11!) USER MOD Set 6.1: A 620 ASN : amide:sc= -0.665 X(o=0.33,f=0.27) USER MOD Set 6.2: A 623 LYS NZ :NH3+ 166:sc= 0.998 (180deg=0.832) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ 144:sc= -0.0429 (180deg=-1.38) USER MOD Single : A 609 GLN : amide:sc= 0.218 X(o=0.22,f=-0.067) USER MOD Single : A 610 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 615 ASN : amide:sc= 0.614 K(o=0.61,f=-0.51) USER MOD Single : A 618 LYS NZ :NH3+ -124:sc= 0.914 (180deg=-0.447!) USER MOD Single : A 624 GLN :FLIP amide:sc= -0.61 F(o=-1.3,f=-0.61) USER MOD Single : A 633 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.54) USER MOD Single : A 638 TYR OH : rot 17:sc= 1.23 USER MOD Single : A 642 SER OG : rot 74:sc= 0.652 USER MOD Single : A 655 SER OG : rot -160:sc=-0.00107 USER MOD Single : A 657 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 661 LYS NZ :NH3+ 176:sc= 1.13 (180deg=1.12) USER MOD Single : A 666 ASN : amide:sc=-0.00819 X(o=-0.0082,f=-0.11) USER MOD Single : A 669 TYR OH : rot 60:sc= 0.498 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 678 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 679 GLN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 681 LYS NZ :NH3+ 148:sc= 1.24 (180deg=0.971) USER MOD Single : A 682 SER OG : rot 83:sc= 1.11 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 ----------------------------------------------------------------- ATOM 51 N VAL A 598 -0.316 -2.789 -3.467 1.00 25.00 N ATOM 52 CA VAL A 598 -0.870 -2.014 -4.583 1.00 25.00 C ATOM 53 C VAL A 598 -0.004 -2.139 -5.837 1.00 25.00 C ATOM 54 O VAL A 598 1.189 -1.854 -5.822 1.00 25.00 O ATOM 55 CB VAL A 598 -1.080 -0.506 -4.168 1.00 25.00 C ATOM 56 CG1 VAL A 598 -0.037 -0.062 -3.126 1.00 25.00 C ATOM 57 CG2 VAL A 598 -1.054 0.438 -5.392 1.00 25.00 C ATOM 0 HA VAL A 598 -1.847 -2.430 -4.828 1.00 25.00 H new ATOM 0 HB VAL A 598 -2.070 -0.438 -3.716 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -0.209 0.981 -2.861 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -0.127 -0.682 -2.234 1.00 25.00 H new ATOM 0 HG13 VAL A 598 0.964 -0.170 -3.544 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -1.202 1.466 -5.062 1.00 25.00 H new ATOM 0 HG22 VAL A 598 -0.091 0.354 -5.896 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -1.850 0.160 -6.083 1.00 25.00 H new ATOM 67 N ARG A 599 -0.626 -2.584 -6.923 1.00 25.00 N ATOM 68 CA ARG A 599 0.068 -2.757 -8.203 1.00 25.00 C ATOM 69 C ARG A 599 0.007 -1.499 -9.063 1.00 25.00 C ATOM 70 O ARG A 599 -0.784 -0.579 -8.804 1.00 25.00 O ATOM 71 CB ARG A 599 -0.538 -3.939 -8.979 1.00 25.00 C ATOM 72 CG ARG A 599 -1.974 -3.706 -9.456 1.00 25.00 C ATOM 73 CD ARG A 599 -2.496 -4.894 -10.254 1.00 25.00 C ATOM 74 NE ARG A 599 -3.838 -4.621 -10.805 1.00 25.00 N ATOM 75 CZ ARG A 599 -4.818 -5.509 -10.932 1.00 25.00 C ATOM 76 NH1 ARG A 599 -4.682 -6.765 -10.581 1.00 25.00 N ATOM 77 NH2 ARG A 599 -5.961 -5.119 -11.415 1.00 25.00 N ATOM 0 H ARG A 599 -1.615 -2.834 -6.947 1.00 25.00 H new ATOM 0 HA ARG A 599 1.115 -2.958 -7.977 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.090 -4.152 -9.844 1.00 25.00 H new ATOM 0 HB3 ARG A 599 -0.517 -4.825 -8.344 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.621 -3.532 -8.596 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -2.013 -2.807 -10.072 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -1.806 -5.121 -11.067 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -2.535 -5.776 -9.614 1.00 25.00 H new ATOM 0 HE ARG A 599 -4.029 -3.668 -11.115 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -3.798 -7.093 -10.193 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -5.461 -7.414 -10.696 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -6.093 -4.145 -11.689 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -6.725 -5.787 -11.520 1.00 25.00 H new ATOM 91 N GLU A 600 0.840 -1.484 -10.087 1.00 25.00 N ATOM 92 CA GLU A 600 0.913 -0.402 -11.066 1.00 25.00 C ATOM 93 C GLU A 600 -0.356 -0.390 -11.937 1.00 25.00 C ATOM 94 O GLU A 600 -1.077 -1.393 -12.012 1.00 25.00 O ATOM 95 CB GLU A 600 2.147 -0.621 -11.962 1.00 25.00 C ATOM 96 CG GLU A 600 3.459 -0.782 -11.197 1.00 25.00 C ATOM 97 CD GLU A 600 3.864 -2.248 -11.038 1.00 25.00 C ATOM 98 OE1 GLU A 600 3.093 -3.028 -10.423 1.00 25.00 O ATOM 99 OE2 GLU A 600 4.943 -2.621 -11.534 1.00 25.00 O ATOM 0 H GLU A 600 1.502 -2.238 -10.270 1.00 25.00 H new ATOM 0 HA GLU A 600 0.993 0.552 -10.545 1.00 25.00 H new ATOM 0 HB2 GLU A 600 1.985 -1.509 -12.573 1.00 25.00 H new ATOM 0 HB3 GLU A 600 2.240 0.223 -12.645 1.00 25.00 H new ATOM 0 HG2 GLU A 600 4.250 -0.244 -11.720 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.361 -0.326 -10.212 1.00 25.00 H new ATOM 106 N PRO A 601 -0.659 0.746 -12.597 1.00 25.00 N ATOM 107 CA PRO A 601 -1.873 0.735 -13.420 1.00 25.00 C ATOM 108 C PRO A 601 -1.765 -0.054 -14.727 1.00 25.00 C ATOM 109 O PRO A 601 -0.683 -0.334 -15.237 1.00 25.00 O ATOM 110 CB PRO A 601 -2.127 2.217 -13.688 1.00 25.00 C ATOM 111 CG PRO A 601 -0.812 2.879 -13.549 1.00 25.00 C ATOM 112 CD PRO A 601 0.028 2.051 -12.638 1.00 25.00 C ATOM 0 HA PRO A 601 -2.684 0.223 -12.901 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.539 2.370 -14.686 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -2.848 2.625 -12.980 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.332 2.980 -14.522 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -0.933 3.885 -13.147 1.00 25.00 H new ATOM 0 HD2 PRO A 601 1.046 1.953 -13.015 1.00 25.00 H new ATOM 0 HD3 PRO A 601 0.097 2.496 -11.645 1.00 25.00 H new ATOM 120 N SER A 602 -2.925 -0.394 -15.262 1.00 25.00 N ATOM 121 CA SER A 602 -3.052 -1.150 -16.501 1.00 25.00 C ATOM 122 C SER A 602 -2.957 -0.175 -17.665 1.00 25.00 C ATOM 123 O SER A 602 -3.225 1.014 -17.504 1.00 25.00 O ATOM 124 CB SER A 602 -4.390 -1.889 -16.539 1.00 25.00 C ATOM 125 OG SER A 602 -4.472 -2.738 -17.674 1.00 25.00 O ATOM 0 H SER A 602 -3.822 -0.149 -14.842 1.00 25.00 H new ATOM 0 HA SER A 602 -2.256 -1.892 -16.567 1.00 25.00 H new ATOM 0 HB2 SER A 602 -4.509 -2.479 -15.630 1.00 25.00 H new ATOM 0 HB3 SER A 602 -5.207 -1.168 -16.560 1.00 25.00 H new ATOM 0 HG SER A 602 -5.336 -3.201 -17.675 1.00 25.00 H new ATOM 131 N ALA A 603 -2.556 -0.669 -18.828 1.00 25.00 N ATOM 132 CA ALA A 603 -2.447 0.175 -20.013 1.00 25.00 C ATOM 133 C ALA A 603 -3.796 0.887 -20.242 1.00 25.00 C ATOM 134 O ALA A 603 -4.865 0.312 -19.981 1.00 25.00 O ATOM 135 CB ALA A 603 -2.066 -0.678 -21.238 1.00 25.00 C ATOM 0 H ALA A 603 -2.301 -1.645 -18.978 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.666 0.921 -19.867 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -1.987 -0.038 -22.117 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -1.108 -1.166 -21.058 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.832 -1.434 -21.407 1.00 25.00 H new ATOM 141 N PRO A 604 -3.766 2.145 -20.714 1.00 25.00 N ATOM 142 CA PRO A 604 -5.039 2.851 -20.884 1.00 25.00 C ATOM 143 C PRO A 604 -5.922 2.282 -21.980 1.00 25.00 C ATOM 144 O PRO A 604 -5.456 1.658 -22.931 1.00 25.00 O ATOM 145 CB PRO A 604 -4.594 4.279 -21.209 1.00 25.00 C ATOM 146 CG PRO A 604 -3.297 4.109 -21.839 1.00 25.00 C ATOM 147 CD PRO A 604 -2.631 3.000 -21.101 1.00 25.00 C ATOM 0 HA PRO A 604 -5.666 2.768 -19.996 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.300 4.775 -21.876 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.523 4.890 -20.309 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.404 3.866 -22.896 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.710 5.026 -21.780 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -1.917 2.467 -21.729 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -2.082 3.363 -20.232 1.00 25.00 H new ATOM 155 N LYS A 605 -7.215 2.505 -21.812 1.00 25.00 N ATOM 156 CA LYS A 605 -8.225 2.028 -22.748 1.00 25.00 C ATOM 157 C LYS A 605 -8.159 2.964 -23.949 1.00 25.00 C ATOM 158 O LYS A 605 -7.891 4.146 -23.777 1.00 25.00 O ATOM 159 CB LYS A 605 -9.616 2.077 -22.090 1.00 25.00 C ATOM 160 CG LYS A 605 -9.859 1.001 -20.987 1.00 25.00 C ATOM 161 CD LYS A 605 -9.223 1.331 -19.604 1.00 25.00 C ATOM 162 CE LYS A 605 -8.090 0.339 -19.270 1.00 25.00 C ATOM 163 NZ LYS A 605 -7.408 0.590 -17.941 1.00 25.00 N ATOM 0 H LYS A 605 -7.597 3.023 -21.021 1.00 25.00 H new ATOM 0 HA LYS A 605 -8.048 0.995 -23.047 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.760 3.065 -21.652 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.373 1.959 -22.865 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -10.933 0.871 -20.856 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.463 0.047 -21.336 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -8.831 2.348 -19.613 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -9.988 1.291 -18.828 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -8.497 -0.672 -19.270 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -7.342 0.381 -20.062 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -7.154 -0.319 -17.504 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -6.547 1.153 -18.093 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -8.054 1.108 -17.312 1.00 25.00 H new ATOM 177 N LEU A 606 -8.384 2.458 -25.151 1.00 25.00 N ATOM 178 CA LEU A 606 -8.305 3.289 -26.349 1.00 25.00 C ATOM 179 C LEU A 606 -9.383 2.859 -27.325 1.00 25.00 C ATOM 180 O LEU A 606 -9.360 1.749 -27.829 1.00 25.00 O ATOM 181 CB LEU A 606 -6.910 3.166 -26.994 1.00 25.00 C ATOM 182 CG LEU A 606 -6.564 4.053 -28.214 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.023 3.444 -29.540 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.142 5.461 -28.066 1.00 25.00 C ATOM 0 H LEU A 606 -8.622 1.482 -25.326 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.462 4.333 -26.079 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.171 3.370 -26.219 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.778 2.127 -27.295 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.476 4.114 -28.236 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -6.753 4.110 -30.359 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.539 2.478 -29.684 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.104 3.309 -29.523 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -6.879 6.056 -28.941 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.227 5.402 -27.980 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.732 5.930 -27.172 1.00 25.00 H new ATOM 196 N GLU A 607 -10.322 3.761 -27.590 1.00 25.00 N ATOM 197 CA GLU A 607 -11.435 3.455 -28.497 1.00 25.00 C ATOM 198 C GLU A 607 -11.345 4.236 -29.817 1.00 25.00 C ATOM 199 O GLU A 607 -12.152 4.036 -30.712 1.00 25.00 O ATOM 200 CB GLU A 607 -12.774 3.741 -27.808 1.00 25.00 C ATOM 201 CG GLU A 607 -12.845 3.290 -26.340 1.00 25.00 C ATOM 202 CD GLU A 607 -12.389 1.858 -26.103 1.00 25.00 C ATOM 203 OE1 GLU A 607 -12.926 0.934 -26.740 1.00 25.00 O ATOM 204 OE2 GLU A 607 -11.482 1.671 -25.253 1.00 25.00 O ATOM 0 H GLU A 607 -10.340 4.702 -27.197 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.368 2.395 -28.741 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -12.971 4.812 -27.856 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.568 3.245 -28.366 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -12.232 3.959 -25.736 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -13.872 3.395 -25.989 1.00 25.00 H new ATOM 211 N GLY A 608 -10.356 5.122 -29.917 1.00 25.00 N ATOM 212 CA GLY A 608 -10.098 5.865 -31.154 1.00 25.00 C ATOM 213 C GLY A 608 -11.288 6.585 -31.769 1.00 25.00 C ATOM 214 O GLY A 608 -11.545 6.466 -32.963 1.00 25.00 O ATOM 0 H GLY A 608 -9.717 5.345 -29.154 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.319 6.601 -30.955 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.699 5.170 -31.893 1.00 25.00 H new ATOM 218 N GLN A 609 -12.028 7.326 -30.962 1.00 25.00 N ATOM 219 CA GLN A 609 -13.239 7.989 -31.436 1.00 25.00 C ATOM 220 C GLN A 609 -12.880 9.298 -32.107 1.00 25.00 C ATOM 221 O GLN A 609 -12.281 10.162 -31.485 1.00 25.00 O ATOM 222 CB GLN A 609 -14.169 8.248 -30.258 1.00 25.00 C ATOM 223 CG GLN A 