USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=25 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 629 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 677 ASN : amide:sc= -0.797 K(o=-0.8,f=-7.2!) USER MOD Set 2.1: A 620 ASN : amide:sc= 0.259 K(o=1.1,f=-2.8) USER MOD Set 2.2: A 623 LYS NZ :NH3+ 179:sc= 0.878 (180deg=0.0205) USER MOD Set 3.1: A 618 LYS NZ :NH3+ -156:sc= 1.47 (180deg=0.971) USER MOD Set 3.2: A 659 MET CE :methyl 167:sc= -0.444 (180deg=-0.545) USER MOD Single : A 602 SER OG : rot -35:sc= 1.23 USER MOD Single : A 605 LYS NZ :NH3+ 173:sc= 1.06 (180deg=0.903) USER MOD Single : A 609 GLN : amide:sc= 0.205 X(o=0.2,f=-0.074) USER MOD Single : A 610 MET CE :methyl -172:sc= 0 (180deg=-0.0545) USER MOD Single : A 615 ASN : amide:sc= 0.129 K(o=0.13,f=-0.67) USER MOD Single : A 616 SER OG : rot 88:sc= 0.818 USER MOD Single : A 624 GLN : amide:sc= -1.05 X(o=-1.1,f=-0.67) USER MOD Single : A 633 HIS : no HE2:sc= -0.597! C(o=-0.6!,f=-4.5!) USER MOD Single : A 634 TYR OH : rot 84:sc= 0.927 USER MOD Single : A 638 TYR OH : rot 42:sc= 1.17 USER MOD Single : A 642 SER OG : rot 78:sc= 0.975 USER MOD Single : A 643 SER OG : rot 93:sc= 0.195 USER MOD Single : A 646 LYS NZ :NH3+ -123:sc= -0.277 (180deg=-0.5) USER MOD Single : A 653 SER OG : rot 142:sc= 1.21 USER MOD Single : A 655 SER OG : rot -150:sc= -0.196 USER MOD Single : A 657 HIS : no HE2:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : A 661 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 666 ASN : amide:sc= 0.347 K(o=0.35,f=-3.9!) USER MOD Single : A 669 TYR OH : rot 73:sc= -0.095 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 678 GLN : amide:sc= 0.476 K(o=0.48,f=-5.1!) USER MOD Single : A 679 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 681 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0854) USER MOD Single : A 682 SER OG : rot 81:sc= 0.905 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=-0.015) USER MOD Single : A 691 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 692 HIS : no HE2:sc=-0.00619 X(o=-0.0062,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 -0.380 -3.028 -3.646 1.00 25.00 N ATOM 52 CA VAL A 598 -1.009 -2.280 -4.736 1.00 25.00 C ATOM 53 C VAL A 598 -0.093 -2.375 -5.957 1.00 25.00 C ATOM 54 O VAL A 598 1.095 -2.070 -5.887 1.00 25.00 O ATOM 55 CB VAL A 598 -1.334 -0.791 -4.305 1.00 25.00 C ATOM 56 CG1 VAL A 598 -0.471 -0.350 -3.114 1.00 25.00 C ATOM 57 CG2 VAL A 598 -1.174 0.206 -5.470 1.00 25.00 C ATOM 0 HA VAL A 598 -1.977 -2.711 -4.993 1.00 25.00 H new ATOM 0 HB VAL A 598 -2.381 -0.784 -4.002 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -0.720 0.676 -2.845 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -0.662 -1.005 -2.264 1.00 25.00 H new ATOM 0 HG13 VAL A 598 0.583 -0.408 -3.387 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -1.408 1.212 -5.123 1.00 25.00 H new ATOM 0 HG22 VAL A 598 -0.147 0.178 -5.835 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -1.853 -0.066 -6.278 1.00 25.00 H new ATOM 67 N ARG A 599 -0.657 -2.823 -7.074 1.00 25.00 N ATOM 68 CA ARG A 599 0.094 -3.016 -8.312 1.00 25.00 C ATOM 69 C ARG A 599 -0.060 -1.781 -9.193 1.00 25.00 C ATOM 70 O ARG A 599 -0.973 -0.966 -8.987 1.00 25.00 O ATOM 71 CB ARG A 599 -0.422 -4.273 -9.037 1.00 25.00 C ATOM 72 CG ARG A 599 -1.934 -4.258 -9.245 1.00 25.00 C ATOM 73 CD ARG A 599 -2.469 -5.497 -9.934 1.00 25.00 C ATOM 74 NE ARG A 599 -3.941 -5.492 -9.867 1.00 25.00 N ATOM 75 CZ ARG A 599 -4.759 -6.266 -10.564 1.00 25.00 C ATOM 76 NH1 ARG A 599 -4.326 -7.162 -11.416 1.00 25.00 N ATOM 77 NH2 ARG A 599 -6.043 -6.119 -10.398 1.00 25.00 N ATOM 0 H ARG A 599 -1.646 -3.062 -7.148 1.00 25.00 H new ATOM 0 HA ARG A 599 1.152 -3.156 -8.088 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.072 -4.357 -10.005 1.00 25.00 H new ATOM 0 HB3 ARG A 599 -0.148 -5.157 -8.461 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.423 -4.152 -8.277 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -2.202 -3.381 -9.835 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -2.141 -5.520 -10.973 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -2.074 -6.393 -9.455 1.00 25.00 H new ATOM 0 HE ARG A 599 -4.371 -4.829 -9.222 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -3.324 -7.284 -11.563 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -4.991 -7.738 -11.933 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -6.396 -5.421 -9.744 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -6.695 -6.702 -10.922 1.00 25.00 H new ATOM 91 N GLU A 600 0.821 -1.658 -10.169 1.00 25.00 N ATOM 92 CA GLU A 600 0.787 -0.545 -11.111 1.00 25.00 C ATOM 93 C GLU A 600 -0.469 -0.644 -11.988 1.00 25.00 C ATOM 94 O GLU A 600 -1.019 -1.739 -12.175 1.00 25.00 O ATOM 95 CB GLU A 600 2.037 -0.577 -11.997 1.00 25.00 C ATOM 96 CG GLU A 600 3.316 -0.256 -11.245 1.00 25.00 C ATOM 97 CD GLU A 600 4.514 -0.102 -12.178 1.00 25.00 C ATOM 98 OE1 GLU A 600 5.069 1.023 -12.273 1.00 25.00 O ATOM 99 OE2 GLU A 600 4.905 -1.106 -12.808 1.00 25.00 O ATOM 0 H GLU A 600 1.578 -2.321 -10.334 1.00 25.00 H new ATOM 0 HA GLU A 600 0.764 0.392 -10.555 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.128 -1.565 -12.449 1.00 25.00 H new ATOM 0 HB3 GLU A 600 1.914 0.136 -12.812 1.00 25.00 H new ATOM 0 HG2 GLU A 600 3.180 0.665 -10.677 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.519 -1.048 -10.524 1.00 25.00 H new ATOM 106 N PRO A 601 -0.945 0.494 -12.527 1.00 25.00 N ATOM 107 CA PRO A 601 -2.127 0.424 -13.395 1.00 25.00 C ATOM 108 C PRO A 601 -1.899 -0.270 -14.744 1.00 25.00 C ATOM 109 O PRO A 601 -0.787 -0.340 -15.263 1.00 25.00 O ATOM 110 CB PRO A 601 -2.489 1.897 -13.594 1.00 25.00 C ATOM 111 CG PRO A 601 -1.224 2.633 -13.407 1.00 25.00 C ATOM 112 CD PRO A 601 -0.462 1.883 -12.374 1.00 25.00 C ATOM 0 HA PRO A 601 -2.908 -0.184 -12.939 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.903 2.070 -14.587 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -3.242 2.218 -12.875 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.664 2.690 -14.340 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.412 3.657 -13.086 1.00 25.00 H new ATOM 0 HD2 PRO A 601 0.613 1.954 -12.538 1.00 25.00 H new ATOM 0 HD3 PRO A 601 -0.658 2.268 -11.373 1.00 25.00 H new ATOM 120 N SER A 602 -2.983 -0.771 -15.306 1.00 25.00 N ATOM 121 CA SER A 602 -2.981 -1.440 -16.604 1.00 25.00 C ATOM 122 C SER A 602 -2.892 -0.391 -17.705 1.00 25.00 C ATOM 123 O SER A 602 -3.241 0.767 -17.489 1.00 25.00 O ATOM 124 CB SER A 602 -4.218 -2.325 -16.784 1.00 25.00 C ATOM 125 OG SER A 602 -5.333 -1.595 -17.252 1.00 25.00 O ATOM 0 H SER A 602 -3.905 -0.727 -14.872 1.00 25.00 H new ATOM 0 HA SER A 602 -2.113 -2.098 -16.660 1.00 25.00 H new ATOM 0 HB2 SER A 602 -3.990 -3.127 -17.486 1.00 25.00 H new ATOM 0 HB3 SER A 602 -4.467 -2.796 -15.833 1.00 25.00 H new ATOM 0 HG SER A 602 -5.324 -0.697 -16.860 1.00 25.00 H new ATOM 131 N ALA A 603 -2.382 -0.780 -18.866 1.00 25.00 N ATOM 132 CA ALA A 603 -2.250 0.145 -19.991 1.00 25.00 C ATOM 133 C ALA A 603 -3.590 0.871 -20.265 1.00 25.00 C ATOM 134 O ALA A 603 -4.674 0.281 -20.113 1.00 25.00 O ATOM 135 CB ALA A 603 -1.787 -0.621 -21.243 1.00 25.00 C ATOM 0 H ALA A 603 -2.053 -1.727 -19.056 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.504 0.899 -19.739 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -1.690 0.072 -22.079 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -0.823 -1.090 -21.047 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.520 -1.389 -21.492 1.00 25.00 H new ATOM 141 N PRO A 604 -3.534 2.157 -20.658 1.00 25.00 N ATOM 142 CA PRO A 604 -4.782 2.891 -20.877 1.00 25.00 C ATOM 143 C PRO A 604 -5.607 2.376 -22.040 1.00 25.00 C ATOM 144 O PRO A 604 -5.111 1.694 -22.934 1.00 25.00 O ATOM 145 CB PRO A 604 -4.299 4.326 -21.109 1.00 25.00 C ATOM 146 CG PRO A 604 -2.970 4.172 -21.637 1.00 25.00 C ATOM 147 CD PRO A 604 -2.370 3.022 -20.914 1.00 25.00 C ATOM 0 HA PRO A 604 -5.465 2.786 -20.034 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -4.946 4.855 -21.808 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.295 4.899 -20.182 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -2.996 3.986 -22.711 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.383 5.078 -21.484 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -1.614 2.516 -21.515 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -1.886 3.334 -19.988 1.00 25.00 H new ATOM 155 N LYS A 605 -6.891 2.701 -21.995 1.00 25.00 N ATOM 156 CA LYS A 605 -7.855 2.198 -22.974 1.00 25.00 C ATOM 157 C LYS A 605 -7.881 3.129 -24.174 1.00 25.00 C ATOM 158 O LYS A 605 -7.610 4.313 -24.040 1.00 25.00 O ATOM 159 CB LYS A 605 -9.236 2.101 -22.311 1.00 25.00 C ATOM 160 CG LYS A 605 -9.587 0.687 -21.763 1.00 25.00 C ATOM 161 CD LYS A 605 -8.530 0.066 -20.799 1.00 25.00 C ATOM 162 CE LYS A 605 -8.404 0.804 -19.460 1.00 25.00 C ATOM 163 NZ LYS A 605 -7.298 0.196 -18.638 1.00 25.00 N ATOM 0 H LYS A 605 -7.295 3.315 -21.288 1.00 25.00 H new ATOM 0 HA LYS A 605 -7.568 1.205 -23.320 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.283 2.817 -21.491 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -9.995 2.396 -23.036 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -10.542 0.744 -21.241 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.726 0.012 -22.607 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -8.794 -0.974 -20.607 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -7.559 0.062 -21.294 