609 -14.657 6.958 -29.595 1.00 25.00 C ATOM 224 CD GLN A 609 -15.514 6.132 -30.524 1.00 25.00 C ATOM 225 OE1 GLN A 609 -16.576 6.558 -30.943 1.00 25.00 O ATOM 226 NE2 GLN A 609 -15.055 4.959 -30.855 1.00 25.00 N ATOM 0 H GLN A 609 -11.815 7.486 -29.977 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.743 7.348 -32.159 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.650 8.858 -29.518 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -15.029 8.824 -30.599 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -13.798 6.368 -29.274 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -15.227 7.204 -28.699 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -14.161 4.638 -30.483 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -15.589 4.362 -31.486 1.00 25.00 H new ATOM 235 N MET A 610 -13.239 9.427 -33.378 1.00 25.00 N ATOM 236 CA MET A 610 -12.891 10.598 -34.188 1.00 25.00 C ATOM 237 C MET A 610 -13.401 11.912 -33.597 1.00 25.00 C ATOM 238 O MET A 610 -14.487 11.965 -33.030 1.00 25.00 O ATOM 239 CB MET A 610 -13.472 10.433 -35.594 1.00 25.00 C ATOM 240 CG MET A 610 -13.114 9.108 -36.252 1.00 25.00 C ATOM 241 SD MET A 610 -13.645 9.065 -37.973 1.00 25.00 S ATOM 242 CE MET A 610 -13.340 7.341 -38.398 1.00 25.00 C ATOM 0 H MET A 610 -13.781 8.724 -33.881 1.00 25.00 H new ATOM 0 HA MET A 610 -11.803 10.652 -34.211 1.00 25.00 H new ATOM 0 HB2 MET A 610 -14.557 10.521 -35.542 1.00 25.00 H new ATOM 0 HB3 MET A 610 -13.116 11.249 -36.223 1.00 25.00 H new ATOM 0 HG2 MET A 610 -12.037 8.952 -36.198 1.00 25.00 H new ATOM 0 HG3 MET A 610 -13.582 8.290 -35.705 1.00 25.00 H new ATOM 0 HE1 MET A 610 -13.623 7.167 -39.436 1.00 25.00 H new ATOM 0 HE2 MET A 610 -12.282 7.116 -38.267 1.00 25.00 H new ATOM 0 HE3 MET A 610 -13.931 6.696 -37.748 1.00 25.00 H new ATOM 252 N GLY A 611 -12.613 12.972 -33.743 1.00 25.00 N ATOM 253 CA GLY A 611 -13.005 14.279 -33.238 1.00 25.00 C ATOM 254 C GLY A 611 -13.883 15.020 -34.219 1.00 25.00 C ATOM 255 O GLY A 611 -13.441 15.399 -35.299 1.00 25.00 O ATOM 0 H GLY A 611 -11.704 12.950 -34.205 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.536 14.159 -32.294 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -12.113 14.870 -33.030 1.00 25.00 H new ATOM 259 N GLU A 612 -15.128 15.231 -33.827 1.00 25.00 N ATOM 260 CA GLU A 612 -16.123 15.910 -34.658 1.00 25.00 C ATOM 261 C GLU A 612 -15.789 17.390 -34.843 1.00 25.00 C ATOM 262 O GLU A 612 -16.200 18.010 -35.815 1.00 25.00 O ATOM 263 CB GLU A 612 -17.526 15.754 -34.036 1.00 25.00 C ATOM 264 CG GLU A 612 -17.687 16.284 -32.590 1.00 25.00 C ATOM 265 CD GLU A 612 -17.246 15.274 -31.529 1.00 25.00 C ATOM 266 OE1 GLU A 612 -16.032 15.210 -31.203 1.00 25.00 O ATOM 267 OE2 GLU A 612 -18.104 14.527 -31.019 1.00 25.00 O ATOM 0 H GLU A 612 -15.485 14.936 -32.918 1.00 25.00 H new ATOM 0 HA GLU A 612 -16.110 15.443 -35.643 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -18.244 16.270 -34.673 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -17.792 14.697 -34.047 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -17.104 17.198 -32.477 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -18.731 16.548 -32.420 1.00 25.00 H new ATOM 274 N ASP A 613 -15.031 17.943 -33.908 1.00 25.00 N ATOM 275 CA ASP A 613 -14.625 19.350 -33.965 1.00 25.00 C ATOM 276 C ASP A 613 -13.589 19.589 -35.060 1.00 25.00 C ATOM 277 O ASP A 613 -13.358 20.723 -35.478 1.00 25.00 O ATOM 278 CB ASP A 613 -13.963 19.765 -32.647 1.00 25.00 C ATOM 279 CG ASP A 613 -14.926 19.832 -31.480 1.00 25.00 C ATOM 280 OD1 ASP A 613 -14.418 19.775 -30.333 1.00 25.00 O ATOM 281 OD2 ASP A 613 -16.144 19.956 -31.670 1.00 25.00 O ATOM 0 H ASP A 613 -14.680 17.440 -33.093 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.528 19.927 -34.162 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -13.168 19.058 -32.411 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -13.494 20.740 -32.777 1.00 25.00 H new ATOM 286 N GLY A 614 -12.939 18.517 -35.498 1.00 25.00 N ATOM 287 CA GLY A 614 -11.840 18.636 -36.441 1.00 25.00 C ATOM 288 C GLY A 614 -10.582 19.071 -35.706 1.00 25.00 C ATOM 289 O GLY A 614 -10.669 19.640 -34.611 1.00 25.00 O ATOM 0 H GLY A 614 -13.155 17.561 -35.215 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.670 17.682 -36.940 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -12.089 19.361 -37.216 1.00 25.00 H new ATOM 293 N ASN A 615 -9.410 18.797 -36.282 1.00 25.00 N ATOM 294 CA ASN A 615 -8.113 19.174 -35.678 1.00 25.00 C ATOM 295 C ASN A 615 -8.024 18.625 -34.233 1.00 25.00 C ATOM 296 O ASN A 615 -7.367 19.212 -33.354 1.00 25.00 O ATOM 297 CB ASN A 615 -7.979 20.715 -35.717 1.00 25.00 C ATOM 298 CG ASN A 615 -6.548 21.191 -35.827 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.133 21.691 -36.854 1.00 25.00 O ATOM 300 ND2 ASN A 615 -5.801 21.052 -34.778 1.00 25.00 N ATOM 0 H ASN A 615 -9.324 18.311 -37.175 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.288 18.738 -36.241 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.548 21.100 -36.563 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.425 21.134 -34.815 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -4.831 21.367 -34.797 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.183 20.628 -33.933 1.00 25.00 H new ATOM 307 N SER A 616 -8.721 17.518 -33.991 1.00 25.00 N ATOM 308 CA SER A 616 -8.859 16.956 -32.653 1.00 25.00 C ATOM 309 C SER A 616 -9.324 15.496 -32.670 1.00 25.00 C ATOM 310 O SER A 616 -9.745 14.997 -33.717 1.00 25.00 O ATOM 311 CB SER A 616 -9.905 17.777 -31.918 1.00 25.00 C ATOM 312 OG SER A 616 -11.133 17.751 -32.615 1.00 25.00 O ATOM 0 H SER A 616 -9.204 16.987 -34.716 1.00 25.00 H new ATOM 0 HA SER A 616 -7.883 16.985 -32.169 1.00 25.00 H new ATOM 0 HB2 SER A 616 -10.043 17.383 -30.911 1.00 25.00 H new ATOM 0 HB3 SER A 616 -9.561 18.806 -31.814 1.00 25.00 H new ATOM 0 HG SER A 616 -11.118 18.422 -33.329 1.00 25.00 H new ATOM 318 N ILE A 617 -9.259 14.824 -31.519 1.00 25.00 N ATOM 319 CA ILE A 617 -9.735 13.437 -31.379 1.00 25.00 C ATOM 320 C ILE A 617 -9.984 13.057 -29.906 1.00 25.00 C ATOM 321 O ILE A 617 -9.407 13.662 -29.002 1.00 25.00 O ATOM 322 CB ILE A 617 -8.716 12.447 -32.017 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.380 11.080 -32.227 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.423 12.327 -31.171 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.951 10.343 -33.471 1.00 25.00 C ATOM 0 H ILE A 617 -8.878 15.219 -30.659 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.687 13.368 -31.905 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.416 12.842 -32.988 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -9.167 10.453 -31.361 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.460 11.220 -32.261 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.738 11.627 -31.650 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -6.947 13.305 -31.093 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.673 11.965 -30.174 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.476 9.390 -33.528 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -9.190 10.942 -34.350 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.876 10.164 -33.435 1.00 25.00 H new ATOM 337 N LYS A 618 -10.826 12.052 -29.665 1.00 25.00 N ATOM 338 CA LYS A 618 -11.130 11.586 -28.306 1.00 25.00 C ATOM 339 C LYS A 618 -10.515 10.209 -28.073 1.00 25.00 C ATOM 340 O LYS A 618 -10.919 9.219 -28.685 1.00 25.00 O ATOM 341 CB LYS A 618 -12.648 11.496 -28.075 1.00 25.00 C ATOM 342 CG LYS A 618 -13.423 12.752 -28.451 1.00 25.00 C ATOM 343 CD LYS A 618 -14.060 12.606 -29.838 1.00 25.00 C ATOM 344 CE LYS A 618 -15.492 12.068 -29.789 1.00 25.00 C ATOM 345 NZ LYS A 618 -16.462 13.086 -29.280 1.00 25.00 N ATOM 0 H LYS A 618 -11.315 11.539 -30.399 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.707 12.308 -27.607 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -13.040 10.657 -28.650 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -12.830 11.274 -27.023 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -14.198 12.942 -27.708 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -12.755 13.613 -28.442 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -14.060 13.576 -30.335 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -13.448 11.938 -30.444 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -15.793 11.750 -30.787 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -15.525 11.186 -29.150 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -16.972 12.700 -28.460 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.948 13.944 -28.996 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -17.142 13.323 -30.030 1.00 25.00 H new ATOM 359 N VAL A 619 -9.545 10.142 -27.179 1.00 25.00 N ATOM 360 CA VAL A 619 -8.903 8.872 -26.825 1.00 25.00 C ATOM 361 C VAL A 619 -9.400 8.589 -25.412 1.00 25.00 C ATOM 362 O VAL A 619 -9.565 9.518 -24.629 1.00 25.00 O ATOM 363 CB VAL A 619 -7.330 8.945 -26.953 1.00 25.00 C ATOM 364 CG1 VAL A 619 -6.856 10.375 -27.287 1.00 25.00 C ATOM 365 CG2 VAL A 619 -6.620 8.424 -25.694 1.00 25.00 C ATOM 0 H VAL A 619 -9.178 10.951 -26.679 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.163 8.058 -27.502 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.056 8.290 -27.780 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -5.769 10.388 -27.368 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.294 10.692 -28.233 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.170 11.056 -26.496 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.541 8.494 -25.830 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -6.917 9.024 -24.834 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -6.897 7.384 -25.524 1.00 25.00 H new ATOM 375 N ASN A 620 -9.679 7.334 -25.088 1.00 25.00 N ATOM 376 CA ASN A 620 -10.243 7.013 -23.776 1.00 25.00 C ATOM 377 C ASN A 620 -9.203 7.094 -22.676 1.00 25.00 C ATOM 378 O ASN A 620 -8.006 6.949 -22.907 1.00 25.00 O ATOM 379 CB ASN A 620 -10.899 5.635 -23.767 1.00 25.00 C ATOM 380 CG ASN A 620 -12.399 5.724 -23.787 1.00 25.00 C ATOM 381 OD1 ASN A 620 -13.075 5.302 -22.859 1.00 25.00 O ATOM 382 ND2 ASN A 620 -12.930 6.288 -24.842 1.00 25.00 N ATOM 0 H ASN A 620 -9.529 6.532 -25.700 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.008 7.764 -23.579 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.558 5.066 -24.632 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -10.580 5.088 -22.880 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -13.943 6.388 -24.911 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.331 6.627 -25.595 1.00 25.00 H new ATOM 389 N LEU A 621 -9.686 7.349 -21.475 1.00 25.00 N ATOM 390 CA LEU A 621 -8.848 7.469 -20.305 1.00 25.00 C ATOM 391 C LEU A 621 -9.331 6.520 -19.218 1.00 25.00 C ATOM 392 O LEU A 621 -10.501 6.170 -19.160 1.00 25.00 O ATOM 393 CB LEU A 621 -8.839 8.907 -19.813 1.00 25.00 C ATOM 394 CG LEU A 621 -7.561 9.289 -19.063 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.426 9.632 -20.035 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.866 10.468 -18.185 1.00 25.00 C ATOM 0 H LEU A 621 -10.680 7.479 -21.286 1.00 25.00 H new ATOM 0 HA LEU A 621 -7.826 7.195 -20.566 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -8.964 9.575 -20.665 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.696 9.063 -19.158 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.229 8.443 -18.462 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.532 9.899 -19.471 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.213 8.768 -20.665 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.725 10.473 -20.661 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.968 10.758 -17.640 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -8.202 11.303 -18.800 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.650 10.201 -17.476 1.00 25.00 H new ATOM 408 N ILE A 622 -8.417 6.099 -18.366 1.00 25.00 N ATOM 409 CA ILE A 622 -8.751 5.278 -17.210 1.00 25.00 C ATOM 410 C ILE A 622 -9.653 6.114 -16.280 1.00 25.00 C ATOM 411 O ILE A 622 -9.313 7.235 -15.916 1.00 25.00 O ATOM 412 CB ILE A 622 -7.445 4.892 -16.487 1.00 25.00 C ATOM 413 CG1 ILE A 622 -6.662 3.875 -17.315 1.00 25.00 C ATOM 414 CG2 ILE A 622 -7.675 4.319 -15.109 1.00 25.00 C ATOM 415 CD1 ILE A 622 -5.237 4.228 -17.497 1.00 25.00 C ATOM 0 H ILE A 622 -7.424 6.314 -18.452 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.273 4.368 -17.506 1.00 25.00 H new ATOM 0 HB ILE A 622 -6.879 5.816 -16.373 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -6.727 2.900 -16.833 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.131 3.778 -18.294 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -6.717 4.068 -14.655 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.189 5.055 -14.490 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.286 3.420 -15.186 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -4.745 3.460 -18.095 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -5.162 5.188 -18.007 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -4.752 4.296 -16.523 1.00 25.00 H new ATOM 427 N LYS A 623 -10.811 5.564 -15.923 1.00 25.00 N ATOM 428 CA LYS A 623 -11.783 6.259 -15.066 1.00 25.00 C ATOM 429 C LYS A 623 -12.115 5.493 -13.787 1.00 25.00 C ATOM 430 O LYS A 623 -13.079 5.796 -13.099 1.00 25.00 O ATOM 431 CB LYS A 623 -13.063 6.615 -15.852 1.00 25.00 C ATOM 432 CG LYS A 623 -13.817 5.438 -16.516 1.00 25.00 C ATOM 433 CD LYS A 623 -13.254 5.101 -17.908 1.00 25.00 C ATOM 434 CE LYS A 623 -14.253 4.340 -18.757 1.00 25.00 C ATOM 435 NZ LYS A 623 -14.552 5.115 -20.015 1.00 25.00 N ATOM 0 H LYS A 623 -11.106 4.632 -16.214 1.00 25.00 H new ATOM 0 HA LYS A 623 -11.303 7.185 -14.749 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -13.750 7.121 -15.173 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -12.798 7.332 -16.629 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -13.750 4.558 -15.876 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -14.874 5.689 -16.604 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -12.973 6.022 -18.418 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -12.346 4.508 -17.798 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -13.854 3.358 -19.011 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -15.172 4.175 -18.194 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -15.041 4.498 -20.695 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -15.159 5.928 -19.786 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -13.662 5.454 -20.433 1.00 25.00 H new ATOM 449 N GLN A 624 -11.309 4.491 -13.491 1.00 25.00 N ATOM 450 CA GLN A 624 -11.501 3.640 -12.321 1.00 25.00 C ATOM 451 C GLN A 624 -10.109 3.248 -11.849 1.00 25.00 C ATOM 452 O GLN A 624 -9.148 3.430 -12.588 1.00 25.00 O ATOM 453 CB GLN A 624 -12.336 2.395 -12.683 1.00 25.00 C ATOM 454 CG GLN A 624 -11.675 1.413 -13.676 1.00 25.00 C ATOM 455 CD GLN A 624 -11.605 1.942 -15.101 1.00 25.00 C ATOM 456 OE1 GLN A 624 -10.415 2.196 -15.566 1.00 25.00 O flip ATOM 457 NE2 GLN A 624 -12.606 2.113 -15.774 1.00 25.00 N flip ATOM 0 H GLN A 624 -10.497 4.239 -14.055 1.00 25.00 H new ATOM 0 HA GLN A 624 -12.048 4.161 -11.535 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -12.567 1.855 -11.765 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.285 2.726 -13.105 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -10.666 1.186 -13.332 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.232 0.476 -13.672 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -13.525 1.905 -15.383 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -12.525 2.464 -16.728 1.00 25.00 H new ATOM 466 N ASP A 625 -9.981 2.707 -10.652 1.00 25.00 N ATOM 467 CA ASP A 625 -8.681 2.271 -10.159 1.00 25.00 C ATOM 468 C ASP A 625 -8.316 0.940 -10.824 1.00 25.00 C ATOM 469 O ASP A 625 -8.940 -0.086 -10.614 1.00 25.00 O ATOM 470 CB ASP A 625 -8.660 2.168 -8.622 1.00 25.00 C ATOM 471 CG ASP A 625 -9.778 1.293 -8.058 1.00 25.00 C ATOM 472 OD1 ASP A 625 -10.970 1.562 -8.346 1.00 25.00 O ATOM 473 OD2 ASP A 625 -9.457 0.358 -7.301 1.00 25.00 O ATOM 0 H ASP A 625 -10.754 2.558 -10.004 1.00 25.00 H new ATOM 0 HA ASP A 625 -7.931 3.017 -10.423 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -7.698 1.765 -8.305 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -8.742 3.168 -8.197 1.00 25.00 H new ATOM 478 N ASP A 626 -7.285 0.985 -11.654 1.00 25.00 N ATOM 479 CA ASP A 626 -6.820 -0.196 -12.396 1.00 25.00 C ATOM 480 C ASP A 626 -6.094 -1.199 -11.518 1.00 25.00 C ATOM 481 O ASP A 626 -5.772 -2.313 -11.952 1.00 25.00 O ATOM 482 CB ASP A 626 -5.799 0.229 -13.436 1.00 25.00 C ATOM 483 CG ASP A 626 -6.424 0.768 -14.713 1.00 25.00 C ATOM 484 OD1 ASP A 626 -5.629 1.155 -15.580 1.00 25.00 O ATOM 485 OD2 ASP A 626 -7.662 0.789 -14.886 1.00 25.00 O ATOM 0 H ASP A 626 -6.745 1.831 -11.837 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.715 -0.649 -12.823 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -5.151 0.993 -13.007 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -5.166 -0.624 -13.682 1.00 25.00 H new ATOM 490 N GLY A 627 -5.795 -0.804 -10.296 1.00 25.00 N ATOM 491 CA GLY A 627 -5.009 -1.652 -9.425 1.00 25.00 C ATOM 492 C GLY A 627 -5.300 -1.488 -7.961 1.00 25.00 C ATOM 493 O GLY A 627 -6.372 -1.798 -7.494 1.00 25.00 O ATOM 0 H GLY A 627 -6.080 0.087 -9.889 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -5.181 -2.692 -9.701 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -3.952 -1.447 -9.597 1.00 25.00 H new ATOM 497 N GLY A 628 -4.304 -1.014 -7.236 1.00 25.00 N ATOM 498 CA GLY A 628 -4.435 -0.869 -5.790 1.00 25.00 C ATOM 499 C GLY A 628 -4.611 0.559 -5.319 1.00 25.00 C ATOM 500 O GLY A 628 -4.650 0.822 -4.124 1.00 25.00 O ATOM 0 H GLY A 628 -3.403 -0.724 -7.615 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -5.289 -1.458 -5.454 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -3.550 -1.290 -5.313 1.00 25.00 H new ATOM 504 N SER A 629 -4.694 1.490 -6.256 1.00 25.00 N ATOM 505 CA SER A 629 -4.864 2.899 -5.923 1.00 25.00 C ATOM 506 C SER A 629 -5.388 3.609 -7.160 1.00 25.00 C ATOM 507 O SER A 629 -5.174 3.125 -8.284 1.00 25.00 O ATOM 508 CB SER A 629 -3.519 3.534 -5.519 1.00 25.00 C ATOM 509 OG SER A 629 -2.687 3.747 -6.653 1.00 25.00 O ATOM 0 H SER A 629 -4.646 1.297 -7.256 1.00 25.00 H new ATOM 0 HA SER A 629 -5.555 2.993 -5.086 1.00 25.00 H new ATOM 0 HB2 SER A 629 -3.699 4.483 -5.014 1.00 25.00 H new ATOM 0 HB3 SER A 629 -3.008 2.886 -4.807 1.00 25.00 H new ATOM 0 HG SER A 629 -1.842 4.152 -6.367 1.00 25.00 H new ATOM 515 N PRO A 630 -6.047 4.769 -6.990 1.00 25.00 N ATOM 516 CA PRO A 630 -6.412 5.500 -8.204 1.00 25.00 C ATOM 517 C PRO A 630 -5.161 6.070 -8.867 1.00 25.00 C ATOM 518 O PRO A 630 -4.071 6.087 -8.273 1.00 25.00 O ATOM 519 CB PRO A 630 -7.325 6.609 -7.675 1.00 25.00 C ATOM 520 CG PRO A 630 -6.817 6.867 -6.310 1.00 25.00 C ATOM 521 CD PRO A 630 -6.468 5.501 -5.777 1.00 25.00 C ATOM 0 HA PRO A 630 -6.897 4.886 -8.964 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -7.270 7.502 -8.297 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.368 6.294 -7.660 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -5.946 7.522 -6.327 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -7.570 7.355 -5.691 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -5.669 5.548 -5.037 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -7.322 5.026 -5.295 1.00 25.00 H new ATOM 529 N ILE A 631 -5.309 6.523 -10.097 1.00 25.00 N ATOM 530 CA ILE A 631 -4.192 7.080 -10.848 1.00 25.00 C ATOM 531 C ILE A 631 -3.951 8.494 -10.290 1.00 25.00 C ATOM 532 O ILE A 631 -4.896 9.207 -9.977 1.00 25.00 O ATOM 533 CB ILE A 631 -4.513 7.099 -12.388 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.285 5.708 -13.048 1.00 25.00 C ATOM 535 CG2 ILE A 631 -3.609 8.086 -13.118 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.055 4.543 -12.487 1.00 25.00 C ATOM 0 H ILE A 631 -6.195 6.518 -10.603 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.293 6.474 -10.737 1.00 25.00 H new ATOM 0 HB ILE A 631 -5.561 7.386 -12.472 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -4.527 5.794 -14.107 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.223 5.473 -12.982 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -3.849 8.082 -14.181 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -3.763 9.087 -12.715 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -2.567 7.796 -12.980 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.800 3.639 -13.040 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -4.799 4.410 -11.436 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.124 4.735 -12.579 1.00 25.00 H new ATOM 548 N ARG A 632 -2.691 8.895 -10.154 1.00 25.00 N ATOM 549 CA ARG A 632 -2.365 10.229 -9.653 1.00 25.00 C ATOM 550 C ARG A 632 -2.473 11.202 -10.823 1.00 25.00 C ATOM 551 O ARG A 632 -3.213 12.180 -10.754 1.00 25.00 O ATOM 552 CB ARG A 632 -0.937 10.288 -9.077 1.00 25.00 C ATOM 553 CG ARG A 632 -0.814 10.011 -7.554 1.00 25.00 C ATOM 554 CD ARG A 632 0.619 10.275 -7.001 1.00 25.00 C ATOM 555 NE ARG A 632 1.442 11.212 -7.794 1.00 25.00 N ATOM 556 CZ ARG A 632 2.342 10.868 -8.714 1.00 25.00 C ATOM 557 NH1 ARG A 632 2.583 9.629 -9.051 1.00 25.00 N ATOM 558 NH2 ARG A 632 3.015 11.795 -9.323 1.00 25.00 N ATOM 0 H ARG A 632 -1.881 8.319 -10.382 1.00 25.00 H new ATOM 0 HA ARG A 632 -3.056 10.487 -8.850 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -0.320 9.565 -9.610 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -0.522 11.275 -9.283 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -1.526 10.638 -7.018 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -1.089 8.975 -7.355 1.00 25.00 H new ATOM 0 HD2 ARG A 632 0.533 10.663 -5.986 1.00 25.00 H new ATOM 0 HD3 ARG A 632 1.145 9.323 -6.934 1.00 25.00 H new ATOM 0 HE ARG A 632 1.309 12.209 -7.622 1.00 25.00 H new ATOM 0 HH11 ARG A 632 2.070 8.870 -8.603 1.00 25.00 H new ATOM 0 HH12 ARG A 632 3.284 9.421 -9.763 1.00 25.00 H new ATOM 0 HH21 ARG A 632 2.853 12.776 -9.096 1.00 25.00 H new ATOM 0 HH22 ARG A 632 3.707 11.543 -10.029 1.00 25.00 H new ATOM 572 N HIS A 633 -1.737 10.924 -11.894 1.00 25.00 N ATOM 573 CA HIS A 633 -1.727 11.784 -13.083 1.00 25.00 C ATOM 574 C HIS A 633 -1.633 10.940 -14.350 1.00 25.00 C ATOM 575 O HIS A 633 -1.284 9.765 -14.297 1.00 25.00 O ATOM 576 CB HIS A 633 -0.512 12.727 -13.068 1.00 25.00 C ATOM 577 CG HIS A 633 -0.250 13.369 -11.742 1.00 25.00 C ATOM 578 ND1 HIS A 633 -1.117 14.209 -11.091 1.00 25.00 N ATOM 579 CD2 HIS A 633 0.829 13.280 -10.925 1.00 25.00 C ATOM 580 CE1 HIS A 633 -0.557 14.579 -9.941 1.00 25.00 C ATOM 581 NE2 HIS A 633 0.632 14.034 -9.784 1.00 25.00 N ATOM 0 H HIS A 633 -1.134 10.105 -11.967 1.00 25.00 H new ATOM 0 HA HIS A 633 -2.652 12.360 -13.071 1.00 25.00 H new ATOM 0 HB2 HIS A 633 0.373 12.166 -13.369 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -0.663 13.508 -13.814 1.00 25.00 H new ATOM 0 HD2 HIS A 633 1.716 12.702 -11.136 1.00 25.00 H new ATOM 0 HE1 HIS A 633 -1.020 15.243 -9.226 1.00 25.00 H new ATOM 0 HE2 HIS A 633 1.268 14.144 -8.994 1.00 25.00 H new ATOM 589 N TYR A 634 -1.912 11.552 -15.488 1.00 25.00 N ATOM 590 CA TYR A 634 -1.774 10.888 -16.780 1.00 25.00 C ATOM 591 C TYR A 634 -0.785 11.684 -17.563 1.00 25.00 C ATOM 592 O TYR A 634 -0.696 12.893 -17.391 1.00 25.00 O ATOM 593 CB TYR A 634 -3.090 10.861 -17.539 1.00 25.00 C ATOM 594 CG TYR A 634 -4.090 9.992 -16.859 1.00 25.00 C ATOM 595 CD1 TYR A 634 -5.006 10.536 -15.952 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.124 8.611 -17.104 1.00 25.00 C ATOM 597 CE1 TYR A 634 -5.926 9.723 -15.287 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.046 7.793 -16.434 1.00 25.00 C ATOM 599 CZ TYR A 634 -5.940 8.360 -15.524 1.00 25.00 C ATOM 600 OH TYR A 634 -6.822 7.573 -14.851 1.00 25.00 O ATOM 0 H TYR A 634 -2.239 12.517 -15.547 1.00 25.00 H new ATOM 0 HA TYR A 634 -1.457 9.855 -16.632 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -3.484 11.874 -17.624 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -2.920 10.499 -18.553 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -5.001 11.599 -15.764 