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -8.199 1.860 -19.635 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -9.346 0.748 -18.915 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -7.140 0.773 -17.787 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -7.565 -0.769 -18.357 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -6.424 0.164 -19.201 1.00 25.00 H new ATOM 177 N LEU A 606 -8.185 2.601 -25.346 1.00 25.00 N ATOM 178 CA LEU A 606 -8.200 3.408 -26.560 1.00 25.00 C ATOM 179 C LEU A 606 -9.309 2.921 -27.471 1.00 25.00 C ATOM 180 O LEU A 606 -9.271 1.801 -27.955 1.00 25.00 O ATOM 181 CB LEU A 606 -6.834 3.311 -27.270 1.00 25.00 C ATOM 182 CG LEU A 606 -6.577 4.165 -28.531 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.089 3.498 -29.814 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.174 5.565 -28.399 1.00 25.00 C ATOM 0 H LEU A 606 -8.425 1.620 -25.486 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.383 4.452 -26.305 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.066 3.565 -26.540 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.680 2.267 -27.544 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.493 4.252 -28.612 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -6.881 4.143 -30.667 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.586 2.541 -29.952 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.164 3.335 -29.735 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -6.972 6.134 -29.306 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.251 5.489 -28.251 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.726 6.073 -27.545 1.00 25.00 H new ATOM 196 N GLU A 607 -10.289 3.784 -27.703 1.00 25.00 N ATOM 197 CA GLU A 607 -11.421 3.438 -28.567 1.00 25.00 C ATOM 198 C GLU A 607 -11.354 4.192 -29.902 1.00 25.00 C ATOM 199 O GLU A 607 -12.163 3.967 -30.790 1.00 25.00 O ATOM 200 CB GLU A 607 -12.746 3.728 -27.851 1.00 25.00 C ATOM 201 CG GLU A 607 -12.757 3.349 -26.361 1.00 25.00 C ATOM 202 CD GLU A 607 -12.239 1.948 -26.068 1.00 25.00 C ATOM 203 OE1 GLU A 607 -11.299 1.841 -25.241 1.00 25.00 O ATOM 204 OE2 GLU A 607 -12.758 0.971 -26.636 1.00 25.00 O ATOM 0 H GLU A 607 -10.328 4.724 -27.310 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.365 2.371 -28.784 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -12.971 4.790 -27.945 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.545 3.187 -28.357 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -12.153 4.070 -25.810 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -13.776 3.433 -25.984 1.00 25.00 H new ATOM 211 N GLY A 608 -10.369 5.080 -30.029 1.00 25.00 N ATOM 212 CA GLY A 608 -10.114 5.779 -31.290 1.00 25.00 C ATOM 213 C GLY A 608 -11.281 6.553 -31.877 1.00 25.00 C ATOM 214 O GLY A 608 -11.504 6.518 -33.084 1.00 25.00 O ATOM 0 H GLY A 608 -9.733 5.333 -29.273 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.287 6.472 -31.136 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.784 5.047 -32.027 1.00 25.00 H new ATOM 218 N GLN A 609 -12.040 7.245 -31.041 1.00 25.00 N ATOM 219 CA GLN A 609 -13.231 7.942 -31.507 1.00 25.00 C ATOM 220 C GLN A 609 -12.823 9.236 -32.187 1.00 25.00 C ATOM 221 O GLN A 609 -12.310 10.155 -31.546 1.00 25.00 O ATOM 222 CB GLN A 609 -14.160 8.212 -30.332 1.00 25.00 C ATOM 223 CG GLN A 609 -14.673 6.928 -29.673 1.00 25.00 C ATOM 224 CD GLN A 609 -15.532 6.106 -30.606 1.00 25.00 C ATOM 225 OE1 GLN A 609 -16.600 6.526 -31.007 1.00 25.00 O ATOM 226 NE2 GLN A 609 -15.062 4.943 -30.959 1.00 25.00 N ATOM 0 H GLN A 609 -11.855 7.339 -30.042 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.765 7.324 -32.229 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.634 8.811 -29.589 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -15.009 8.803 -30.675 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -13.825 6.329 -29.342 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -15.249 7.184 -28.784 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -14.161 4.627 -30.600 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -15.595 4.349 -31.594 1.00 25.00 H new ATOM 235 N MET A 610 -13.043 9.284 -33.491 1.00 25.00 N ATOM 236 CA MET A 610 -12.644 10.411 -34.324 1.00 25.00 C ATOM 237 C MET A 610 -13.209 11.742 -33.841 1.00 25.00 C ATOM 238 O MET A 610 -14.321 11.829 -33.319 1.00 25.00 O ATOM 239 CB MET A 610 -13.052 10.161 -35.788 1.00 25.00 C ATOM 240 CG MET A 610 -14.566 10.040 -36.056 1.00 25.00 C ATOM 241 SD MET A 610 -15.326 8.508 -35.425 1.00 25.00 S ATOM 242 CE MET A 610 -14.651 7.251 -36.538 1.00 25.00 C ATOM 0 H MET A 610 -13.507 8.537 -34.007 1.00 25.00 H new ATOM 0 HA MET A 610 -11.559 10.486 -34.250 1.00 25.00 H new ATOM 0 HB2 MET A 610 -12.659 10.974 -36.398 1.00 25.00 H new ATOM 0 HB3 MET A 610 -12.569 9.245 -36.128 1.00 25.00 H new ATOM 0 HG2 MET A 610 -15.071 10.894 -35.605 1.00 25.00 H new ATOM 0 HG3 MET A 610 -14.738 10.100 -37.131 1.00 25.00 H new ATOM 0 HE1 MET A 610 -15.144 6.297 -36.351 1.00 25.00 H new ATOM 0 HE2 MET A 610 -14.821 7.551 -37.572 1.00 25.00 H new ATOM 0 HE3 MET A 610 -13.580 7.146 -36.362 1.00 25.00 H new ATOM 252 N GLY A 611 -12.417 12.788 -34.013 1.00 25.00 N ATOM 253 CA GLY A 611 -12.838 14.111 -33.607 1.00 25.00 C ATOM 254 C GLY A 611 -13.587 14.821 -34.706 1.00 25.00 C ATOM 255 O GLY A 611 -12.981 15.423 -35.591 1.00 25.00 O ATOM 0 H GLY A 611 -11.486 12.744 -34.428 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.473 14.036 -32.724 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -11.965 14.699 -33.323 1.00 25.00 H new ATOM 259 N GLU A 612 -14.909 14.765 -34.635 1.00 25.00 N ATOM 260 CA GLU A 612 -15.790 15.469 -35.576 1.00 25.00 C ATOM 261 C GLU A 612 -15.586 16.982 -35.407 1.00 25.00 C ATOM 262 O GLU A 612 -15.927 17.782 -36.265 1.00 25.00 O ATOM 263 CB GLU A 612 -17.241 15.067 -35.288 1.00 25.00 C ATOM 264 CG GLU A 612 -18.241 15.467 -36.364 1.00 25.00 C ATOM 265 CD GLU A 612 -19.635 14.944 -36.059 1.00 25.00 C ATOM 266 OE1 GLU A 612 -20.571 15.760 -35.931 1.00 25.00 O ATOM 267 OE2 GLU A 612 -19.790 13.709 -35.937 1.00 25.00 O ATOM 0 H GLU A 612 -15.409 14.231 -33.924 1.00 25.00 H new ATOM 0 HA GLU A 612 -15.555 15.202 -36.606 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -17.284 13.986 -35.156 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -17.547 15.516 -34.343 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -18.270 16.553 -36.448 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -17.911 15.082 -37.329 1.00 25.00 H new ATOM 274 N ASP A 613 -14.973 17.337 -34.284 1.00 25.00 N ATOM 275 CA ASP A 613 -14.605 18.712 -33.953 1.00 25.00 C ATOM 276 C ASP A 613 -13.641 19.288 -34.990 1.00 25.00 C ATOM 277 O ASP A 613 -13.523 20.504 -35.135 1.00 25.00 O ATOM 278 CB ASP A 613 -13.841 18.751 -32.610 1.00 25.00 C ATOM 279 CG ASP A 613 -14.320 17.706 -31.603 1.00 25.00 C ATOM 280 OD1 ASP A 613 -14.077 16.490 -31.818 1.00 25.00 O ATOM 281 OD2 ASP A 613 -14.910 18.093 -30.579 1.00 25.00 O ATOM 0 H ASP A 613 -14.712 16.665 -33.562 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.532 19.284 -33.915 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -12.779 18.599 -32.801 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -13.947 19.743 -32.170 1.00 25.00 H new ATOM 286 N GLY A 614 -12.939 18.398 -35.680 1.00 25.00 N ATOM 287 CA GLY A 614 -11.911 18.793 -36.627 1.00 25.00 C ATOM 288 C GLY A 614 -10.634 19.137 -35.883 1.00 25.00 C ATOM 289 O GLY A 614 -10.690 19.683 -34.779 1.00 25.00 O ATOM 0 H GLY A 614 -13.067 17.389 -35.598 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.725 17.985 -37.334 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -12.248 19.652 -37.207 1.00 25.00 H new ATOM 293 N ASN A 615 -9.479 18.812 -36.466 1.00 25.00 N ATOM 294 CA ASN A 615 -8.170 19.121 -35.860 1.00 25.00 C ATOM 295 C ASN A 615 -8.075 18.512 -34.436 1.00 25.00 C ATOM 296 O ASN A 615 -7.361 19.035 -33.569 1.00 25.00 O ATOM 297 CB ASN A 615 -8.011 20.661 -35.842 1.00 25.00 C ATOM 298 CG ASN A 615 -6.587 21.117 -36.010 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.210 21.628 -37.046 1.00 25.00 O ATOM 300 ND2 ASN A 615 -5.804 20.954 -35.001 1.00 25.00 N ATOM 0 H ASN A 615 -9.417 18.331 -37.364 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.359 18.681 -36.441 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.619 21.091 -36.638 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.400 21.048 -34.900 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -4.832 21.258 -35.055 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.156 20.521 -34.147 1.00 25.00 H new ATOM 307 N SER A 616 -8.828 17.432 -34.202 1.00 25.00 N ATOM 308 CA SER A 616 -8.974 16.831 -32.870 1.00 25.00 C ATOM 309 C SER A 616 -9.319 15.334 -32.872 1.00 25.00 C ATOM 310 O SER A 616 -9.662 14.782 -33.915 1.00 25.00 O ATOM 311 CB SER A 616 -10.134 17.533 -32.176 1.00 25.00 C ATOM 312 OG SER A 616 -10.024 18.936 -32.293 1.00 25.00 O ATOM 0 H SER A 616 -9.354 16.949 -34.930 1.00 25.00 H new ATOM 0 HA SER A 616 -8.008 16.945 -32.377 1.00 25.00 H new ATOM 0 HB2 SER A 616 -11.077 17.202 -32.612 1.00 25.00 H new ATOM 0 HB3 SER A 616 -10.154 17.254 -31.123 1.00 25.00 H new ATOM 0 HG SER A 616 -10.457 19.230 -33.121 1.00 25.00 H new ATOM 318 N ILE A 617 -9.256 14.698 -31.699 1.00 25.00 N ATOM 319 CA ILE A 617 -9.684 13.293 -31.515 1.00 25.00 C ATOM 320 C ILE A 617 -9.979 13.000 -30.030 1.00 25.00 C ATOM 321 O ILE A 617 -9.461 13.685 -29.146 1.00 25.00 O