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -3.436 8.175 -17.813 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -6.626 10.158 -14.589 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.064 6.730 -16.621 1.00 25.00 H new ATOM 0 HH TYR A 634 -7.675 7.553 -15.332 1.00 25.00 H new ATOM 610 N LEU A 635 -0.047 11.010 -18.426 1.00 25.00 N ATOM 611 CA LEU A 635 0.918 11.688 -19.260 1.00 25.00 C ATOM 612 C LEU A 635 0.612 11.294 -20.700 1.00 25.00 C ATOM 613 O LEU A 635 0.926 10.183 -21.133 1.00 25.00 O ATOM 614 CB LEU A 635 2.355 11.293 -18.857 1.00 25.00 C ATOM 615 CG LEU A 635 2.796 11.500 -17.382 1.00 25.00 C ATOM 616 CD1 LEU A 635 2.448 10.294 -16.451 1.00 25.00 C ATOM 617 CD2 LEU A 635 4.310 11.707 -17.347 1.00 25.00 C ATOM 0 H LEU A 635 -0.099 10.001 -18.565 1.00 25.00 H new ATOM 0 HA LEU A 635 0.850 12.770 -19.143 1.00 25.00 H new ATOM 0 HB2 LEU A 635 2.488 10.238 -19.098 1.00 25.00 H new ATOM 0 HB3 LEU A 635 3.043 11.854 -19.490 1.00 25.00 H new ATOM 0 HG LEU A 635 2.251 12.367 -17.009 1.00 25.00 H new ATOM 0 HD11 LEU A 635 2.785 10.508 -15.437 1.00 25.00 H new ATOM 0 HD12 LEU A 635 1.370 10.135 -16.449 1.00 25.00 H new ATOM 0 HD13 LEU A 635 2.946 9.396 -16.817 1.00 25.00 H new ATOM 0 HD21 LEU A 635 4.633 11.854 -16.316 1.00 25.00 H new ATOM 0 HD22 LEU A 635 4.807 10.830 -17.762 1.00 25.00 H new ATOM 0 HD23 LEU A 635 4.571 12.585 -17.938 1.00 25.00 H new ATOM 629 N VAL A 636 -0.008 12.204 -21.439 1.00 25.00 N ATOM 630 CA VAL A 636 -0.285 11.981 -22.859 1.00 25.00 C ATOM 631 C VAL A 636 0.782 12.724 -23.658 1.00 25.00 C ATOM 632 O VAL A 636 1.070 13.883 -23.370 1.00 25.00 O ATOM 633 CB VAL A 636 -1.682 12.512 -23.269 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.014 12.078 -24.703 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.773 12.009 -22.295 1.00 25.00 C ATOM 0 H VAL A 636 -0.330 13.104 -21.083 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.271 10.909 -23.058 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.659 13.601 -23.223 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -2.998 12.457 -24.979 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.266 12.478 -25.387 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.015 10.990 -24.763 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.744 12.396 -22.605 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -2.796 10.919 -22.306 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.549 12.357 -21.287 1.00 25.00 H new ATOM 645 N ARG A 637 1.367 12.061 -24.647 1.00 25.00 N ATOM 646 CA ARG A 637 2.432 12.640 -25.462 1.00 25.00 C ATOM 647 C ARG A 637 2.122 12.316 -26.916 1.00 25.00 C ATOM 648 O ARG A 637 2.012 11.152 -27.273 1.00 25.00 O ATOM 649 CB ARG A 637 3.767 12.034 -25.016 1.00 25.00 C ATOM 650 CG ARG A 637 4.989 12.617 -25.715 1.00 25.00 C ATOM 651 CD ARG A 637 6.258 12.452 -24.897 1.00 25.00 C ATOM 652 NE ARG A 637 6.198 13.228 -23.645 1.00 25.00 N ATOM 653 CZ ARG A 637 7.174 13.344 -22.753 1.00 25.00 C ATOM 654 NH1 ARG A 637 8.344 12.772 -22.907 1.00 25.00 N ATOM 655 NH2 ARG A 637 6.961 14.054 -21.683 1.00 25.00 N ATOM 0 H ARG A 637 1.118 11.107 -24.908 1.00 25.00 H new ATOM 0 HA ARG A 637 2.498 13.722 -25.347 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.876 12.177 -23.941 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.741 10.959 -25.193 1.00 25.00 H new ATOM 0 HG2 ARG A 637 5.118 12.131 -26.682 1.00 25.00 H new ATOM 0 HG3 ARG A 637 4.821 13.676 -25.911 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.409 11.397 -24.666 1.00 25.00 H new ATOM 0 HD3 ARG A 637 7.116 12.775 -25.486 1.00 25.00 H new ATOM 0 HE ARG A 637 5.327 13.721 -23.446 1.00 25.00 H new ATOM 0 HH11 ARG A 637 8.532 12.211 -23.738 1.00 25.00 H new ATOM 0 HH12 ARG A 637 9.066 12.888 -22.196 1.00 25.00 H new ATOM 0 HH21 ARG A 637 6.058 14.508 -21.543 1.00 25.00 H new ATOM 0 HH22 ARG A 637 7.697 14.157 -20.984 1.00 25.00 H new ATOM 669 N TYR A 638 1.955 13.332 -27.748 1.00 25.00 N ATOM 670 CA TYR A 638 1.571 13.112 -29.145 1.00 25.00 C ATOM 671 C TYR A 638 2.329 14.018 -30.095 1.00 25.00 C ATOM 672 O TYR A 638 2.707 15.123 -29.728 1.00 25.00 O ATOM 673 CB TYR A 638 0.052 13.273 -29.329 1.00 25.00 C ATOM 674 CG TYR A 638 -0.544 14.616 -28.938 1.00 25.00 C ATOM 675 CD1 TYR A 638 -1.049 15.489 -29.926 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.634 15.015 -27.584 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.646 16.728 -29.567 1.00 25.00 C ATOM 678 CE2 TYR A 638 -1.217 16.258 -27.230 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.725 17.095 -28.223 1.00 25.00 C ATOM 680 OH TYR A 638 -2.311 18.282 -27.875 1.00 25.00 O ATOM 0 H TYR A 638 2.077 14.311 -27.489 1.00 25.00 H new ATOM 0 HA TYR A 638 1.842 12.086 -29.394 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.186 13.087 -30.376 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.446 12.497 -28.747 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.981 15.212 -30.968 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.254 14.365 -26.810 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -2.037 17.383 -30.332 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -1.268 16.556 -26.193 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.848 18.614 -28.624 1.00 25.00 H new ATOM 690 N ARG A 639 2.562 13.525 -31.305 1.00 25.00 N ATOM 691 CA ARG A 639 3.369 14.214 -32.319 1.00 25.00 C ATOM 692 C ARG A 639 2.658 14.045 -33.647 1.00 25.00 C ATOM 693 O ARG A 639 1.964 13.059 -33.841 1.00 25.00 O ATOM 694 CB ARG A 639 4.769 13.572 -32.337 1.00 25.00 C ATOM 695 CG ARG A 639 5.640 13.805 -33.565 1.00 25.00 C ATOM 696 CD ARG A 639 5.548 12.631 -34.522 1.00 25.00 C ATOM 697 NE ARG A 639 5.723 13.055 -35.916 1.00 25.00 N ATOM 698 CZ ARG A 639 5.784 12.240 -36.960 1.00 25.00 C ATOM 699 NH1 ARG A 639 5.683 10.938 -36.851 1.00 25.00 N ATOM 700 NH2 ARG A 639 5.951 12.754 -38.146 1.00 25.00 N ATOM 0 H ARG A 639 2.195 12.627 -31.619 1.00 25.00 H new ATOM 0 HA ARG A 639 3.486 15.277 -32.109 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.315 13.933 -31.465 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.646 12.496 -32.212 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.326 14.718 -34.071 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.676 13.950 -33.259 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.309 11.893 -34.267 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.580 12.143 -34.408 1.00 25.00 H new ATOM 0 HE ARG A 639 5.804 14.056 -36.096 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.551 10.512 -35.934 1.00 25.00 H new ATOM 0 HH12 ARG A 639 5.736 10.351 -37.683 1.00 25.00 H new ATOM 0 HH21 ARG A 639 6.032 13.765 -38.257 1.00 25.00 H new ATOM 0 HH22 ARG A 639 6.001 12.146 -38.963 1.00 25.00 H new ATOM 714 N ALA A 640 2.821 15.002 -34.545 1.00 25.00 N ATOM 715 CA ALA A 640 2.162 14.977 -35.845 1.00 25.00 C ATOM 716 C ALA A 640 3.184 15.255 -36.941 1.00 25.00 C ATOM 717 O ALA A 640 4.337 15.556 -36.649 1.00 25.00 O ATOM 718 CB ALA A 640 1.042 16.018 -35.872 1.00 25.00 C ATOM 0 H ALA A 640 3.413 15.819 -34.396 1.00 25.00 H new ATOM 0 HA ALA A 640 1.726 13.993 -36.018 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.550 15.998 -36.845 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.315 15.790 -35.093 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.462 17.009 -35.698 1.00 25.00 H new ATOM 724 N LEU A 641 2.766 15.168 -38.194 1.00 25.00 N ATOM 725 CA LEU A 641 3.659 15.475 -39.311 1.00 25.00 C ATOM 726 C LEU A 641 4.115 16.928 -39.205 1.00 25.00 C ATOM 727 O LEU A 641 5.269 17.247 -39.460 1.00 25.00 O ATOM 728 CB LEU A 641 2.930 15.263 -40.648 1.00 25.00 C ATOM 729 CG LEU A 641 3.388 14.100 -41.548 1.00 25.00 C ATOM 730 CD1 LEU A 641 4.840 14.286 -42.003 1.00 25.00 C ATOM 731 CD2 LEU A 641 3.228 12.747 -40.855 1.00 25.00 C ATOM 0 H LEU A 641 1.823 14.890 -38.466 1.00 25.00 H new ATOM 0 HA LEU A 641 4.523 14.811 -39.271 1.00 25.00 H new ATOM 0 HB2 LEU A 641 1.871 15.120 -40.431 1.00 25.00 H new ATOM 0 HB3 LEU A 641 3.016 16.184 -41.224 1.00 25.00 H new ATOM 0 HG LEU A 641 2.742 14.110 -42.426 1.00 25.00 H new ATOM 0 HD11 LEU A 641 5.133 13.449 -42.636 1.00 25.00 H new ATOM 0 HD12 LEU A 641 4.929 15.215 -42.566 1.00 25.00 H new ATOM 0 HD13 LEU A 641 5.492 14.327 -41.131 1.00 25.00 H new ATOM 0 HD21 LEU A 641 3.562 11.954 -41.524 1.00 25.00 H new ATOM 0 HD22 LEU A 641 3.828 12.731 -39.945 1.00 25.00 H new ATOM 0 HD23 LEU A 641 2.180 12.590 -40.601 1.00 25.00 H new ATOM 743 N SER A 642 3.188 17.792 -38.817 1.00 25.00 N ATOM 744 CA SER A 642 3.443 19.227 -38.683 1.00 25.00 C ATOM 745 C SER A 642 3.682 19.707 -37.248 1.00 25.00 C ATOM 746 O SER A 642 3.747 20.910 -37.006 1.00 25.00 O ATOM 747 CB SER A 642 2.248 19.990 -39.252 1.00 25.00 C ATOM 748 OG SER A 642 1.724 19.320 -40.387 1.00 25.00 O ATOM 0 H SER A 642 2.233 17.521 -38.584 1.00 25.00 H new ATOM 0 HA SER A 642 4.367 19.420 -39.229 1.00 25.00 H new ATOM 0 HB2 SER A 642 1.474 20.086 -38.490 1.00 25.00 H new ATOM 0 HB3 SER A 642 2.552 21.000 -39.527 1.00 25.00 H new ATOM 0 HG SER A 642 1.241 18.518 -40.099 1.00 25.00 H new ATOM 754 N SER A 643 3.787 18.799 -36.284 1.00 25.00 N ATOM 755 CA SER A 643 3.963 19.206 -34.881 1.00 25.00 C ATOM 756 C SER A 643 4.859 18.290 -34.059 1.00 25.00 C ATOM 757 O SER A 643 4.841 17.080 -34.215 1.00 25.00 O ATOM 758 CB SER A 643 2.608 19.270 -34.183 1.00 25.00 C ATOM 759 OG SER A 643 1.798 20.294 -34.729 1.00 25.00 O ATOM 0 H SER A 643 3.755 17.791 -36.436 1.00 25.00 H new ATOM 0 HA SER A 643 4.451 20.179 -34.932 1.00 25.00 H new ATOM 0 HB2 SER A 643 2.100 18.310 -34.281 1.00 25.00 H new ATOM 0 HB3 SER A 643 2.753 19.447 -33.117 1.00 25.00 H new ATOM 0 HG SER A 643 0.935 20.311 -34.264 1.00 25.00 H new ATOM 765 N GLU A 644 5.627 18.896 -33.167 1.00 25.00 N ATOM 766 CA GLU A 644 6.533 18.177 -32.269 1.00 25.00 C ATOM 767 C GLU A 644 5.778 17.386 -31.199 1.00 25.00 C ATOM 768 O GLU A 644 4.557 17.519 -31.057 1.00 25.00 O ATOM 769 CB GLU A 644 7.425 19.190 -31.547 1.00 25.00 C ATOM 770 CG GLU A 644 8.287 20.034 -32.463 1.00 25.00 C ATOM 771 CD GLU A 644 9.093 21.048 -31.676 1.00 25.00 C ATOM 772 OE1 GLU A 644 10.336 20.960 -31.677 1.00 25.00 O ATOM 773 OE2 GLU A 644 8.471 21.931 -31.044 1.00 25.00 O ATOM 0 H GLU A 644 5.643 19.908 -33.041 1.00 25.00 H new ATOM 0 HA GLU A 644 7.111 17.483 -32.878 1.00 25.00 H new ATOM 0 HB2 GLU A 644 6.795 19.851 -30.952 1.00 25.00 H new ATOM 0 HB3 GLU A 644 8.072 18.655 -30.852 1.00 25.00 H new ATOM 0 HG2 GLU A 644 8.960 19.390 -33.028 1.00 25.00 H new ATOM 0 HG3 GLU A 644 7.656 20.550 -33.187 1.00 25.00 H new ATOM 780 N TRP A 645 6.518 16.587 -30.436 1.00 25.00 N ATOM 781 CA TRP A 645 5.951 15.823 -29.326 1.00 25.00 C ATOM 782 C TRP A 645 5.455 16.767 -28.236 1.00 25.00 C ATOM 783 O TRP A 645 6.249 17.345 -27.493 1.00 25.00 O ATOM 784 CB TRP A 645 7.001 14.891 -28.709 1.00 25.00 C ATOM 785 CG TRP A 645 7.325 13.685 -29.543 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.441 13.469 -30.286 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.521 12.499 -29.713 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.408 12.253 -30.902 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.243 11.620 -30.573 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.253 12.098 -29.242 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.741 10.361 -30.957 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.747 10.830 -29.622 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.504 9.974 -30.475 1.00 25.00 C ATOM 0 H TRP A 645 7.520 16.450 -30.567 1.00 25.00 H new ATOM 0 HA TRP A 645 5.125 15.233 -29.722 1.00 25.00 H new ATOM 0 HB2 TRP A 645 7.917 15.457 -28.539 1.00 25.00 H new ATOM 0 HB3 TRP A 645 6.646 14.559 -27.733 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.254 14.174 -30.378 1.00 25.00 H new ATOM 0 HE1 TRP A 645 9.135 11.877 -31.510 1.00 25.00 H new ATOM 0 HE3 TRP A 645 4.676 12.748 -28.601 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 7.308 9.715 -31.611 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 3.780 10.509 -29.263 1.00 25.00 H new ATOM 0 HH2 TRP A 645 5.105 