ATOM 322 CB ILE A 617 -8.609 12.294 -32.053 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.217 10.885 -32.182 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.343 12.273 -31.158 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.686 10.068 -33.315 1.00 25.00 C ATOM 0 H ILE A 617 -8.908 15.135 -30.846 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.599 13.153 -32.091 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.296 12.635 -33.040 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -9.043 10.344 -31.252 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.297 10.981 -32.298 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.621 11.566 -31.566 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -6.901 13.269 -31.130 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.617 11.969 -30.148 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.175 9.094 -33.322 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -8.884 10.580 -34.257 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.611 9.933 -33.194 1.00 25.00 H new ATOM 337 N LYS A 618 -10.796 11.985 -29.757 1.00 25.00 N ATOM 338 CA LYS A 618 -11.101 11.571 -28.384 1.00 25.00 C ATOM 339 C LYS A 618 -10.424 10.227 -28.126 1.00 25.00 C ATOM 340 O LYS A 618 -10.582 9.285 -28.906 1.00 25.00 O ATOM 341 CB LYS A 618 -12.615 11.389 -28.173 1.00 25.00 C ATOM 342 CG LYS A 618 -13.497 12.592 -28.521 1.00 25.00 C ATOM 343 CD LYS A 618 -14.016 12.531 -29.970 1.00 25.00 C ATOM 344 CE LYS A 618 -15.332 13.308 -30.151 1.00 25.00 C ATOM 345 NZ LYS A 618 -15.212 14.790 -29.882 1.00 25.00 N ATOM 0 H LYS A 618 -11.263 11.429 -30.473 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.743 12.344 -27.704 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -12.944 10.539 -28.771 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -12.786 11.130 -27.128 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -14.343 12.631 -27.835 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -12.928 13.511 -28.379 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.261 12.938 -30.642 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -14.169 11.490 -30.256 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -15.691 13.162 -31.170 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -16.085 12.888 -29.484 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -16.144 15.172 -29.623 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -14.543 14.948 -29.101 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -14.866 15.271 -30.737 1.00 25.00 H new ATOM 359 N VAL A 619 -9.684 10.124 -27.035 1.00 25.00 N ATOM 360 CA VAL A 619 -9.029 8.866 -26.657 1.00 25.00 C ATOM 361 C VAL A 619 -9.526 8.595 -25.237 1.00 25.00 C ATOM 362 O VAL A 619 -9.793 9.534 -24.486 1.00 25.00 O ATOM 363 CB VAL A 619 -7.449 8.931 -26.819 1.00 25.00 C ATOM 364 CG1 VAL A 619 -6.977 10.358 -27.168 1.00 25.00 C ATOM 365 CG2 VAL A 619 -6.713 8.405 -25.575 1.00 25.00 C ATOM 0 H VAL A 619 -9.517 10.895 -26.388 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.286 8.035 -27.314 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.195 8.273 -27.650 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -5.892 10.367 -27.272 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.434 10.673 -28.106 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.271 11.043 -26.373 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.637 8.470 -25.734 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -6.988 9.006 -24.708 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -6.992 7.366 -25.400 1.00 25.00 H new ATOM 375 N ASN A 620 -9.700 7.330 -24.878 1.00 25.00 N ATOM 376 CA ASN A 620 -10.282 6.992 -23.582 1.00 25.00 C ATOM 377 C ASN A 620 -9.263 6.974 -22.461 1.00 25.00 C ATOM 378 O ASN A 620 -8.075 6.760 -22.668 1.00 25.00 O ATOM 379 CB ASN A 620 -11.011 5.654 -23.648 1.00 25.00 C ATOM 380 CG ASN A 620 -12.497 5.827 -23.819 1.00 25.00 C ATOM 381 OD1 ASN A 620 -13.271 5.481 -22.948 1.00 25.00 O ATOM 382 ND2 ASN A 620 -12.899 6.379 -24.936 1.00 25.00 N ATOM 0 H ASN A 620 -9.450 6.528 -25.457 1.00 25.00 H new ATOM 0 HA ASN A 620 -10.996 7.783 -23.352 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.617 5.067 -24.478 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -10.815 5.089 -22.737 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -13.894 6.533 -25.100 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.217 6.655 -25.642 1.00 25.00 H new ATOM 389 N LEU A 621 -9.757 7.233 -21.268 1.00 25.00 N ATOM 390 CA LEU A 621 -8.955 7.287 -20.065 1.00 25.00 C ATOM 391 C LEU A 621 -9.510 6.353 -19.002 1.00 25.00 C ATOM 392 O LEU A 621 -10.689 6.029 -19.009 1.00 25.00 O ATOM 393 CB LEU A 621 -8.822 8.719 -19.588 1.00 25.00 C ATOM 394 CG LEU A 621 -7.398 9.172 -19.252 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.391 8.984 -20.395 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.478 10.650 -18.891 1.00 25.00 C ATOM 0 H LEU A 621 -10.747 7.415 -21.105 1.00 25.00 H new ATOM 0 HA LEU A 621 -7.948 6.932 -20.286 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.222 9.379 -20.358 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.444 8.848 -18.702 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.031 8.551 -18.434 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.408 9.329 -20.074 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.336 7.928 -20.661 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.713 9.561 -21.262 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.483 11.018 -18.643 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -7.872 11.211 -19.739 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.137 10.780 -18.033 1.00 25.00 H new ATOM 408 N ILE A 622 -8.642 5.876 -18.130 1.00 25.00 N ATOM 409 CA ILE A 622 -9.024 4.977 -17.041 1.00 25.00 C ATOM 410 C ILE A 622 -10.125 5.641 -16.182 1.00 25.00 C ATOM 411 O ILE A 622 -10.033 6.802 -15.821 1.00 25.00 O ATOM 412 CB ILE A 622 -7.781 4.660 -16.153 1.00 25.00 C ATOM 413 CG1 ILE A 622 -6.771 3.760 -16.888 1.00 25.00 C ATOM 414 CG2 ILE A 622 -8.179 3.972 -14.870 1.00 25.00 C ATOM 415 CD1 ILE A 622 -5.870 4.452 -17.882 1.00 25.00 C ATOM 0 H ILE A 622 -7.647 6.098 -18.151 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.407 4.047 -17.462 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.317 5.620 -15.928 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -6.146 3.266 -16.144 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.323 2.979 -17.410 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -7.288 3.766 -14.276 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.851 4.617 -14.304 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.685 3.035 -15.102 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -5.202 3.721 -18.338 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -6.476 4.922 -18.657 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.281 5.213 -17.371 1.00 25.00 H new ATOM 427 N LYS A 623 -11.168 4.873 -15.884 1.00 25.00 N ATOM 428 CA LYS A 623 -12.331 5.347 -15.124 1.00 25.00 C ATOM 429 C LYS A 623 -12.516 4.659 -13.775 1.00 25.00 C ATOM 430 O LYS A 623 -13.382 5.025 -12.992 1.00 25.00 O ATOM 431 CB LYS A 623 -13.594 5.044 -15.938 1.00 25.00 C ATOM 432 CG LYS A 623 -13.467 5.305 -17.435 1.00 25.00 C ATOM 433 CD LYS A 623 -14.522 4.582 -18.175 1.00 25.00 C ATOM 434 CE LYS A 623 -14.166 4.594 -19.647 1.00 25.00 C ATOM 435 NZ LYS A 623 -14.181 5.976 -20.229 1.00 25.00 N ATOM 0 H LYS A 623 -11.235 3.894 -16.163 1.00 25.00 H new ATOM 0 HA LYS A 623 -12.164 6.409 -14.944 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -13.865 3.999 -15.787 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -14.415 5.645 -15.547 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -13.543 6.374 -17.632 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -12.485 4.986 -17.784 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -14.605 3.557 -17.813 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -15.490 5.056 -18.015 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -13.177 4.157 -19.782 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -14.869 3.965 -20.193 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -13.915 5.933 -21.233 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -15.136 6.379 -20.141 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -13.503 6.576 -19.717 1.00 25.00 H new ATOM 449 N GLN A 624 -11.721 3.630 -13.542 1.00 25.00 N ATOM 450 CA GLN A 624 -11.862 2.765 -12.371 1.00 25.00 C ATOM 451 C GLN A 624 -10.486 2.348 -11.866 1.00 25.00 C ATOM 452 O GLN A 624 -9.493 2.635 -12.520 1.00 25.00 O ATOM 453 CB GLN A 624 -12.666 1.511 -12.768 1.00 25.00 C ATOM 454 CG GLN A 624 -11.991 0.616 -13.844 1.00 25.00 C ATOM 455 CD GLN A 624 -12.055 1.202 -15.251 1.00 25.00 C ATOM 456 OE1 GLN A 624 -13.114 1.319 -15.843 1.00 25.00 O ATOM 457 NE2 GLN A 624 -10.918 1.575 -15.781 1.00 25.00 N ATOM 0 H GLN A 624 -10.954 3.365 -14.159 1.00 25.00 H new ATOM 0 HA GLN A 624 -12.382 3.305 -11.580 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -12.841 0.911 -11.875 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.642 1.825 -13.137 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -10.947 0.459 -13.572 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.471 -0.363 -13.844 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -10.050 1.463 -15.257 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -10.900 1.978 -16.718 1.00 25.00 H new ATOM 466 N ASP A 625 -10.419 1.662 -10.732 1.00 25.00 N ATOM 467 CA ASP A 625 -9.137 1.151 -10.224 1.00 25.00 C ATOM 468 C ASP A 625 -8.584 0.140 -11.226 1.00 25.00 C ATOM 469 O ASP A 625 -9.104 -0.959 -11.379 1.00 25.00 O ATOM 470 CB ASP A 625 -9.292 0.482 -8.854 1.00 25.00 C ATOM 471 CG ASP A 625 -9.244 1.477 -7.715 1.00 25.00 C ATOM 472 OD1 ASP A 625 -8.620 1.163 -6.683 1.00 25.00 O ATOM 473 OD2 ASP A 625 -9.814 2.579 -7.852 1.00 25.00 O ATOM 0 H ASP A 625 -11.225 1.444 -10.146 1.00 25.00 H new ATOM 0 HA ASP A 625 -8.454 1.992 -10.104 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -10.239 -0.057 -8.822 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -8.500 -0.255 -8.722 1.00 25.00 H new ATOM 478 N ASP A 626 -7.530 0.539 -11.918 1.00 25.00 N ATOM 479 CA ASP A 626 -6.924 -0.258 -12.989 1.00 25.00 C ATOM 480 C ASP A 626 -5.939 -1.309 -12.495 1.00 25.00 C ATOM 481 O ASP A 626 -5.338 -2.053 -13.274 1.00 25.00 O ATOM 482 CB ASP A 626 -6.196 0.708 -13.919 1.00 25.00 C ATOM 483 CG ASP A 626 -6.746 0.696 -15.305 1.00 25.00 C ATOM 484 OD1 ASP A 626 -5.938 0.719 -16.233 1.00 25.00 O ATOM 485 OD2 ASP A 626 -7.977 0.683 -15.488 1.00 25.00 O ATOM 0 H ASP A 626 -7.062 1.431 -11.757 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.723 -0.805 -13.490 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -6.265 1.718 -13.514 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -5.138 0.448 -13.950 1.00 25.00 H new ATOM 490 N GLY A 627 -5.754 -1.370 -11.194 1.00 25.00 N ATOM 491 CA GLY A 627 -4.793 -2.304 -10.638 1.00 25.00 C ATOM 492 C GLY A 627 -4.871 -2.467 -9.144 1.00 25.00 C ATOM 493 O GLY A 627 -5.631 -3.286 -8.638 1.00 25.00 O ATOM 0 H GLY A 627 -6.246 -0.796 -10.509 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -4.940 -3.278 -11.105 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -3.789 -1.972 -10.902 1.00 25.00 H new ATOM 497 N GLY A 628 -4.050 -1.702 -8.438 1.00 25.00 N ATOM 498 CA GLY A 628 -4.024 -1.771 -6.979 1.00 25.00 C ATOM 499 C GLY A 628 -4.690 -0.643 -6.226 1.00 25.00 C ATOM 500 O GLY A 628 -5.004 -0.804 -5.066 1.00 25.00 O ATOM 0 H GLY A 628 -3.398 -1.031 -8.845 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -4.496 -2.706 -6.676 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -2.983 -1.822 -6.661 1.00 25.00 H new ATOM 504 N SER A 629 -4.854 0.510 -6.866 1.00 25.00 N ATOM 505 CA SER A 629 -5.398 1.685 -6.203 1.00 25.00 C ATOM 506 C SER A 629 -5.901 2.603 -7.301 1.00 25.00 C ATOM 507 O SER A 629 -5.571 2.378 -8.481 1.00 25.00 O ATOM 508 CB SER A 629 -4.273 2.392 -5.424 1.00 25.00 C ATOM 509 OG SER A 629 -3.362 3.011 -6.325 1.00 25.00 O ATOM 0 H SER A 629 -4.616 0.654 -7.847 1.00 25.00 H new ATOM 0 HA SER A 629 -6.195 1.421 -5.508 1.00 25.00 H new ATOM 0 HB2 SER A 629 -4.699 3.140 -4.756 1.00 25.00 H new ATOM 0 HB3 SER A 629 -3.745 1.671 -4.800 1.00 25.00 H new ATOM 0 HG SER A 629 -2.653 3.458 -5.817 1.00 25.00 H new ATOM 515 N PRO A 630 -6.664 3.653 -6.954 1.00 25.00 N ATOM 516 CA PRO A 630 -7.012 4.572 -8.037 1.00 25.00 C ATOM 517 C PRO A 630 -5.781 5.316 -8.551 1.00 25.00 C ATOM 518 O PRO A 630 -4.709 5.332 -7.919 1.00 25.00 O ATOM 519 CB PRO A 630 -8.006 5.521 -7.372 1.00 25.00 C ATOM 520 CG PRO A 630 -7.601 5.531 -5.960 1.00 25.00 C ATOM 521 CD PRO A 630 -7.236 4.107 -5.672 1.00 25.00 C ATOM 0 HA PRO A 630 -7.422 4.071 -8.914 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -7.957 6.519 -7.808 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -9.032 5.171 -7.490 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.757 6.200 -5.793 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -8.411 5.873 -5.316 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -6.516 4.030 -4.858 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -8.106 3.516 -5.385 1.00 25.00 H new ATOM 529 N ILE A 631 -5.942 5.922 -9.713 1.00 25.00 N ATOM 530 CA ILE A 631 -4.874 6.652 -10.385 1.00 25.00 C ATOM 531 C ILE A 631 -4.652 7.986 -9.660 1.00 25.00 C ATOM 532 O ILE A 631 -5.547 8.488 -8.985 1.00 25.00 O ATOM 533 CB ILE A 631 -5.265 6.833 -11.902 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.710 5.658 -12.733 1.00 25.00 C ATOM 535 CG2 ILE A 631 -4.737 8.136 -12.507 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.292 4.285 -12.389 1.00 25.00 C ATOM 0 H ILE A 631 -6.825 5.923 -10.224 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.931 6.107 -10.353 1.00 25.00 H new ATOM 0 HB ILE A 631 -6.354 6.862 -11.934 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -4.896 5.860 -13.788 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.629 5.620 -12.602 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -5.040 8.201 -13.552 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -5.146 8.984 -11.958 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -3.649 8.152 -12.443 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.838 3.527 -13.028 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -5.083 4.052 -11.345 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.370 4.296 -12.549 1.00 25.00 H new ATOM 548 N ARG A 632 -3.466 8.561 -9.812 1.00 25.00 N ATOM 549 CA ARG A 632 -3.173 9.892 -9.292 1.00 25.00 C ATOM 550 C ARG A 632 -3.288 10.892 -10.449 1.00 25.00 C ATOM 551 O ARG A 632 -4.047 11.863 -10.365 1.00 25.00 O ATOM 552 CB ARG A 632 -1.755 9.953 -8.728 1.00 25.00 C ATOM 553 CG ARG A 632 -1.624 9.685 -7.220 1.00 25.00 C ATOM 554 CD ARG A 632 -0.326 10.307 -6.717 1.00 25.00 C ATOM 555 NE ARG A 632 -0.411 11.775 -6.764 1.00 25.00 N ATOM 556 CZ ARG A 632 -0.789 12.563 -5.766 1.00 25.00 C ATOM 557 NH1 ARG A 632 -1.114 12.107 -4.580 1.00 25.00 N ATOM 558 NH2 ARG A 632 -0.845 13.848 -5.977 1.00 25.00 N ATOM 0 H ARG A 632 -2.683 8.121 -10.296 1.00 25.00 H new ATOM 0 HA ARG A 632 -3.876 10.129 -8.493 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -1.140 9.228 -9.262 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -1.342 10.939 -8.940 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -2.476 10.108 -6.687 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -1.627 8.612 -7.026 1.00 25.00 H new ATOM 0 HD2 ARG A 632 -0.130 9.980 -5.696 1.00 25.00 H new ATOM 0 HD3 ARG A 632 0.510 9.965 -7.327 1.00 25.00 H new ATOM 0 HE ARG A 632 -0.157 12.227 -7.642 1.00 25.00 H new ATOM 0 HH11 ARG A 632 -1.082 11.105 -4.393 1.00 25.00 H new ATOM 0 HH12 ARG A 632 -1.398 12.755 -3.845 1.00 25.00 H new ATOM 0 HH21 ARG A 632 -0.601 14.226 -6.893 1.00 25.00 H new ATOM 0 HH22 ARG A 632 -1.133 14.476 -5.226 1.00 25.00 H new ATOM 572 N HIS A 633 -2.539 10.650 -11.523 1.00 25.00 N ATOM 573 CA HIS A 633 -2.511 11.547 -12.686 1.00 25.00 C ATOM 574 C HIS A 633 -2.482 10.772 -14.015 1.00 25.00 C ATOM 575 O HIS A 633 -2.197 9.578 -14.041 1.00 25.00 O ATOM 576 CB HIS A 633 -1.238 12.414 -12.655 1.00 25.00 C ATOM 577 CG HIS A 633 -0.889 12.963 -11.302 1.00 25.00 C ATOM 578 ND1 HIS A 633 0.310 12.741 -10.676 1.00 25.00 N ATOM 579 CD2 HIS A 633 -1.592 13.754 -10.443 1.00 25.00 C ATOM 580 CE1 HIS A 633 0.310 13.384 -9.522 1.00 25.00 C ATOM 581 NE2 HIS A 633 -0.831 14.012 -9.312 1.00 25.00 N ATOM 0 H HIS A 633 -1.936 9.832 -11.616 1.00 25.00 H new ATOM 0 HA HIS A 633 -3.416 12.151 -12.629 1.00 25.00 H new ATOM 0 HB2 HIS A 633 -0.400 11.819 -13.018 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -1.363 13.245 -13.349 1.00 25.00 H new ATOM 0 HD1 HIS A 633 1.075 12.174 -11.041 1.00 25.00 H new ATOM 0 HD2 HIS A 633 -2.592 14.124 -10.617 1.00 25.00 H new ATOM 0 HE1 HIS A 633 1.143 13.394 -8.834 1.00 25.00 H new ATOM 589 N TYR A 634 -2.738 11.466 -15.115 1.00 25.00 N ATOM 590 CA TYR A 634 -2.583 10.904 -16.461 1.00 25.00 C ATOM 591 C TYR A 634 -1.650 11.804 -17.228 1.00 25.00 C ATOM 592 O TYR A 634 -1.655 13.023 -17.022 1.00 25.00 O ATOM 593 CB TYR A 634 -3.902 10.854 -17.214 1.00 25.00 C ATOM 594 CG TYR A 634 -4.912 9.977 -16.559 1.00 25.00 C ATOM 595 CD1 TYR A 634 -6.017 10.534 -15.894 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.780 8.581 -16.596 1.00 25.00 C ATOM 597 CE1 TYR A 634 -6.969 9.712 -15.265 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.719 7.759 -15.943 1.00 25.00 C ATOM 599 CZ TYR A 634 -6.807 8.339 -15.274 1.00 25.00 C ATOM 600 OH TYR A 634 -7.708 7.562 -14.610 1.00 25.00 O ATOM 0 H TYR A 634 -3.059 12.434 -15.106 1.00 25.00 H new ATOM 0 HA TYR A 634 -2.203 9.887 -16.368 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -4.305 11.863 -17.298 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.722 10.497 -18.228 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -6.137 11.607 -15.865 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -3.954 8.134 -17.128 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -7.825 10.152 -14.776 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.602 6.685 -15.957 1.00 25.00 H new ATOM 0 HH TYR A 634 -8.486 7.400 -15.184 1.00 25.00 H new ATOM 610 N LEU A 635 -0.854 11.204 -18.100 1.00 25.00 N ATOM 611 CA LEU A 635 0.111 11.943 -18.903 1.00 25.00 C ATOM 612 C LEU A 635 -0.082 11.533 -20.366 1.00 25.00 C ATOM 613 O LEU A 635 -0.079 10.340 -20.681 1.00 25.00 O ATOM 614 CB LEU A 635 1.533 11.609 -18.425 1.00 25.00 C ATOM 615 CG LEU A 635 1.817 11.765 -16.913 1.00 25.00 C ATOM 616 CD1 LEU A 635 3.172 11.147 -16.565 1.00 25.00 C ATOM 617 CD2 LEU A 635 1.786 13.223 -16.456 1.00 25.00 C ATOM 0 H LEU A 635 -0.857 10.198 -18.271 1.00 25.00 H new ATOM 0 HA LEU A 635 -0.037 13.018 -18.802 1.00 25.00 H new ATOM 0 HB2 LEU A 635 1.753 10.579 -18.707 