9.008 -30.749 1.00 25.00 H new ATOM 804 N LYS A 646 4.145 16.915 -28.129 1.00 25.00 N ATOM 805 CA LYS A 646 3.553 17.746 -27.084 1.00 25.00 C ATOM 806 C LYS A 646 3.889 17.025 -25.778 1.00 25.00 C ATOM 807 O LYS A 646 3.726 15.810 -25.692 1.00 25.00 O ATOM 808 CB LYS A 646 2.044 17.905 -27.309 1.00 25.00 C ATOM 809 CG LYS A 646 1.681 18.439 -28.720 1.00 25.00 C ATOM 810 CD LYS A 646 2.238 19.848 -29.000 1.00 25.00 C ATOM 811 CE LYS A 646 2.192 20.177 -30.493 1.00 25.00 C ATOM 812 NZ LYS A 646 0.801 20.256 -31.060 1.00 25.00 N ATOM 0 H LYS A 646 3.468 16.472 -28.751 1.00 25.00 H new ATOM 0 HA LYS A 646 3.943 18.764 -27.075 1.00 25.00 H new ATOM 0 HB2 LYS A 646 1.559 16.941 -27.158 1.00 25.00 H new ATOM 0 HB3 LYS A 646 1.642 18.585 -26.558 1.00 25.00 H new ATOM 0 HG2 LYS A 646 2.064 17.749 -29.472 1.00 25.00 H new ATOM 0 HG3 LYS A 646 0.596 18.457 -28.826 1.00 25.00 H new ATOM 0 HD2 LYS A 646 1.660 20.587 -28.445 1.00 25.00 H new ATOM 0 HD3 LYS A 646 3.266 19.913 -28.643 1.00 25.00 H new ATOM 0 HE2 LYS A 646 2.696 21.129 -30.660 1.00 25.00 H new ATOM 0 HE3 LYS A 646 2.753 19.419 -31.039 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 0.848 20.565 -32.052 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 0.352 19.319 -31.010 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 0.241 20.939 -30.511 1.00 25.00 H new ATOM 826 N PRO A 647 4.407 17.749 -24.769 1.00 25.00 N ATOM 827 CA PRO A 647 5.001 17.022 -23.637 1.00 25.00 C ATOM 828 C PRO A 647 4.076 16.246 -22.702 1.00 25.00 C ATOM 829 O PRO A 647 4.334 15.073 -22.434 1.00 25.00 O ATOM 830 CB PRO A 647 5.736 18.131 -22.875 1.00 25.00 C ATOM 831 CG PRO A 647 4.967 19.369 -23.181 1.00 25.00 C ATOM 832 CD PRO A 647 4.568 19.208 -24.624 1.00 25.00 C ATOM 0 HA PRO A 647 5.610 16.207 -24.027 1.00 25.00 H new ATOM 0 HB2 PRO A 647 5.755 17.931 -21.804 1.00 25.00 H new ATOM 0 HB3 PRO A 647 6.772 18.217 -23.202 1.00 25.00 H new ATOM 0 HG2 PRO A 647 4.095 19.466 -22.535 1.00 25.00 H new ATOM 0 HG3 PRO A 647 5.574 20.262 -23.033 1.00 25.00 H new ATOM 0 HD2 PRO A 647 3.643 19.739 -24.848 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.330 19.598 -25.298 1.00 25.00 H new ATOM 840 N GLU A 648 3.033 16.876 -22.185 1.00 25.00 N ATOM 841 CA GLU A 648 2.158 16.223 -21.220 1.00 25.00 C ATOM 842 C GLU A 648 0.798 16.902 -21.209 1.00 25.00 C ATOM 843 O GLU A 648 0.704 18.113 -21.418 1.00 25.00 O ATOM 844 CB GLU A 648 2.785 16.316 -19.820 1.00 25.00 C ATOM 845 CG GLU A 648 2.087 15.475 -18.760 1.00 25.00 C ATOM 846 CD GLU A 648 2.762 15.583 -17.409 1.00 25.00 C ATOM 847 OE1 GLU A 648 3.944 15.186 -17.302 1.00 25.00 O ATOM 848 OE2 GLU A 648 2.117 16.071 -16.456 1.00 25.00 O ATOM 0 H GLU A 648 2.771 17.835 -22.415 1.00 25.00 H new ATOM 0 HA GLU A 648 2.033 15.177 -21.500 1.00 25.00 H new ATOM 0 HB2 GLU A 648 3.829 16.008 -19.882 1.00 25.00 H new ATOM 0 HB3 GLU A 648 2.779 17.358 -19.501 1.00 25.00 H new ATOM 0 HG2 GLU A 648 1.048 15.793 -18.672 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.075 14.432 -19.076 1.00 25.00 H new ATOM 855 N ILE A 649 -0.244 16.126 -20.948 1.00 25.00 N ATOM 856 CA ILE A 649 -1.600 16.642 -20.804 1.00 25.00 C ATOM 857 C ILE A 649 -2.080 16.097 -19.460 1.00 25.00 C ATOM 858 O ILE A 649 -2.125 14.882 -19.262 1.00 25.00 O ATOM 859 CB ILE A 649 -2.546 16.165 -21.957 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.974 16.546 -23.346 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.970 16.750 -21.769 1.00 25.00 C ATOM 862 CD1 ILE A 649 -1.921 18.066 -23.671 1.00 25.00 C ATOM 0 H ILE A 649 -0.173 15.115 -20.829 1.00 25.00 H new ATOM 0 HA ILE A 649 -1.613 17.731 -20.852 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.611 15.078 -21.912 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.964 16.143 -23.423 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -2.573 16.052 -24.111 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -4.614 16.408 -22.579 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -4.378 16.415 -20.815 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -3.920 17.839 -21.780 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -1.503 18.211 -24.667 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -2.928 18.481 -23.636 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -1.294 18.573 -22.938 1.00 25.00 H new ATOM 874 N ARG A 650 -2.428 17.000 -18.549 1.00 25.00 N ATOM 875 CA ARG A 650 -2.886 16.631 -17.198 1.00 25.00 C ATOM 876 C ARG A 650 -4.214 15.965 -17.295 1.00 25.00 C ATOM 877 O ARG A 650 -4.969 16.380 -18.118 1.00 25.00 O ATOM 878 CB ARG A 650 -3.149 17.916 -16.367 1.00 25.00 C ATOM 879 CG ARG A 650 -4.460 18.716 -16.821 1.00 25.00 C ATOM 880 CD ARG A 650 -4.578 20.086 -16.165 1.00 25.00 C ATOM 881 NE ARG A 650 -5.767 20.810 -16.653 1.00 25.00 N ATOM 882 CZ ARG A 650 -5.810 21.585 -17.734 1.00 25.00 C ATOM 883 NH1 ARG A 650 -4.760 21.798 -18.492 1.00 25.00 N ATOM 884 NH2 ARG A 650 -6.935 22.158 -18.059 1.00 25.00 N ATOM 0 H ARG A 650 -2.404 18.006 -18.717 1.00 25.00 H new ATOM 0 HA ARG A 650 -2.127 15.993 -16.746 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -3.245 17.645 -15.315 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -2.285 18.575 -16.449 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -4.448 18.838 -17.904 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -5.343 18.125 -16.577 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -4.638 19.970 -15.083 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -3.682 20.671 -16.374 1.00 25.00 H new ATOM 0 HE ARG A 650 -6.629 20.708 -16.117 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -3.867 21.362 -18.261 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -4.837 22.399 -19.312 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -7.767 22.010 -17.487 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -6.983 22.755 -18.885 1.00 25.00 H new ATOM 898 N LEU A 651 -4.520 14.957 -16.488 1.00 25.00 N ATOM 899 CA LEU A 651 -5.925 14.587 -16.252 1.00 25.00 C ATOM 900 C LEU A 651 -6.142 13.994 -14.853 1.00 25.00 C ATOM 901 O LEU A 651 -5.220 13.392 -14.298 1.00 25.00 O ATOM 902 CB LEU A 651 -6.511 13.711 -17.363 1.00 25.00 C ATOM 903 CG LEU A 651 -7.365 14.411 -18.468 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.948 15.878 -18.142 1.00 25.00 C ATOM 905 CD2 LEU A 651 -6.576 14.467 -19.778 1.00 25.00 C ATOM 0 H LEU A 651 -3.836 14.386 -15.991 1.00 25.00 H new ATOM 0 HA LEU A 651 -6.492 15.518 -16.286 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.685 13.196 -17.854 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -7.131 12.946 -16.895 1.00 25.00 H new ATOM 0 HG LEU A 651 -8.251 13.780 -18.536 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -8.519 16.241 -18.997 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -8.597 15.826 -17.268 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -7.123 16.561 -17.941 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -7.177 14.956 -20.544 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -5.655 15.030 -19.625 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -6.332 13.454 -20.100 1.00 25.00 H new ATOM 917 N PRO A 652 -7.355 14.138 -14.271 1.00 25.00 N ATOM 918 CA PRO A 652 -7.620 13.410 -13.022 1.00 25.00 C ATOM 919 C PRO A 652 -8.019 11.961 -13.307 1.00 25.00 C ATOM 920 O PRO A 652 -8.362 11.626 -14.435 1.00 25.00 O ATOM 921 CB PRO A 652 -8.821 14.163 -12.452 1.00 25.00 C ATOM 922 CG PRO A 652 -9.588 14.544 -13.654 1.00 25.00 C ATOM 923 CD PRO A 652 -8.545 14.905 -14.692 1.00 25.00 C ATOM 0 HA PRO A 652 -6.755 13.369 -12.360 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -9.409 13.534 -11.783 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -8.512 15.037 -11.879 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -10.217 13.722 -13.997 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -10.248 15.387 -13.449 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -8.866 14.628 -15.696 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -8.347 15.977 -14.705 1.00 25.00 H new ATOM 931 N SER A 653 -8.010 11.107 -12.289 1.00 25.00 N ATOM 932 CA SER A 653 -8.427 9.699 -12.446 1.00 25.00 C ATOM 933 C SER A 653 -9.943 9.548 -12.633 1.00 25.00 C ATOM 934 O SER A 653 -10.456 8.437 -12.677 1.00 25.00 O ATOM 935 CB SER A 653 -7.995 8.885 -11.224 1.00 25.00 C ATOM 936 OG SER A 653 -8.076 7.489 -11.471 1.00 25.00 O ATOM 0 H SER A 653 -7.720 11.355 -11.343 1.00 25.00 H new ATOM 0 HA SER A 653 -7.940 9.327 -13.347 1.00 25.00 H new ATOM 0 HB2 SER A 653 -6.973 9.149 -10.953 1.00 25.00 H new ATOM 0 HB3 SER A 653 -8.626 9.142 -10.373 1.00 25.00 H new ATOM 0 HG SER A 653 -8.884 7.295 -11.990 1.00 25.00 H new ATOM 942 N GLY A 654 -10.640 10.673 -12.732 1.00 25.00 N ATOM 943 CA GLY A 654 -12.085 10.687 -12.887 1.00 25.00 C ATOM 944 C GLY A 654 -12.506 11.311 -14.203 1.00 25.00 C ATOM 945 O GLY A 654 -13.390 12.158 -14.237 1.00 25.00 O ATOM 0 H GLY A 654 -10.217 11.601 -12.707 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -12.466 9.667 -12.830 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -12.533 11.241 -12.062 1.00 25.00 H new ATOM 949 N SER A 655 -11.865 10.907 -15.289 1.00 25.00 N ATOM 950 CA SER A 655 -12.219 11.392 -16.624 1.00 25.00 C ATOM 951 C SER A 655 -12.338 10.189 -17.552 1.00 25.00 C ATOM 952 O SER A 655 -11.463 9.341 -17.571 1.00 25.00 O ATOM 953 CB SER A 655 -11.167 12.379 -17.138 1.00 25.00 C ATOM 954 OG SER A 655 -11.192 13.554 -16.348 1.00 25.00 O ATOM 0 H SER A 655 -11.092 10.241 -15.277 1.00 25.00 H new ATOM 0 HA SER A 655 -13.170 11.924 -16.588 1.00 25.00 H new ATOM 0 HB2 SER A 655 -10.177 11.924 -17.100 1.00 25.00 H new ATOM 0 HB3 SER A 655 -11.364 12.626 -18.181 1.00 25.00 H new ATOM 0 HG SER A 655 -10.772 14.289 -16.842 1.00 25.00 H new ATOM 960 N ASP A 656 -13.429 10.112 -18.303 1.00 25.00 N ATOM 961 CA ASP A 656 -13.678 8.973 -19.197 1.00 25.00 C ATOM 962 C ASP A 656 -12.830 8.984 -20.454 1.00 25.00 C ATOM 963 O ASP A 656 -12.498 7.931 -21.004 1.00 25.00 O ATOM 964 CB ASP A 656 -15.141 8.963 -19.631 1.00 25.00 C ATOM 965 CG ASP A 656 -16.031 8.280 -18.629 1.00 25.00 C ATOM 966 OD1 ASP A 656 -16.563 8.960 -17.736 1.00 25.00 O ATOM 967 OD2 ASP A 656 -16.186 7.044 -18.736 1.00 25.00 O ATOM 0 H ASP A 656 -14.161 10.823 -18.315 1.00 25.00 H new ATOM 0 HA ASP A 656 -13.415 8.086 -18.620 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -15.481 9.988 -19.776 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -15.228 8.459 -20.594 1.00 25.00 H new ATOM 972 N HIS A 657 -12.488 10.169 -20.926 1.00 25.00 N ATOM 973 CA HIS A 657 -11.700 10.306 -22.137 1.00 25.00 C ATOM 974 C HIS A 657 -10.975 11.632 -22.100 1.00 25.00 C ATOM 975 O HIS A 657 -11.259 12.480 -21.254 1.00 25.00 O ATOM 976 CB HIS A 657 -12.601 10.229 -23.385 1.00 25.00 C ATOM 977 CG HIS A 657 -13.426 11.456 -23.616 1.00 25.00 C ATOM 978 ND1 HIS A 657 -13.036 12.512 -24.405 1.00 25.00 N ATOM 979 CD2 HIS A 657 -14.662 11.797 -23.157 1.00 25.00 C ATOM 980 CE1 HIS A 657 -14.004 13.421 -24.391 1.00 25.00 C ATOM 981 NE2 HIS A 657 -15.024 13.035 -23.651 1.00 25.00 N ATOM 0 H HIS A 657 -12.745 11.053 -20.487 1.00 25.00 H new ATOM 0 HA HIS A 657 -10.979 9.490 -22.192 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -11.977 10.053 -24.261 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.265 9.370 -23.289 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -15.270 11.189 -22.503 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -13.961 14.361 -24.921 1.00 25.00 H new ATOM 0 HE2 HIS A 657 -15.893 13.541 -23.480 1.00 25.00 H new ATOM 989 N VAL A 658 -10.053 11.811 -23.027 1.00 25.00 N ATOM 990 CA VAL A 658 -9.320 13.056 -23.169 1.00 25.00 C ATOM 991 C VAL A 658 -9.540 13.537 -24.596 1.00 25.00 C ATOM 992 O VAL A 658 -9.369 12.784 -25.559 1.00 25.00 O ATOM 993 CB VAL A 658 -7.799 12.877 -22.830 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.231 11.575 -23.402 1.00 25.00 C ATOM 995 CG2 VAL A 658 -6.978 14.077 -23.330 1.00 25.00 C ATOM 0 H VAL A 658 -9.790 11.096 -23.705 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.684 13.801 -22.461 