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.232 12.245 -18.969 1.00 25.00 H new ATOM 0 HG LEU A 635 1.020 11.240 -16.386 1.00 25.00 H new ATOM 0 HD11 LEU A 635 3.361 11.263 -15.498 1.00 25.00 H new ATOM 0 HD12 LEU A 635 3.165 10.087 -16.819 1.00 25.00 H new ATOM 0 HD13 LEU A 635 3.957 11.650 -17.129 1.00 25.00 H new ATOM 0 HD21 LEU A 635 1.992 13.274 -15.387 1.00 25.00 H new ATOM 0 HD22 LEU A 635 2.542 13.790 -16.998 1.00 25.00 H new ATOM 0 HD23 LEU A 635 0.802 13.646 -16.656 1.00 25.00 H new ATOM 629 N VAL A 636 -0.261 12.505 -21.254 1.00 25.00 N ATOM 630 CA VAL A 636 -0.457 12.226 -22.687 1.00 25.00 C ATOM 631 C VAL A 636 0.594 12.994 -23.483 1.00 25.00 C ATOM 632 O VAL A 636 0.936 14.118 -23.125 1.00 25.00 O ATOM 633 CB VAL A 636 -1.886 12.657 -23.176 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.192 12.079 -24.570 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.968 12.202 -22.174 1.00 25.00 C ATOM 0 H VAL A 636 -0.276 13.496 -21.014 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.359 11.152 -22.842 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.898 13.745 -23.240 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.187 12.393 -24.884 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.454 12.443 -25.285 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.151 10.991 -24.530 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.950 12.511 -22.533 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -2.942 11.117 -22.078 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.778 12.656 -21.202 1.00 25.00 H new ATOM 645 N ARG A 637 1.115 12.395 -24.546 1.00 25.00 N ATOM 646 CA ARG A 637 2.141 13.022 -25.380 1.00 25.00 C ATOM 647 C ARG A 637 1.836 12.661 -26.829 1.00 25.00 C ATOM 648 O ARG A 637 1.587 11.505 -27.118 1.00 25.00 O ATOM 649 CB ARG A 637 3.504 12.488 -24.936 1.00 25.00 C ATOM 650 CG ARG A 637 4.684 13.005 -25.726 1.00 25.00 C ATOM 651 CD ARG A 637 6.011 12.636 -25.060 1.00 25.00 C ATOM 652 NE ARG A 637 6.232 13.437 -23.845 1.00 25.00 N ATOM 653 CZ ARG A 637 6.090 13.022 -22.590 1.00 25.00 C ATOM 654 NH1 ARG A 637 5.725 11.807 -22.271 1.00 25.00 N ATOM 655 NH2 ARG A 637 6.314 13.861 -21.629 1.00 25.00 N ATOM 0 H ARG A 637 0.841 11.463 -24.857 1.00 25.00 H new ATOM 0 HA ARG A 637 2.152 14.108 -25.283 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.651 12.740 -23.886 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.490 11.400 -25.003 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.656 12.594 -26.735 1.00 25.00 H new ATOM 0 HG3 ARG A 637 4.613 14.088 -25.821 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.012 11.576 -24.806 1.00 25.00 H new ATOM 0 HD3 ARG A 637 6.831 12.797 -25.760 1.00 25.00 H new ATOM 0 HE ARG A 637 6.523 14.405 -23.979 1.00 25.00 H new ATOM 0 HH11 ARG A 637 5.533 11.123 -23.003 1.00 25.00 H new ATOM 0 HH12 ARG A 637 5.632 11.543 -21.290 1.00 25.00 H new ATOM 0 HH21 ARG A 637 6.593 14.818 -21.843 1.00 25.00 H new ATOM 0 HH22 ARG A 637 6.211 13.564 -20.659 1.00 25.00 H new ATOM 669 N TYR A 638 1.836 13.626 -27.735 1.00 25.00 N ATOM 670 CA TYR A 638 1.497 13.348 -29.136 1.00 25.00 C ATOM 671 C TYR A 638 2.285 14.225 -30.093 1.00 25.00 C ATOM 672 O TYR A 638 2.789 15.280 -29.701 1.00 25.00 O ATOM 673 CB TYR A 638 -0.017 13.500 -29.379 1.00 25.00 C ATOM 674 CG TYR A 638 -0.604 14.875 -29.119 1.00 25.00 C ATOM 675 CD1 TYR A 638 -1.044 15.680 -30.191 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.749 15.376 -27.805 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.632 16.952 -29.953 1.00 25.00 C ATOM 678 CE2 TYR A 638 -1.325 16.650 -27.573 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.769 17.419 -28.648 1.00 25.00 C ATOM 680 OH TYR A 638 -2.344 18.638 -28.408 1.00 25.00 O ATOM 0 H TYR A 638 2.063 14.600 -27.536 1.00 25.00 H new ATOM 0 HA TYR A 638 1.775 12.313 -29.335 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.227 13.228 -30.414 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.539 12.780 -28.748 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.933 15.325 -31.205 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.417 14.780 -26.968 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.972 17.555 -30.782 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -1.420 17.025 -26.565 1.00 25.00 H new ATOM 0 HH TYR A 638 -3.129 18.749 -28.985 1.00 25.00 H new ATOM 690 N ARG A 639 2.394 13.769 -31.335 1.00 25.00 N ATOM 691 CA ARG A 639 3.169 14.441 -32.385 1.00 25.00 C ATOM 692 C ARG A 639 2.491 14.102 -33.698 1.00 25.00 C ATOM 693 O ARG A 639 1.789 13.107 -33.778 1.00 25.00 O ATOM 694 CB ARG A 639 4.615 13.920 -32.342 1.00 25.00 C ATOM 695 CG ARG A 639 5.524 14.249 -33.507 1.00 25.00 C ATOM 696 CD ARG A 639 5.677 13.041 -34.407 1.00 25.00 C ATOM 697 NE ARG A 639 6.122 13.425 -35.752 1.00 25.00 N ATOM 698 CZ ARG A 639 6.421 12.578 -36.728 1.00 25.00 C ATOM 699 NH1 ARG A 639 6.341 11.277 -36.581 1.00 25.00 N ATOM 700 NH2 ARG A 639 6.804 13.057 -37.879 1.00 25.00 N ATOM 0 H ARG A 639 1.942 12.911 -31.651 1.00 25.00 H new ATOM 0 HA ARG A 639 3.206 15.523 -32.255 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.082 14.305 -31.435 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.576 12.835 -32.245 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.113 15.084 -34.074 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.500 14.563 -33.139 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.396 12.348 -33.969 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.726 12.513 -34.474 1.00 25.00 H new ATOM 0 HE ARG A 639 6.208 14.422 -35.952 1.00 25.00 H new ATOM 0 HH11 ARG A 639 6.039 10.882 -35.690 1.00 25.00 H new ATOM 0 HH12 ARG A 639 6.580 10.660 -37.357 1.00 25.00 H new ATOM 0 HH21 ARG A 639 6.869 14.066 -38.015 1.00 25.00 H new ATOM 0 HH22 ARG A 639 7.039 12.423 -38.643 1.00 25.00 H new ATOM 714 N ALA A 640 2.689 14.925 -34.714 1.00 25.00 N ATOM 715 CA ALA A 640 2.081 14.709 -36.017 1.00 25.00 C ATOM 716 C ALA A 640 3.137 14.889 -37.096 1.00 25.00 C ATOM 717 O ALA A 640 4.219 15.377 -36.807 1.00 25.00 O ATOM 718 CB ALA A 640 0.951 15.678 -36.208 1.00 25.00 C ATOM 0 H ALA A 640 3.274 15.759 -34.660 1.00 25.00 H new ATOM 0 HA ALA A 640 1.682 13.697 -36.083 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.495 15.517 -37.185 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.204 15.525 -35.429 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.332 16.698 -36.149 1.00 25.00 H new ATOM 724 N LEU A 641 2.834 14.514 -38.331 1.00 25.00 N ATOM 725 CA LEU A 641 3.812 14.648 -39.414 1.00 25.00 C ATOM 726 C LEU A 641 4.263 16.098 -39.573 1.00 25.00 C ATOM 727 O LEU A 641 5.438 16.357 -39.812 1.00 25.00 O ATOM 728 CB LEU A 641 3.233 14.146 -40.744 1.00 25.00 C ATOM 729 CG LEU A 641 3.061 12.624 -40.907 1.00 25.00 C ATOM 730 CD1 LEU A 641 2.426 12.329 -42.266 1.00 25.00 C ATOM 731 CD2 LEU A 641 4.395 11.877 -40.798 1.00 25.00 C ATOM 0 H LEU A 641 1.936 14.120 -38.610 1.00 25.00 H new ATOM 0 HA LEU A 641 4.674 14.037 -39.148 1.00 25.00 H new ATOM 0 HB2 LEU A 641 2.259 14.613 -40.886 1.00 25.00 H new ATOM 0 HB3 LEU A 641 3.877 14.501 -41.548 1.00 25.00 H new ATOM 0 HG LEU A 641 2.418 12.275 -40.099 1.00 25.00 H new ATOM 0 HD11 LEU A 641 2.303 11.252 -42.384 1.00 25.00 H new ATOM 0 HD12 LEU A 641 1.452 12.814 -42.325 1.00 25.00 H new ATOM 0 HD13 LEU A 641 3.070 12.710 -43.059 1.00 25.00 H new ATOM 0 HD21 LEU A 641 4.224 10.807 -40.919 1.00 25.00 H new ATOM 0 HD22 LEU A 641 5.073 12.227 -41.577 1.00 25.00 H new ATOM 0 HD23 LEU A 641 4.838 12.065 -39.820 1.00 25.00 H new ATOM 743 N SER A 642 3.331 17.028 -39.429 1.00 25.00 N ATOM 744 CA SER A 642 3.615 18.458 -39.567 1.00 25.00 C ATOM 745 C SER A 642 3.804 19.181 -38.232 1.00 25.00 C ATOM 746 O SER A 642 3.898 20.404 -38.205 1.00 25.00 O ATOM 747 CB SER A 642 2.470 19.131 -40.321 1.00 25.00 C ATOM 748 OG SER A 642 1.879 18.225 -41.239 1.00 25.00 O ATOM 0 H SER A 642 2.356 16.818 -39.213 1.00 25.00 H new ATOM 0 HA SER A 642 4.557 18.531 -40.110 1.00 25.00 H new ATOM 0 HB2 SER A 642 1.719 19.483 -39.614 1.00 25.00 H new ATOM 0 HB3 SER A 642 2.842 20.006 -40.853 1.00 25.00 H new ATOM 0 HG SER A 642 1.289 17.609 -40.757 1.00 25.00 H new ATOM 754 N SER A 643 3.826 18.444 -37.126 1.00 25.00 N ATOM 755 CA SER A 643 3.890 19.069 -35.798 1.00 25.00 C ATOM 756 C SER A 643 4.888 18.437 -34.833 1.00 25.00 C ATOM 757 O SER A 643 5.267 17.286 -34.959 1.00 25.00 O ATOM 758 CB SER A 643 2.511 19.016 -35.139 1.00 25.00 C ATOM 759 OG SER A 643 1.531 19.708 -35.894 1.00 25.00 O ATOM 0 H SER A 643 3.801 17.424 -37.116 1.00 25.00 H new ATOM 0 HA SER A 643 4.229 20.088 -35.984 1.00 25.00 H new ATOM 0 HB2 SER A 643 2.207 17.976 -35.019 1.00 25.00 H new ATOM 0 HB3 SER A 643 2.570 19.449 -34.140 1.00 25.00 H new ATOM 0 HG SER A 643 1.076 19.080 -36.493 1.00 25.00 H new ATOM 765 N GLU A 644 5.290 19.221 -33.847 1.00 25.00 N ATOM 766 CA GLU A 644 6.216 18.787 -32.800 1.00 25.00 C ATOM 767 C GLU A 644 5.608 17.768 -31.825 1.00 25.00 C ATOM 768 O GLU A 644 4.375 17.659 -31.703 1.00 25.00 O ATOM 769 CB GLU A 644 6.607 20.021 -31.965 1.00 25.00 C ATOM 770 CG GLU A 644 5.405 20.599 -31.178 1.00 25.00 C ATOM 771 CD GLU A 644 5.737 21.806 -30.327 1.00 25.00 C ATOM 772 OE1 GLU A 644 6.859 22.336 -30.410 1.00 25.00 O ATOM 773 OE2 GLU A 644 4.832 22.230 -29.569 1.00 25.00 O ATOM 0 H GLU A 644 4.983 20.188 -33.745 1.00 25.00 H new ATOM 0 HA GLU A 644 7.060 18.314 -33.303 1.00 25.00 H new ATOM 0 HB2 GLU A 644 7.399 19.749 -31.267 1.00 25.00 H new ATOM 0 HB3 GLU A 644 7.012 20.790 -32.623 1.00 25.00 H new ATOM 0 HG2 GLU A 644 4.621 20.872 -31.885 1.00 25.00 H new ATOM 0 HG3 GLU A 644 4.997 19.818 -30.536 1.00 25.00 H new ATOM 780 N TRP A 645 6.473 17.072 -31.094 1.00 25.00 N ATOM 781 CA TRP A 645 6.057 16.324 -29.914 1.00 25.00 C ATOM 782 C TRP A 645 5.657 17.358 -28.880 1.00 25.00 C ATOM 783 O TRP A 645 6.473 18.174 -28.461 1.00 25.00 O ATOM 784 CB TRP A 645 7.206 15.481 -29.336 1.00 25.00 C ATOM 785 CG TRP A 645 7.443 14.181 -30.048 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.448 13.879 -30.910 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.653 12.978 -29.948 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.354 12.595 -31.362 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.256 12.006 -30.800 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.478 12.635 -29.250 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.724 10.712 -30.960 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.940 11.330 -29.404 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.575 10.384 -30.262 1.00 25.00 C ATOM 0 H TRP A 645 7.470 17.011 -31.300 1.00 25.00 H new ATOM 0 HA TRP A 645 5.247 15.643 -30.176 1.00 25.00 H new ATOM 0 HB2 TRP A 645 8.123 16.070 -29.366 1.00 25.00 H new ATOM 0 HB3 TRP A 645 6.995 15.273 -28.287 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.225 14.570 -31.202 1.00 25.00 H new ATOM 0 HE1 TRP A 645 8.999 12.147 -32.014 1.00 25.00 H new ATOM 0 HE3 TRP A 645 4.993 13.355 -28.607 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 7.201 9.994 -31.611 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 4.044 11.052 -28.868 1.00 25.00 H new ATOM 0 HH2 TRP A 645 5.152 9.396 -30.369 1.00 25.00 H new ATOM 804 N LYS A 646 4.403 17.326 -28.467 1.00 25.00 N ATOM 805 CA LYS A 646 3.928 18.246 -27.440 1.00 25.00 C ATOM 806 C LYS A 646 4.598 17.801 -26.144 1.00 25.00 C ATOM 807 O LYS A 646 4.911 16.620 -26.004 1.00 25.00 O ATOM 808 CB LYS A 646 2.397 18.198 -27.343 1.00 25.00 C ATOM 809 CG LYS A 646 1.696 18.564 -28.657 1.00 25.00 C ATOM 810 CD LYS A 646 2.006 19.996 -29.120 1.00 25.00 C ATOM 811 CE LYS A 646 1.352 20.296 -30.461 1.00 25.00 C ATOM 812 NZ LYS A 646 1.921 19.419 -31.539 1.00 25.00 N ATOM 0 H LYS A 646 3.697 16.680 -28.821 1.00 25.00 H new ATOM 0 HA LYS A 646 4.181 19.282 -27.667 1.00 25.00 H new ATOM 0 HB2 LYS A 646 2.090 17.197 -27.042 1.00 25.00 H new ATOM 0 HB3 LYS A 646 2.067 18.881 -26.560 1.00 25.00 H new ATOM 0 HG2 LYS A 646 2.001 17.862 -29.433 1.00 25.00 H new ATOM 0 HG3 LYS A 646 0.619 18.453 -28.532 1.00 25.00 H new ATOM 0 HD2 LYS A 646 1.652 20.707 -28.373 1.00 25.00 H new ATOM 0 HD3 LYS A 646 3.085 20.129 -29.201 1.00 25.00 H new ATOM 0 HE2 LYS A 646 0.276 20.140 -30.389 1.00 25.00 H new ATOM 0 HE3 LYS A 646 1.505 21.344 -30.719 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 2.307 20.012 -32.301 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 2.679 18.828 -31.142 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 1.171 18.809 -31.922 1.00 25.00 H new ATOM 826 N PRO A 647 4.839 18.730 -25.196 1.00 25.00 N ATOM 827 CA PRO A 647 5.584 18.330 -23.991 1.00 25.00 C ATOM 828 C PRO A 647 4.895 17.236 -23.175 1.00 25.00 C ATOM 829 O PRO A 647 5.331 16.095 -23.203 1.00 25.00 O ATOM 830 CB PRO A 647 5.737 19.652 -23.221 1.00 25.00 C ATOM 831 CG PRO A 647 4.614 20.512 -23.712 1.00 25.00 C ATOM 832 CD PRO A 647 4.488 20.165 -25.166 1.00 25.00 C ATOM 0 HA PRO A 647 6.540 17.866 -24.232 1.00 25.00 H new ATOM 0 HB2 PRO A 647 5.672 19.493 -22.145 1.00 25.00 H new ATOM 0 HB3 PRO A 647 6.704 20.114 -23.417 1.00 25.00 H new ATOM 0 HG2 PRO A 647 3.690 20.305 -23.172 1.00 25.00 H new ATOM 0 HG3 PRO A 647 4.834 21.571 -23.574 1.00 25.00 H new ATOM 0 HD2 PRO A 647 3.478 20.342 -25.537 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.163 20.759 -25.783 1.00 25.00 H new ATOM 840 N GLU A 648 3.827 17.562 -22.460 1.00 25.00 N ATOM 841 CA GLU A 648 3.038 16.563 -21.744 1.00 25.00 C ATOM 842 C GLU A 648 1.685 17.198 -21.460 1.00 25.00 C ATOM 843 O GLU A 648 1.620 18.398 -21.175 1.00 25.00 O ATOM 844 CB GLU A 648 3.726 16.141 -20.441 1.00 25.00 C ATOM 845 CG GLU A 648 3.235 14.802 -19.907 1.00 25.00 C ATOM 846 CD GLU A 648 4.307 14.087 -19.090 1.00 25.00 C ATOM 847 OE1 GLU A 648 4.706 12.958 -19.478 1.00 25.00 O ATOM 848 OE2 GLU A 648 4.759 14.646 -18.076 1.00 25.00 O ATOM 0 H GLU A 648 3.483 18.517 -22.359 1.00 25.00 H new ATOM 0 HA GLU A 648 2.929 15.659 -22.342 1.00 25.00 H new ATOM 0 HB2 GLU A 648 4.802 16.085 -20.608 1.00 25.00 H new ATOM 0 HB3 GLU A 648 3.560 16.909 -19.685 1.00 25.00 H new ATOM 0 HG2 GLU A 648 2.352 14.960 -19.288 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.931 14.168 -20.740 1.00 25.00 H new ATOM 855 N ILE A 649 0.613 16.428 -21.532 1.00 25.00 N ATOM 856 CA ILE A 649 -0.718 16.945 -21.243 1.00 25.00 C ATOM 857 C ILE A 649 -1.152 16.370 -19.904 1.00 25.00 C ATOM 858 O ILE A 649 -1.215 15.157 -19.719 1.00 25.00 O ATOM 859 CB ILE A 649 -1.755 16.555 -22.336 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.225 16.864 -23.757 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.107 17.273 -22.092 1.00 25.00 C ATOM 862 CD1 ILE A 649 -0.890 18.354 -24.046 1.00 25.00 C ATOM 0 H ILE A 649 0.636 15.441 -21.788 1.00 25.00 H new ATOM 0 HA ILE A 649 -0.676 18.034 -21.221 1.00 25.00 H new ATOM 0 HB ILE A 649 -1.916 15.479 -22.267 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.327 16.270 -23.926 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -1.968 16.531 -24.482 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -3.817 16.986 -22.868 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -3.500 16.987 -21.116 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -2.956 18.352 -22.120 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -0.528 18.454 -25.069 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -1.787 18.960 -23.918 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -0.120 18.695 -23.354 1.00 25.00 H new ATOM 874 N ARG A 650 -1.456 17.272 -18.983 1.00 25.00 N ATOM 875 CA ARG A 650 -1.946 16.934 -17.646 1.00 25.00 C ATOM 876 C ARG A 650 -3.304 16.338 -17.734 1.00 25.00 C ATOM 877 O ARG A 650 -4.048 16.800 -18.551 1.00 25.00 O ATOM 878 CB ARG A 650 -2.131 18.225 -16.807 1.00 25.00 C ATOM 879 CG ARG A 650 -3.399 19.094 -17.256 1.00 25.00 C ATOM 880 CD ARG A 650 -3.436 20.468 -16.604 1.00 25.00 C ATOM 881 NE ARG A 650 -4.533 21.289 -17.152 1.00 25.00 N ATOM 882 CZ ARG A 650 -5.790 21.287 -16.720 1.00 25.00 C ATOM 883 NH1 ARG A 650 -6.194 20.537 -15.723 1.00 25.00 N ATOM 884 NH2 ARG A 650 -6.661 22.059 -17.310 1.00 25.00 N ATOM 0 H ARG A 650 -1.369 18.276 -19.141 1.00 25.00 H new ATOM 0 HA ARG A 650 -1.224 16.250 -17.200 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -2.237 17.955 -15.756 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -1.232 18.836 -16.890 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -3.387 19.212 -18.340 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -4.311 18.553 -17.004 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -3.563 20.359 -15.527 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -2.484 20.975 -16.763 1.00 25.00 H new ATOM 0 HE ARG A 650 -4.307 21.911 -17.928 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -5.533 19.923 -15.246 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -7.169 20.567 -15.424 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -6.373 22.651 -18.089 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -7.630 22.071 -16.992 1.00 25.00 H new ATOM 898 N LEU A 651 -3.656 15.362 -16.922 1.00 25.00 N ATOM 899 CA LEU A 651 -5.080 15.079 -16.679 1.00 25.00 C ATOM 900 C LEU A 651 -5.281 14.519 -15.266 1.00 25.00 C ATOM 901 O LEU A 651 -4.471 13.717 -14.802 1.00 25.00 O ATOM 902 CB LEU A 651 -5.750 14.245 -17.784 1.00 25.00 C ATOM 903 CG LEU A 651 -6.598 15.003 -18.857 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.069 16.498 -18.499 1.00 25.00 C ATOM 905 CD2 LEU A 651 -5.851 15.025 -20.199 1.00 25.00 C ATOM 0 H LEU A 651 -3.003 14.757 -16.424 1.00 25.00 H new ATOM 0 HA LEU A 651 -5.612 16.029 -16.730 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -4.969 13.690 -18.305 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -6.397 13.511 -17.304 1.00 25.00 H new ATOM 0 HG LEU A 651 -7.522 14.426 -18.901 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -7.647 16.906 -19.328 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -7.686 16.480 -17.601 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -6.193 17.124 -18.325 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -6.450 15.555 -20.940 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -4.894 15.533 -20.075 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -5.678 14.003 -20.536 1.00 25.00 H new ATOM 917 N PRO A 652 -6.347 14.944 -14.554 1.00 25.00 N ATOM 918 CA PRO A 652 -6.558 14.396 -13.209 1.00 25.00 C ATOM 919 C PRO A 652 -7.156 12.996 -13.244 1.00 25.00 C ATOM 920 O PRO A 652 -7.714 12.585 -14.252 1.00 25.00 O ATOM 921 CB PRO A 652 -7.567 15.372 -12.606 1.00 25.00 C ATOM 922 CG PRO A 652 -8.398 15.760 -13.766 1.00 25.00 C ATOM 923 CD PRO A 652 -7.405 15.919 -14.891 1.00 25.00 C ATOM 0 HA PRO A 652 -5.627 14.301 -12.651 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -8.163 14.903 -11.823 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -7.074 16.235 -12.157 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.143 