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.722 12.824 -21.744 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.175 11.494 -23.143 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.774 10.727 -22.985 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.339 11.576 -24.487 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -5.927 13.927 -23.082 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -7.087 14.167 -24.411 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -7.337 14.988 -22.852 1.00 25.00 H new ATOM 1005 N MET A 659 -9.939 14.793 -24.727 1.00 25.00 N ATOM 1006 CA MET A 659 -10.129 15.407 -26.033 1.00 25.00 C ATOM 1007 C MET A 659 -8.806 16.091 -26.372 1.00 25.00 C ATOM 1008 O MET A 659 -8.449 17.103 -25.769 1.00 25.00 O ATOM 1009 CB MET A 659 -11.281 16.425 -25.990 1.00 25.00 C ATOM 1010 CG MET A 659 -12.211 16.346 -27.191 1.00 25.00 C ATOM 1011 SD MET A 659 -11.317 16.535 -28.736 1.00 25.00 S ATOM 1012 CE MET A 659 -12.637 16.346 -29.962 1.00 25.00 C ATOM 0 H MET A 659 -10.139 15.410 -23.940 1.00 25.00 H new ATOM 0 HA MET A 659 -10.395 14.668 -26.789 1.00 25.00 H new ATOM 0 HB2 MET A 659 -11.861 16.266 -25.081 1.00 25.00 H new ATOM 0 HB3 MET A 659 -10.864 17.430 -25.930 1.00 25.00 H new ATOM 0 HG2 MET A 659 -12.731 15.388 -27.186 1.00 25.00 H new ATOM 0 HG3 MET A 659 -12.972 17.122 -27.114 1.00 25.00 H new ATOM 0 HE1 MET A 659 -12.226 15.917 -30.876 1.00 25.00 H new ATOM 0 HE2 MET A 659 -13.409 15.686 -29.567 1.00 25.00 H new ATOM 0 HE3 MET A 659 -13.071 17.321 -30.182 1.00 25.00 H new ATOM 1022 N LEU A 660 -8.068 15.533 -27.317 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.793 16.111 -27.720 1.00 25.00 C ATOM 1024 C LEU A 660 -7.056 17.037 -28.876 1.00 25.00 C ATOM 1025 O LEU A 660 -7.838 16.714 -29.751 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.802 15.038 -28.175 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.249 14.087 -27.110 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.260 13.158 -27.778 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.558 14.854 -25.975 1.00 25.00 C ATOM 0 H LEU A 660 -8.327 14.684 -27.819 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.358 16.632 -26.867 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -6.288 14.436 -28.943 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -4.958 15.539 -28.649 1.00 25.00 H new ATOM 0 HG LEU A 660 -6.073 13.525 -26.669 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.851 12.469 -27.039 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.764 12.592 -28.561 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.451 13.742 -28.216 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -4.178 14.147 -25.237 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.730 15.436 -26.380 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -5.274 15.524 -25.500 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.391 18.181 -28.875 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.519 19.174 -29.942 1.00 25.00 C ATOM 1043 C LYS A 661 -5.114 19.565 -30.337 1.00 25.00 C ATOM 1044 O LYS A 661 -4.159 19.074 -29.741 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.308 20.398 -29.456 1.00 25.00 C ATOM 1046 CG LYS A 661 -8.758 20.082 -29.126 1.00 25.00 C ATOM 1047 CD LYS A 661 -9.715 21.051 -29.802 1.00 25.00 C ATOM 1048 CE LYS A 661 -11.130 20.526 -29.680 1.00 25.00 C ATOM 1049 NZ LYS A 661 -12.153 21.424 -30.309 1.00 25.00 N ATOM 0 H LYS A 661 -5.744 18.453 -28.135 1.00 25.00 H new ATOM 0 HA LYS A 661 -7.065 18.765 -30.792 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -6.822 20.808 -28.571 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -7.277 21.171 -30.224 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -8.989 19.064 -29.441 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -8.902 20.122 -28.046 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -9.639 22.036 -29.341 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -9.448 21.170 -30.852 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -11.186 19.542 -30.145 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -11.372 20.395 -28.625 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -13.090 20.977 -30.251 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -12.172 22.334 -29.806 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -11.907 21.585 -31.307 1.00 25.00 H new ATOM 1063 N SER A 662 -4.997 20.445 -31.323 1.00 25.00 N ATOM 1064 CA SER A 662 -3.689 20.910 -31.825 1.00 25.00 C ATOM 1065 C SER A 662 -2.902 19.716 -32.373 1.00 25.00 C ATOM 1066 O SER A 662 -1.786 19.422 -31.946 1.00 25.00 O ATOM 1067 CB SER A 662 -2.894 21.648 -30.728 1.00 25.00 C ATOM 1068 OG SER A 662 -1.756 22.314 -31.260 1.00 25.00 O ATOM 0 H SER A 662 -5.796 20.861 -31.802 1.00 25.00 H new ATOM 0 HA SER A 662 -3.855 21.626 -32.630 1.00 25.00 H new ATOM 0 HB2 SER A 662 -3.542 22.373 -30.234 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.576 20.935 -29.967 1.00 25.00 H new ATOM 0 HG SER A 662 -1.194 21.670 -31.739 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.519 19.031 -33.323 1.00 25.00 N ATOM 1075 CA LEU A 663 -2.939 17.864 -33.971 1.00 25.00 C ATOM 1076 C LEU A 663 -3.368 17.934 -35.429 1.00 25.00 C ATOM 1077 O LEU A 663 -4.329 18.633 -35.754 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.427 16.581 -33.281 1.00 25.00 C ATOM 1079 CG LEU A 663 -4.947 16.400 -33.074 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.654 15.880 -34.315 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -5.158 15.435 -31.915 1.00 25.00 C ATOM 0 H LEU A 663 -4.447 19.272 -33.670 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.851 17.850 -33.901 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -3.066 15.732 -33.862 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -2.948 16.525 -32.303 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.380 17.377 -32.859 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.719 15.773 -34.109 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.512 16.583 -35.136 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -5.239 14.911 -34.591 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -6.226 15.292 -31.750 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.696 14.477 -32.151 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.704 15.845 -31.013 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.661 17.238 -36.300 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.957 17.295 -37.729 1.00 25.00 C ATOM 1095 C ASP A 664 -4.233 16.536 -38.039 1.00 25.00 C ATOM 1096 O ASP A 664 -4.513 15.511 -37.444 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.821 16.678 -38.552 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.554 17.515 -38.530 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.554 18.613 -37.946 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.458 17.062 -39.097 1.00 25.00 O ATOM 0 H ASP A 664 -1.882 16.629 -36.051 1.00 25.00 H new ATOM 0 HA ASP A 664 -3.072 18.346 -37.993 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.600 15.682 -38.167 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -2.151 16.555 -39.583 1.00 25.00 H new ATOM 1105 N TRP A 665 -5.006 17.040 -38.986 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.218 16.352 -39.423 1.00 25.00 C ATOM 1107 C TRP A 665 -6.086 15.872 -40.864 1.00 25.00 C ATOM 1108 O TRP A 665 -6.609 14.828 -41.218 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.433 17.270 -39.253 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.216 18.654 -39.775 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.632 19.692 -39.125 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.587 19.175 -41.068 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.591 20.811 -39.896 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.163 20.537 -41.107 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.227 18.631 -42.200 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.354 21.357 -42.237 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.417 19.453 -43.343 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -7.975 20.809 -43.346 1.00 25.00 C ATOM 0 H TRP A 665 -4.821 17.920 -39.468 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.362 15.470 -38.798 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.287 16.827 -39.766 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.690 17.326 -38.195 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.247 19.636 -38.118 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.197 21.709 -39.616 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.567 17.606 -42.198 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -7.025 22.386 -42.238 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -8.901 19.047 -44.219 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.127 21.417 -44.226 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.370 16.635 -41.685 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.193 16.309 -43.106 1.00 25.00 C ATOM 1131 C ASN A 666 -3.867 15.589 -43.347 1.00 25.00 C ATOM 1132 O ASN A 666 -3.378 15.519 -44.470 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.221 17.594 -43.941 1.00 25.00 C ATOM 1134 CG ASN A 666 -5.695 17.353 -45.350 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -6.800 16.888 -45.572 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -4.872 17.678 -46.304 1.00 25.00 N ATOM 0 H ASN A 666 -4.898 17.490 -41.392 1.00 25.00 H new ATOM 0 HA ASN A 666 -6.009 15.650 -43.403 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.874 18.322 -43.460 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -4.222 18.030 -43.966 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -5.143 17.546 -47.278 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -3.956 18.064 -46.077 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.291 15.069 -42.277 1.00 25.00 N ATOM 1144 CA ALA A 667 -2.012 14.372 -42.304 1.00 25.00 C ATOM 1145 C ALA A 667 -2.088 13.520 -41.049 1.00 25.00 C ATOM 1146 O ALA A 667 -2.998 13.725 -40.245 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.834 15.362 -42.241 1.00 25.00 C ATOM 0 H ALA A 667 -3.705 15.119 -41.346 1.00 25.00 H new ATOM 0 HA ALA A 667 -1.844 13.796 -43.214 1.00 25.00 H new ATOM 0 HB1 ALA A 667 0.106 14.811 -42.263 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -0.879 16.036 -43.096 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.894 15.941 -41.319 1.00 25.00 H new ATOM 1153 N GLU A 668 -1.175 12.577 -40.877 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.250 11.683 -39.726 1.00 25.00 C ATOM 1155 C GLU A 668 -0.440 12.128 -38.526 1.00 25.00 C ATOM 1156 O GLU A 668 0.524 12.896 -38.628 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.914 10.244 -40.128 1.00 25.00 C ATOM 1158 CG GLU A 668 0.512 9.896 -40.441 1.00 25.00 C ATOM 1159 CD GLU A 668 0.601 8.470 -41.007 1.00 25.00 C ATOM 1160 OE1 GLU A 668 -0.473 7.836 -41.230 1.00 25.00 O ATOM 1161 OE2 GLU A 668 1.721 7.988 -41.239 1.00 25.00 O ATOM 0 H GLU A 668 -0.388 12.410 -41.504 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.287 11.726 -39.393 1.00 25.00 H new ATOM 0 HB2 GLU A 668 -1.244 9.590 -39.321 1.00 25.00 H new ATOM 0 HB3 GLU A 668 -1.514 9.997 -41.004 1.00 25.00 H new ATOM 0 HG2 GLU A 668 0.917 10.607 -41.162 1.00 25.00 H new ATOM 0 HG3 GLU A 668 1.119 9.975 -39.539 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.863 11.634 -37.377 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.233 11.937 -36.111 1.00 25.00 C ATOM 1170 C TYR A 669 -0.326 10.694 -35.255 1.00 25.00 C ATOM 1171 O TYR A 669 -1.177 9.837 -35.497 1.00 25.00 O ATOM 1172 CB TYR A 669 -0.952 13.103 -35.431 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.402 12.834 -35.143 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.378 13.043 -36.131 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.812 12.368 -33.879 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.739 12.805 -35.866 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.179 12.129 -33.610 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.125 12.358 -34.606 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.444 12.155 -34.345 1.00 25.00 O ATOM 0 H TYR A 669 -1.662 11.005 -37.299 1.00 25.00 H new ATOM 0 HA TYR A 669 0.808 12.227 -36.257 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.442 13.337 -34.496 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.875 13.986 -36.066 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.079 13.392 -37.109 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.076 12.192 -33.109 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.479 12.968 -36.635 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.488 11.771 -32.639 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.799 11.480 -34.961 1.00 25.00 H new ATOM 1189 N GLU A 670 0.549 10.597 -34.271 1.00 25.00 N ATOM 1190 CA GLU A 670 0.607 9.451 -33.375 1.00 25.00 C ATOM 1191 C GLU A 670 0.410 9.948 -31.949 1.00 25.00 C ATOM 1192 O GLU A 670 0.873 11.034 -31.586 1.00 25.00 O ATOM 1193 CB GLU A 670 1.952 8.722 -33.531 1.00 25.00 C ATOM 1194 CG GLU A 670 3.180 9.581 -33.220 1.00 25.00 C ATOM 1195 CD GLU A 670 4.479 8.899 -33.616 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.771 7.804 -33.094 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.217 9.471 -34.452 1.00 25.00 O ATOM 0 H GLU A 670 1.245 11.314 -34.068 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.180 8.738 -33.620 1.00 25.00 H new ATOM 0 HB2 GLU A 670 1.957 7.852 -32.874 1.00 25.00 H new ATOM 0 HB3 GLU A 670 2.033 8.351 -34.553 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.097 10.532 -33.746 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.202 9.807 -32.154 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.294 9.164 -31.147 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.597 9.530 -29.765 1.00 25.00 C ATOM 1206 C VAL A 671 -0.185 8.418 -28.828 1.00 25.00 C ATOM 1207 O VAL A 671 -0.602 7.291 -29.017 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.129 9.731 -29.572 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.464 10.093 -28.112 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.669 10.809 -30.520 1.00 25.00 C ATOM 0 H VAL A 671 -0.671 8.260 -31.430 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.056 10.451 -29.548 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.614 8.785 -29.812 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.541 10.227 -28.008 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.133 9.290 -27.453 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -1.955 11.018 -27.841 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.741 10.928 -30.363 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.166 11.755 -30.320 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.484 10.511 -31.552 1.00 25.00 H new ATOM 1220 N TYR A 672 0.604 8.740 -27.811 1.00 25.00 N ATOM 1221 CA TYR A 672 0.977 7.785 -26.768 1.00 25.00 C ATOM 1222 C TYR A 672 0.384 8.289 -25.472 1.00 25.00 C ATOM 1223 O TYR A 672 0.343 9.493 -25.229 1.00 25.00 O ATOM 1224 CB TYR A 672 2.495 7.692 -26.614 1.00 25.00 C ATOM 1225 CG TYR A 672 3.132 6.866 -27.693 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.572 5.553 -27.432 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.288 7.384 -28.987 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.147 4.761 -28.460 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.872 6.604 -30.017 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.296 5.301 -29.745 1.00 25.00 C ATOM 1231 OH TYR A 672 4.850 4.549 -30.747 1.00 25.00 O ATOM 0 H TYR A 672 1.005 9.669 -27.683 1.00 25.00 H new ATOM 0 HA TYR A 672 0.607 6.794 -27.030 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.921 8.695 -26.630 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.733 7.260 -25.642 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.470 5.144 -26.438 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.959 8.390 -29.202 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.467 3.750 -28.254 1.00 25.00 H new ATOM 0 HE2 TYR A 672 3.989 7.016 -31.009 1.00 25.00 H new ATOM 0 HH TYR A 672 4.878 5.075 -31.573 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.083 7.380 -24.638 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.671 7.755 -23.361 1.00 25.00 C ATOM 1243 C VAL A 673 -0.281 6.714 -22.320 1.00 25.00 C ATOM 1244 O VAL A 673 -0.314 5.506 -22.586 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.231 7.912 -23.499 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -2.846 6.752 -24.310 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -2.917 8.062 -22.122 1.00 25.00 C ATOM 0 H VAL A 673 -0.068 6.376 -24.819 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.290 8.723 -23.037 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.413 8.833 -24.052 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -3.924 6.892 -24.386 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.411 6.736 -25.309 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.638 5.807 -23.809 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -3.993 8.168 -22.261 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -2.715 7.179 -21.516 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.528 8.946 -21.616 1.00 25.00 H new ATOM 1257 N VAL A 674 0.097 7.187 -21.140 1.00 25.00 N ATOM 1258 CA VAL A 674 0.402 6.320 -20.004 1.00 25.00 C ATOM 1259 C VAL A 674 -0.280 6.904 -18.777 1.00 25.00 C ATOM 1260 O VAL A 674 -0.620 8.094 -18.739 1.00 25.00 O ATOM 1261 CB VAL A 674 1.939 6.190 -19.720 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.635 5.461 -20.853 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.590 7.554 -19.514 1.00 25.00 C ATOM 0 H VAL A 674 0.202 8.182 -20.941 1.00 25.00 H new ATOM 0 HA VAL A 674 0.041 5.319 -20.240 1.00 25.00 H new ATOM 0 HB VAL A 674 2.048 5.615 -18.801 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.700 5.382 -20.635 1.00 25.00 H new ATOM 0 HG12 VAL A 674 2.211 4.462 -20.958 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.495 6.014 -21.782 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.655 7.423 -19.320 1.00 25.00 H new ATOM 0 HG22 VAL A 674 2.456 8.160 -20.410 1.00 25.00 H new ATOM 0 HG23 VAL A 674 2.125 8.055 -18.665 1.00 25.00 H new ATOM 1273 N ALA A 675 -0.465 6.064 -17.776 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.054 6.460 -16.510 1.00 25.00 C ATOM 1275 C ALA A 675 0.039 6.345 -15.468 1.00 25.00 C ATOM 1276 O ALA A 675 0.909 5.483 -15.581 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.195 5.555 -16.179 1.00 25.00 C ATOM 0 H ALA A 675 -0.208 5.078 -17.819 1.00 25.00 H new ATOM 0 HA ALA A 675 -1.442 7.478 -16.550 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -2.634 5.856 -15.228 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -2.949 5.619 -16.963 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -1.835 4.529 -16.104 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.009 7.193 -14.461 1.00 25.00 N ATOM 1284 CA GLU A 676 0.953 7.153 -13.374 1.00 25.00 C ATOM 1285 C GLU A 676 0.177 7.162 -12.074 1.00 25.00 C ATOM 1286 O GLU A 676 -0.432 8.169 -11.719 1.00 25.00 O ATOM 1287 CB GLU A 676 1.878 8.372 -13.461 1.00 25.00 C ATOM 1288 CG GLU A 676 2.996 8.351 -12.457 1.00 25.00 C ATOM 1289 CD GLU A 676 3.912 9.545 -12.555 1.00 25.00 C ATOM 1290 OE1 GLU A 676 4.574 9.701 -13.603 1.00 25.00 O ATOM 1291 OE2 GLU A 676 3.989 10.323 -11.579 1.00 25.00 O ATOM 0 H GLU A 676 -0.712 7.927 -14.371 1.00 25.00 H new ATOM 0 HA GLU A 676 1.571 6.257 -13.432 1.00 25.00 H new ATOM 0 HB2 GLU A 676 2.302 8.425 -14.464 1.00 25.00 H new ATOM 0 HB3 GLU A 676 1.288 9.277 -13.316 1.00 25.00 H new ATOM 0 HG2 GLU A 676 2.572 8.309 -11.454 1.00 25.00 H new ATOM 0 HG3 GLU A 676 3.581 7.442 -12.595 1.00 25.00 H new ATOM 1298 N ASN A 677 0.175 6.050 -11.355 1.00 25.00 N ATOM 1299 CA ASN A 677 -0.530 6.000 -10.082 1.00 25.00 C ATOM 1300 C ASN A 677 0.513 6.288 -9.014 1.00 25.00 C ATOM 1301 O ASN A 677 1.650 6.624 -9.327 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.354 4.698 -9.879 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.530 3.498 -9.491 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.678 3.521 -9.501 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.199 2.436 -9.142 1.00 25.00 N ATOM 0 H ASN A 677 0.644 5.185 -11.624 1.00 25.00 H new ATOM 0 HA ASN A 677 -1.316 6.754 -10.031 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.105 4.873 -9.108 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -1.890 4.473 -10.801 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -0.703 1.589 -8.866 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.219 2.452 -9.145 1.00 25.00 H new ATOM 1312 N GLN A 678 0.145 6.191 -7.756 1.00 25.00 N ATOM 1313 CA GLN A 678 1.062 6.533 -6.678 1.00 25.00 C ATOM 1314 C GLN A 678 2.146 5.463 -6.418 1.00 25.00 C ATOM 1315 O GLN A 678 2.966 5.607 -5.522 1.00 25.00 O ATOM 1316 CB GLN A 678 0.229 6.902 -5.449 1.00 25.00 C ATOM 1317 CG GLN A 678 0.982 7.721 -4.398 1.00 25.00 C ATOM 1318 CD GLN A 678 0.052 8.335 -3.381 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -0.892 9.020 -3.733 1.00 25.00 O ATOM 1320 NE2 GLN A 678 0.316 8.104 -2.123 1.00 25.00 N ATOM 0 H GLN A 678 -0.777 5.880 -7.449 1.00 25.00 H new ATOM 0 HA GLN A 678 1.658 7.398 -6.969 1.00 25.00 H new ATOM 0 HB2 GLN A 678 -0.645 7.466 -5.774 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -0.137 5.986 -4.985 1.00 25.00 H new ATOM 0 HG2 GLN A 678 1.703 7.081 -3.889 1.00 25.00 H new ATOM 0 HG3 GLN A 678 1.549 8.510 -4.892 1.00 25.00 H new ATOM 0 HE21 GLN A 678 1.116 7.525 -1.868 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -0.278 8.503 -1.396 1.00 25.00 H new ATOM 1329 N GLN A 679 2.137 4.393 -7.208 1.00 25.00 N ATOM 1330 CA GLN A 679 3.105 3.301 -7.063 1.00 25.00 C ATOM 1331 C GLN A 679 3.981 3.051 -8.303 1.00 25.00 C ATOM 1332 O GLN A 679 5.092 2.551 -8.176 1.00 25.00 O ATOM 1333 CB GLN A 679 2.341 2.018 -6.739 1.00 25.00 C ATOM 1334 CG GLN A 679 2.680 1.421 -5.379 1.00 25.00 C ATOM 1335 CD GLN A 679 2.324 2.317 -4.194 1.00 25.00 C ATOM 1336 OE1 GLN A 679 3.041 2.348 -3.200 1.00 25.00 O ATOM 1337 NE2 GLN A 679 1.225 3.024 -4.280 1.00 25.00 N ATOM 0 H GLN A 679 1.465 4.255 -7.963 1.00 25.00 H new ATOM 0 HA GLN A 679 3.786 3.598 -6.265 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.271 2.225 -6.777 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.550 1.278 -7.511 1.00 25.00 H new ATOM 0 HG2 GLN A 679 2.157 0.471 -5.271 1.00 25.00 H new ATOM 0 HG3 GLN A 679 3.747 1.202 -5.347 1.00 25.00 H new ATOM 0 HE21 GLN A 679 0.651 2.975 -5.122 1.00 25.00 H new ATOM 0 HE22 GLN A 679 0.943 3.624 -3.505 1.00 25.00 H new ATOM 1346 N GLY A 680 3.489 3.381 -9.490 1.00 25.00 N ATOM 1347 CA GLY A 680 4.241 3.141 -10.713 1.00 25.00 C ATOM 1348 C GLY A 680 3.503 3.624 -11.949 1.00 25.00 C ATOM 1349 O GLY A 680 2.491 4.321 -11.839 1.00 25.00 O ATOM 0 H GLY A 680 2.576 3.814 -9.631 1.00 25.00 H new ATOM 0 HA2 GLY A 680 5.205 3.645 -10.648 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.445 2.074 -10.808 1.00 25.00 H new ATOM 1353 N LYS A 681 3.997 3.256 -13.127 1.00 25.00 N ATOM 1354 CA LYS A 681 3.386 3.681 -14.394 1.00 25.00 C ATOM 1355 C LYS A 681 2.828 2.515 -15.181 1.00 25.00 C ATOM 1356 O LYS A 681 3.227 1.376 -14.992 1.00 25.00 O ATOM 1357 CB LYS A 681 4.393 4.432 -15.267 1.00 25.00 C ATOM 1358 CG LYS A 681 4.560 5.878 -14.842 1.00 25.00 C ATOM 1359 CD LYS A 681 4.663 6.834 -16.034 1.00 25.00 C ATOM 1360 CE LYS A 681 6.054 7.423 -16.170 1.00 25.00 C ATOM 1361 NZ LYS A 681 6.079 8.877 -15.766 1.00 25.00 N ATOM 0 H LYS A 681 4.820 2.663 -13.237 1.00 25.00 H new ATOM 0 HA LYS A 681 2.563 4.344 -14.128 1.00 25.00 H new ATOM 0 HB2 LYS A 681 5.358 3.928 -15.219 1.00 25.00 H new ATOM 0 HB3 LYS A 681 4.066 4.397 -16.306 1.00 25.00 H new ATOM 0 HG2 LYS A 681 3.714 6.170 -14.219 1.00 25.00 H new ATOM 0 HG3 LYS A 681 5.456 5.971 -14.228 1.00 25.00 H new ATOM 0 HD2 LYS A 681 4.403 6.302 -16.949 1.00 25.00 H new ATOM 0 HD3 LYS A 681 3.938 7.639 -15.917 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.751 6.860 -15.550 