14.998 -13.996 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -8.939 16.687 -13.577 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -7.857 15.703 -15.859 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.014 16.935 -14.941 1.00 25.00 H new ATOM 931 N SER A 653 -7.058 12.284 -12.131 1.00 25.00 N ATOM 932 CA SER A 653 -7.593 10.922 -12.009 1.00 25.00 C ATOM 933 C SER A 653 -9.066 10.780 -12.419 1.00 25.00 C ATOM 934 O SER A 653 -9.476 9.743 -12.918 1.00 25.00 O ATOM 935 CB SER A 653 -7.438 10.466 -10.561 1.00 25.00 C ATOM 936 OG SER A 653 -7.756 9.098 -10.415 1.00 25.00 O ATOM 0 H SER A 653 -6.607 12.628 -11.283 1.00 25.00 H new ATOM 0 HA SER A 653 -7.023 10.302 -12.701 1.00 25.00 H new ATOM 0 HB2 SER A 653 -6.414 10.640 -10.231 1.00 25.00 H new ATOM 0 HB3 SER A 653 -8.086 11.062 -9.919 1.00 25.00 H new ATOM 0 HG SER A 653 -7.142 8.686 -9.771 1.00 25.00 H new ATOM 942 N GLY A 654 -9.850 11.831 -12.214 1.00 25.00 N ATOM 943 CA GLY A 654 -11.272 11.789 -12.531 1.00 25.00 C ATOM 944 C GLY A 654 -11.650 12.037 -13.985 1.00 25.00 C ATOM 945 O GLY A 654 -12.830 12.190 -14.286 1.00 25.00 O ATOM 0 H GLY A 654 -9.527 12.720 -11.831 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -11.658 10.812 -12.240 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -11.781 12.530 -11.915 1.00 25.00 H new ATOM 949 N SER A 655 -10.684 12.092 -14.891 1.00 25.00 N ATOM 950 CA SER A 655 -10.997 12.293 -16.306 1.00 25.00 C ATOM 951 C SER A 655 -11.328 10.942 -16.953 1.00 25.00 C ATOM 952 O SER A 655 -10.492 10.064 -17.012 1.00 25.00 O ATOM 953 CB SER A 655 -9.829 12.966 -17.032 1.00 25.00 C ATOM 954 OG SER A 655 -9.698 14.310 -16.602 1.00 25.00 O ATOM 0 H SER A 655 -9.690 12.002 -14.680 1.00 25.00 H new ATOM 0 HA SER A 655 -11.862 12.951 -16.387 1.00 25.00 H new ATOM 0 HB2 SER A 655 -8.906 12.421 -16.835 1.00 25.00 H new ATOM 0 HB3 SER A 655 -9.994 12.935 -18.109 1.00 25.00 H new ATOM 0 HG SER A 655 -9.330 14.852 -17.331 1.00 25.00 H new ATOM 960 N ASP A 656 -12.564 10.804 -17.418 1.00 25.00 N ATOM 961 CA ASP A 656 -13.069 9.578 -18.074 1.00 25.00 C ATOM 962 C ASP A 656 -12.483 9.379 -19.482 1.00 25.00 C ATOM 963 O ASP A 656 -12.314 8.253 -19.958 1.00 25.00 O ATOM 964 CB ASP A 656 -14.596 9.726 -18.180 1.00 25.00 C ATOM 965 CG ASP A 656 -15.245 8.636 -19.011 1.00 25.00 C ATOM 966 OD1 ASP A 656 -15.696 7.632 -18.438 1.00 25.00 O ATOM 967 OD2 ASP A 656 -15.316 8.788 -20.250 1.00 25.00 O ATOM 0 H ASP A 656 -13.263 11.544 -17.355 1.00 25.00 H new ATOM 0 HA ASP A 656 -12.774 8.710 -17.484 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -15.026 9.715 -17.178 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -14.831 10.696 -18.617 1.00 25.00 H new ATOM 972 N HIS A 657 -12.178 10.480 -20.149 1.00 25.00 N ATOM 973 CA HIS A 657 -11.602 10.450 -21.489 1.00 25.00 C ATOM 974 C HIS A 657 -10.857 11.760 -21.676 1.00 25.00 C ATOM 975 O HIS A 657 -10.985 12.669 -20.851 1.00 25.00 O ATOM 976 CB HIS A 657 -12.691 10.281 -22.558 1.00 25.00 C ATOM 977 CG HIS A 657 -13.775 11.309 -22.486 1.00 25.00 C ATOM 978 ND1 HIS A 657 -14.955 11.134 -21.809 1.00 25.00 N ATOM 979 CD2 HIS A 657 -13.862 12.552 -23.032 1.00 25.00 C ATOM 980 CE1 HIS A 657 -15.688 12.229 -21.960 1.00 25.00 C ATOM 981 NE2 HIS A 657 -15.069 13.133 -22.694 1.00 25.00 N ATOM 0 H HIS A 657 -12.321 11.420 -19.780 1.00 25.00 H new ATOM 0 HA HIS A 657 -10.928 9.600 -21.598 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.228 10.323 -23.544 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.135 9.291 -22.457 1.00 25.00 H new ATOM 0 HD1 HIS A 657 -15.223 10.304 -21.280 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -13.100 13.016 -23.640 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -16.671 12.364 -21.534 1.00 25.00 H new ATOM 989 N VAL A 658 -10.078 11.857 -22.742 1.00 25.00 N ATOM 990 CA VAL A 658 -9.302 13.061 -23.024 1.00 25.00 C ATOM 991 C VAL A 658 -9.582 13.539 -24.445 1.00 25.00 C ATOM 992 O VAL A 658 -9.483 12.786 -25.423 1.00 25.00 O ATOM 993 CB VAL A 658 -7.766 12.831 -22.781 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.320 11.457 -23.274 1.00 25.00 C ATOM 995 CG2 VAL A 658 -6.921 13.927 -23.453 1.00 25.00 C ATOM 0 H VAL A 658 -9.964 11.114 -23.431 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.613 13.842 -22.330 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.606 12.880 -21.704 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.253 11.333 -23.090 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.872 10.683 -22.742 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.516 11.373 -24.343 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -5.864 13.738 -23.265 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -7.106 13.921 -24.527 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -7.194 14.899 -23.043 1.00 25.00 H new ATOM 1005 N MET A 659 -9.947 14.808 -24.537 1.00 25.00 N ATOM 1006 CA MET A 659 -10.215 15.467 -25.806 1.00 25.00 C ATOM 1007 C MET A 659 -8.918 16.122 -26.281 1.00 25.00 C ATOM 1008 O MET A 659 -8.524 17.168 -25.762 1.00 25.00 O ATOM 1009 CB MET A 659 -11.298 16.538 -25.603 1.00 25.00 C ATOM 1010 CG MET A 659 -11.731 17.233 -26.878 1.00 25.00 C ATOM 1011 SD MET A 659 -12.740 16.142 -27.871 1.00 25.00 S ATOM 1012 CE MET A 659 -11.881 16.200 -29.392 1.00 25.00 C ATOM 0 H MET A 659 -10.067 15.415 -23.726 1.00 25.00 H new ATOM 0 HA MET A 659 -10.565 14.749 -26.547 1.00 25.00 H new ATOM 0 HB2 MET A 659 -12.170 16.074 -25.141 1.00 25.00 H new ATOM 0 HB3 MET A 659 -10.927 17.286 -24.903 1.00 25.00 H new ATOM 0 HG2 MET A 659 -12.291 18.136 -26.635 1.00 25.00 H new ATOM 0 HG3 MET A 659 -10.854 17.545 -27.446 1.00 25.00 H new ATOM 0 HE1 MET A 659 -12.241 15.404 -30.044 1.00 25.00 H new ATOM 0 HE2 MET A 659 -12.051 17.165 -29.869 1.00 25.00 H new ATOM 0 HE3 MET A 659 -10.814 16.067 -29.213 1.00 25.00 H new ATOM 1022 N LEU A 660 -8.247 15.521 -27.250 1.00 25.00 N ATOM 1023 CA LEU A 660 -7.015 16.101 -27.780 1.00 25.00 C ATOM 1024 C LEU A 660 -7.380 16.967 -28.961 1.00 25.00 C ATOM 1025 O LEU A 660 -8.225 16.592 -29.764 1.00 25.00 O ATOM 1026 CB LEU A 660 -6.031 15.025 -28.249 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.334 14.177 -27.179 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.370 13.239 -27.872 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.566 15.044 -26.167 1.00 25.00 C ATOM 0 H LEU A 660 -8.527 14.642 -27.684 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.532 16.674 -26.988 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -6.567 14.349 -28.915 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -5.259 15.514 -28.844 1.00 25.00 H new ATOM 0 HG LEU A 660 -6.093 13.624 -26.625 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.862 12.625 -27.128 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.919 12.596 -28.560 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.634 13.819 -28.428 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -4.088 14.402 -25.427 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.806 15.625 -26.689 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -5.260 15.720 -25.667 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.734 18.118 -29.065 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.953 19.058 -30.166 1.00 25.00 C ATOM 1043 C LYS A 661 -5.557 19.509 -30.581 1.00 25.00 C ATOM 1044 O LYS A 661 -4.582 19.040 -29.998 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.833 20.244 -29.719 1.00 25.00 C ATOM 1046 CG LYS A 661 -9.159 19.813 -29.040 1.00 25.00 C ATOM 1047 CD LYS A 661 -10.226 20.915 -29.007 1.00 25.00 C ATOM 1048 CE LYS A 661 -11.075 20.855 -30.278 1.00 25.00 C ATOM 1049 NZ LYS A 661 -12.300 21.727 -30.272 1.00 25.00 N ATOM 0 H LYS A 661 -6.039 18.433 -28.388 1.00 25.00 H new ATOM 0 HA LYS A 661 -7.488 18.601 -30.998 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -7.266 20.866 -29.027 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -8.063 20.862 -30.587 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -9.561 18.947 -29.566 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -8.947 19.495 -28.019 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -10.861 20.793 -28.129 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -9.750 21.892 -28.923 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -10.451 21.138 -31.126 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -11.384 19.823 -30.441 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -12.808 21.618 -31.173 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -12.922 21.446 -29.487 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -12.018 22.721 -30.152 1.00 25.00 H new ATOM 1063 N SER A 662 -5.462 20.403 -31.556 1.00 25.00 N ATOM 1064 CA SER A 662 -4.170 20.930 -32.037 1.00 25.00 C ATOM 1065 C SER A 662 -3.242 19.816 -32.538 1.00 25.00 C ATOM 1066 O SER A 662 -2.104 19.668 -32.080 1.00 25.00 O ATOM 1067 CB SER A 662 -3.482 21.761 -30.948 1.00 25.00 C ATOM 1068 OG SER A 662 -4.380 22.732 -30.433 1.00 25.00 O ATOM 0 H SER A 662 -6.271 20.790 -32.042 1.00 25.00 H new ATOM 0 HA SER A 662 -4.384 21.578 -32.887 1.00 25.00 H new ATOM 0 HB2 SER A 662 -3.140 21.109 -30.144 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.599 22.252 -31.358 1.00 25.00 H new ATOM 0 HG SER A 662 -3.931 23.256 -29.737 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.761 19.038 -33.478 1.00 25.00 N ATOM 1075 CA LEU A 663 -3.058 17.911 -34.085 1.00 25.00 C ATOM 1076 