1.00 25.00 H new ATOM 0 HE3 LYS A 681 6.393 7.325 -17.201 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 7.005 9.106 -15.351 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 5.918 9.473 -16.603 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 5.332 9.055 -15.065 1.00 25.00 H new ATOM 1375 N SER A 682 1.890 2.828 -16.059 1.00 25.00 N ATOM 1376 CA SER A 682 1.228 1.823 -16.878 1.00 25.00 C ATOM 1377 C SER A 682 2.009 1.572 -18.146 1.00 25.00 C ATOM 1378 O SER A 682 2.899 2.344 -18.509 1.00 25.00 O ATOM 1379 CB SER A 682 -0.172 2.303 -17.273 1.00 25.00 C ATOM 1380 OG SER A 682 -0.113 3.243 -18.338 1.00 25.00 O ATOM 0 H SER A 682 1.566 3.781 -16.225 1.00 25.00 H new ATOM 0 HA SER A 682 1.165 0.906 -16.292 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.781 1.450 -17.571 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.660 2.757 -16.411 1.00 25.00 H new ATOM 0 HG SER A 682 -0.055 2.766 -19.192 1.00 25.00 H new ATOM 1386 N LYS A 683 1.654 0.509 -18.852 1.00 25.00 N ATOM 1387 CA LYS A 683 2.224 0.262 -20.164 1.00 25.00 C ATOM 1388 C LYS A 683 1.632 1.317 -21.083 1.00 25.00 C ATOM 1389 O LYS A 683 0.501 1.755 -20.873 1.00 25.00 O ATOM 1390 CB LYS A 683 1.837 -1.124 -20.657 1.00 25.00 C ATOM 1391 CG LYS A 683 2.961 -2.146 -20.542 1.00 25.00 C ATOM 1392 CD LYS A 683 2.488 -3.558 -20.900 1.00 25.00 C ATOM 1393 CE LYS A 683 1.972 -3.626 -22.337 1.00 25.00 C ATOM 1394 NZ LYS A 683 1.598 -5.028 -22.742 1.00 25.00 N ATOM 0 H LYS A 683 0.980 -0.190 -18.540 1.00 25.00 H new ATOM 0 HA LYS A 683 3.313 0.311 -20.138 1.00 25.00 H new ATOM 0 HB2 LYS A 683 0.977 -1.476 -20.088 1.00 25.00 H new ATOM 0 HB3 LYS A 683 1.524 -1.056 -21.699 1.00 25.00 H new ATOM 0 HG2 LYS A 683 3.781 -1.860 -21.201 1.00 25.00 H new ATOM 0 HG3 LYS A 683 3.353 -2.141 -19.525 1.00 25.00 H new ATOM 0 HD2 LYS A 683 3.311 -4.262 -20.774 1.00 25.00 H new ATOM 0 HD3 LYS A 683 1.699 -3.864 -20.214 1.00 25.00 H new ATOM 0 HE2 LYS A 683 1.103 -2.976 -22.440 1.00 25.00 H new ATOM 0 HE3 LYS A 683 2.737 -3.246 -23.014 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 1.254 -5.026 -23.723 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 2.432 -5.645 -22.669 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 0.849 -5.383 -22.113 1.00 25.00 H new ATOM 1408 N ALA A 684 2.383 1.716 -22.093 1.00 25.00 N ATOM 1409 CA ALA A 684 1.903 2.696 -23.053 1.00 25.00 C ATOM 1410 C ALA A 684 0.935 2.047 -24.031 1.00 25.00 C ATOM 1411 O ALA A 684 1.055 0.858 -24.341 1.00 25.00 O ATOM 1412 CB ALA A 684 3.095 3.299 -23.821 1.00 25.00 C ATOM 0 H ALA A 684 3.328 1.377 -22.271 1.00 25.00 H new ATOM 0 HA ALA A 684 1.381 3.488 -22.516 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.731 4.033 -24.540 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.773 3.784 -23.118 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.626 2.507 -24.349 1.00 25.00 H new ATOM 1418 N ALA A 685 0.011 2.846 -24.535 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.877 2.433 -25.608 1.00 25.00 C ATOM 1420 C ALA A 685 -0.717 3.551 -26.626 1.00 25.00 C ATOM 1421 O ALA A 685 -0.558 4.711 -26.232 1.00 25.00 O ATOM 1422 CB ALA A 685 -2.325 2.320 -25.123 1.00 25.00 C ATOM 0 H ALA A 685 -0.145 3.801 -24.212 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.638 1.448 -26.010 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -2.963 2.009 -25.951 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -2.384 1.583 -24.322 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.660 3.288 -24.750 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.735 3.211 -27.905 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.558 4.195 -28.960 1.00 25.00 C ATOM 1430 C HIS A 686 -1.437 3.921 -30.164 1.00 25.00 C ATOM 1431 O HIS A 686 -1.752 2.770 -30.456 1.00 25.00 O ATOM 1432 CB HIS A 686 0.900 4.260 -29.399 1.00 25.00 C ATOM 1433 CG HIS A 686 1.401 3.000 -30.036 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.926 1.937 -29.346 1.00 25.00 N ATOM 1435 CD2 HIS A 686 1.466 2.634 -31.348 1.00 25.00 C ATOM 1436 CE1 HIS A 686 2.270 1.000 -30.223 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.008 1.369 -31.458 1.00 25.00 N ATOM 0 H HIS A 686 -0.871 2.257 -28.238 1.00 25.00 H new ATOM 0 HA HIS A 686 -0.858 5.155 -28.540 1.00 25.00 H new ATOM 0 HB2 HIS A 686 1.021 5.084 -30.103 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.520 4.488 -28.532 1.00 25.00 H new ATOM 0 HD2 HIS A 686 1.141 3.244 -32.178 1.00 25.00 H new ATOM 0 HE1 HIS A 686 2.711 0.051 -29.955 1.00 25.00 H new ATOM 0 HE2 HIS A 686 2.170 0.836 -32.312 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.839 4.982 -30.849 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.634 4.853 -32.066 1.00 25.00 C ATOM 1447 C PHE A 687 -2.280 5.983 -33.029 1.00 25.00 C ATOM 1448 O PHE A 687 -1.765 7.023 -32.609 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.136 4.815 -31.749 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.765 6.168 -31.527 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.603 6.856 -30.307 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.545 6.754 -32.539 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.234 8.116 -30.097 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.171 8.002 -32.342 1.00 25.00 C ATOM 1455 CZ PHE A 687 -6.023 8.681 -31.117 1.00 25.00 C ATOM 0 H PHE A 687 -1.628 5.944 -30.584 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.396 3.905 -32.549 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.655 4.318 -32.569 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.291 4.206 -30.858 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -3.996 6.424 -29.525 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.667 6.241 -33.481 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.108 8.636 -29.159 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.765 8.438 -33.132 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.513 9.631 -30.961 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.537 5.759 -34.313 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.218 6.713 -35.382 1.00 25.00 C ATOM 1467 C VAL A 688 -3.526 7.000 -36.119 1.00 25.00 C ATOM 1468 O VAL A 688 -4.327 6.084 -36.312 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.160 6.103 -36.370 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.810 7.085 -37.507 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.122 5.722 -35.610 1.00 25.00 C ATOM 0 H VAL A 688 -2.977 4.903 -34.650 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.789 7.627 -34.971 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.604 5.211 -36.813 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.075 6.627 -38.170 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.711 7.323 -38.073 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.396 8.000 -37.083 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.846 5.301 -36.307 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.544 6.610 -35.141 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.115 4.985 -34.843 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.762 8.247 -36.514 1.00 25.00 N ATOM 1482 CA PHE A 689 -5.021 8.614 -37.172 1.00 25.00 C ATOM 1483 C PHE A 689 -4.873 9.792 -38.144 1.00 25.00 C ATOM 1484 O PHE A 689 -3.980 10.616 -37.990 1.00 25.00 O ATOM 1485 CB PHE A 689 -6.039 8.983 -36.080 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.401 9.344 -36.611 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.751 10.692 -36.830 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.340 8.342 -36.903 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -9.023 11.039 -37.335 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.614 8.676 -37.420 1.00 25.00 C ATOM 1491 CZ PHE A 689 -9.954 10.031 -37.636 1.00 25.00 C ATOM 0 H PHE A 689 -3.106 9.019 -36.393 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.351 7.760 -37.764 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -6.139 8.143 -35.392 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.650 9.823 -35.504 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -7.036 11.470 -36.608 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -8.087 7.306 -36.731 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.280 12.077 -37.489 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.326 7.897 -37.649 1.00 25.00 H new ATOM 0 HZ PHE A 689 -10.925 10.290 -38.031 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.780 9.866 -39.120 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.928 11.015 -40.033 1.00 25.00 C ATOM 1503 C ARG A 690 -7.383 11.001 -40.435 1.00 25.00 C ATOM 1504 O ARG A 690 -8.029 9.963 -40.334 1.00 25.00 O ATOM 1505 CB ARG A 690 -5.108 10.936 -41.335 1.00 25.00 C ATOM 1506 CG ARG A 690 -4.041 9.886 -41.425 1.00 25.00 C ATOM 1507 CD ARG A 690 -4.494 8.536 -41.925 1.00 25.00 C ATOM 1508 NE ARG A 690 -3.325 7.641 -41.960 1.00 25.00 N ATOM 1509 CZ ARG A 690 -3.315 6.385 -42.378 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -4.392 5.777 -42.815 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -2.187 5.739 -42.351 1.00 25.00 N ATOM 0 H ARG A 690 -6.448 9.118 -39.306 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.577 11.905 -39.511 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -5.803 10.779 -42.160 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -4.638 11.906 -41.494 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.252 10.251 -42.083 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -3.599 9.758 -40.437 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -5.265 8.128 -41.272 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -4.933 8.627 -42.919 1.00 25.00 H new ATOM 0 HE ARG A 690 -2.439 8.025 -41.631 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -5.283 6.274 -42.842 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -4.339 4.808 -43.128 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -1.342 6.201 -42.014 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -2.147 4.770 -42.666 1.00 25.00 H new ATOM 1525 N THR A 691 -7.883 12.123 -40.917 1.00 25.00 N ATOM 1526 CA THR A 691 -9.252 12.214 -41.424 1.00 25.00 C ATOM 1527 C THR A 691 -9.119 12.876 -42.797 1.00 25.00 C ATOM 1528 O THR A 691 -8.003 13.187 -43.206 1.00 25.00 O ATOM 1529 CB THR A 691 -10.187 12.982 -40.438 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.509 13.058 -40.980 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.691 14.384 -40.155 1.00 25.00 C ATOM 0 H THR A 691 -7.360 12.997 -40.971 1.00 25.00 H new ATOM 0 HA THR A 691 -9.731 11.239 -41.516 1.00 25.00 H new ATOM 0 HB THR A 691 -10.190 12.427 -39.500 1.00 25.00 H new ATOM 0 HG1 THR A 691 -12.091 13.540 -40.356 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.374 14.879 -39.464 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.697 14.335 -39.710 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.645 14.948 -41.086 1.00 25.00 H new ATOM 1539 N HIS A 692 -10.232 13.051 -43.505 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.285 13.626 -44.874 1.00 25.00 C ATOM 1541 C HIS A 692 -9.557 12.780 -45.939 1.00 25.00 C ATOM 1542 O HIS A 692 -9.674 13.041 -47.136 1.00 25.00 O ATOM 1543 CB HIS A 692 -9.761 15.076 -44.911 1.00 25.00 C ATOM 1544 CG HIS A 692 -10.605 16.050 -44.144 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -11.238 15.935 -42.944 1.00 25.00 N flip ATOM 1546 CD2 HIS A 692 -10.893 17.319 -44.574 1.00 25.00 C flip ATOM 1547 CE1 HIS A 692 -11.889 17.110 -42.636 1.00 25.00 C flip ATOM 1548 NE2 HIS A 692 -11.652 17.910 -43.655 1.00 25.00 N flip ATOM 0 H HIS A 692 -11.152 12.795 -43.146 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.344 13.620 -45.133 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -8.747 15.095 -44.510 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -9.700 15.403 -45.949 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -10.561 17.763 -45.501 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -12.468 17.328 -41.751 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -12.006 18.864 -43.730 1.00 25.00 H new