C LEU A 663 -3.416 17.910 -35.571 1.00 25.00 C ATOM 1077 O LEU A 663 -4.404 18.534 -35.959 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.487 16.603 -33.400 1.00 25.00 C ATOM 1079 CG LEU A 663 -5.001 16.346 -33.209 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.655 15.738 -34.434 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -5.185 15.423 -32.011 1.00 25.00 C ATOM 0 H LEU A 663 -4.701 19.174 -33.849 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.978 17.997 -33.964 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -3.078 15.774 -33.977 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -3.016 16.570 -32.417 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.488 17.307 -33.043 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.716 15.581 -34.240 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.537 16.413 -35.282 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -5.183 14.783 -34.662 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -6.247 15.230 -31.860 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.667 14.481 -32.194 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.772 15.896 -31.120 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.628 17.235 -36.393 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.885 17.208 -37.836 1.00 25.00 C ATOM 1095 C ASP A 664 -4.171 16.435 -38.074 1.00 25.00 C ATOM 1096 O ASP A 664 -4.432 15.448 -37.409 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.774 16.493 -38.614 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.450 17.256 -38.625 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.309 18.299 -37.951 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.478 16.777 -39.314 1.00 25.00 O ATOM 0 H ASP A 664 -1.811 16.701 -36.096 1.00 25.00 H new ATOM 0 HA ASP A 664 -2.943 18.240 -38.182 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.613 15.507 -38.178 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -2.103 16.337 -39.641 1.00 25.00 H new ATOM 1105 N TRP A 665 -4.970 16.872 -39.030 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.207 16.164 -39.364 1.00 25.00 C ATOM 1107 C TRP A 665 -6.118 15.581 -40.762 1.00 25.00 C ATOM 1108 O TRP A 665 -6.562 14.474 -41.002 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.410 17.103 -39.235 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.168 18.477 -39.802 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.494 19.499 -39.217 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.602 18.992 -41.078 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.456 20.599 -40.013 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.120 20.332 -41.174 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.349 18.461 -42.149 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.352 21.139 -42.305 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.589 19.275 -43.290 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -8.079 20.604 -43.354 1.00 25.00 C ATOM 0 H TRP A 665 -4.793 17.707 -39.589 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.343 15.342 -38.661 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.265 16.656 -39.742 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.676 17.196 -38.182 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.043 19.444 -38.237 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.003 21.483 -39.780 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.733 17.452 -42.104 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -6.972 22.149 -42.352 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -9.163 18.882 -44.116 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.263 21.203 -44.234 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.525 16.331 -41.679 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.373 15.915 -43.072 1.00 25.00 C ATOM 1131 C ASN A 666 -4.058 15.174 -43.292 1.00 25.00 C ATOM 1132 O ASN A 666 -3.672 14.895 -44.425 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.402 17.149 -43.980 1.00 25.00 C ATOM 1134 CG ASN A 666 -4.227 18.066 -43.751 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -3.939 18.459 -42.626 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -3.554 18.420 -44.805 1.00 25.00 N ATOM 0 H ASN A 666 -5.132 17.251 -41.480 1.00 25.00 H new ATOM 0 HA ASN A 666 -6.196 15.242 -43.313 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.410 16.829 -45.022 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -6.327 17.700 -43.809 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -2.754 19.047 -44.713 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -3.825 18.071 -45.724 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.374 14.867 -42.203 1.00 25.00 N ATOM 1144 CA ALA A 667 -2.105 14.157 -42.246 1.00 25.00 C ATOM 1145 C ALA A 667 -2.100 13.236 -41.030 1.00 25.00 C ATOM 1146 O ALA A 667 -2.980 13.335 -40.176 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.923 15.146 -42.214 1.00 25.00 C ATOM 0 H ALA A 667 -3.683 15.104 -41.260 1.00 25.00 H new ATOM 0 HA ALA A 667 -1.994 13.585 -43.167 1.00 25.00 H new ATOM 0 HB1 ALA A 667 0.015 14.593 -42.247 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -0.982 15.812 -43.075 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.965 15.734 -41.297 1.00 25.00 H new ATOM 1153 N GLU A 668 -1.136 12.336 -40.969 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.078 11.345 -39.905 1.00 25.00 C ATOM 1155 C GLU A 668 -0.446 11.880 -38.632 1.00 25.00 C ATOM 1156 O GLU A 668 0.445 12.739 -38.664 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.280 10.138 -40.396 1.00 25.00 C ATOM 1158 CG GLU A 668 -0.748 9.623 -41.750 1.00 25.00 C ATOM 1159 CD GLU A 668 -0.181 8.262 -42.095 1.00 25.00 C ATOM 1160 OE1 GLU A 668 -0.980 7.374 -42.479 1.00 25.00 O ATOM 1161 OE2 GLU A 668 1.042 8.071 -41.999 1.00 25.00 O ATOM 0 H GLU A 668 -0.377 12.269 -41.647 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.103 11.067 -39.661 1.00 25.00 H new ATOM 0 HB2 GLU A 668 0.774 10.409 -40.462 1.00 25.00 H new ATOM 0 HB3 GLU A 668 -0.358 9.336 -39.662 1.00 25.00 H new ATOM 0 HG2 GLU A 668 -1.837 9.569 -41.755 1.00 25.00 H new ATOM 0 HG3 GLU A 668 -0.461 10.336 -42.523 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.896 11.356 -37.505 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.326 11.723 -36.214 1.00 25.00 C ATOM 1170 C TYR A 669 -0.371 10.554 -35.253 1.00 25.00 C ATOM 1171 O TYR A 669 -1.168 9.636 -35.424 1.00 25.00 O ATOM 1172 CB TYR A 669 -1.064 12.922 -35.627 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.499 12.665 -35.310 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.482 12.799 -36.304 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.894 12.295 -34.012 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.830 12.584 -36.012 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.250 12.076 -33.711 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.206 12.231 -34.723 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.525 12.050 -34.469 1.00 25.00 O ATOM 0 H TYR A 669 -1.654 10.675 -37.455 1.00 25.00 H new ATOM 0 HA TYR A 669 0.717 11.997 -36.369 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.554 13.238 -34.717 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -1.003 13.752 -36.331 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.191 13.072 -37.308 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.149 12.178 -33.239 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.577 12.692 -36.785 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.550 11.792 -32.713 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.825 11.212 -34.879 1.00 25.00 H new ATOM 1189 N GLU A 670 0.497 10.595 -34.255 1.00 25.00 N ATOM 1190 CA GLU A 670 0.639 9.524 -33.274 1.00 25.00 C ATOM 1191 C GLU A 670 0.395 10.075 -31.870 1.00 25.00 C ATOM 1192 O GLU A 670 0.759 11.211 -31.560 1.00 25.00 O ATOM 1193 CB GLU A 670 2.044 8.903 -33.379 1.00 25.00 C ATOM 1194 CG GLU A 670 3.201 9.886 -33.123 1.00 25.00 C ATOM 1195 CD GLU A 670 4.560 9.285 -33.442 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.912 8.244 -32.849 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.287 9.866 -34.287 1.00 25.00 O ATOM 0 H GLU A 670 1.130 11.379 -34.099 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.098 8.747 -33.475 1.00 25.00 H new ATOM 0 HB2 GLU A 670 2.118 8.082 -32.666 1.00 25.00 H new ATOM 0 HB3 GLU A 670 2.163 8.473 -34.374 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.053 10.781 -33.727 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.182 10.199 -32.079 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.237 9.270 -31.028 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.571 9.664 -29.657 1.00 25.00 C ATOM 1206 C VAL A 671 -0.134 8.580 -28.689 1.00 25.00 C ATOM 1207 O VAL A 671 -0.446 7.421 -28.903 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.110 9.827 -29.496 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.481 10.213 -28.053 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.664 10.871 -30.481 1.00 25.00 C ATOM 0 H VAL A 671 -0.535 8.325 -31.271 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.064 10.606 -29.448 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.564 8.862 -29.723 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.563 10.320 -27.972 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.141 9.435 -27.369 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -2.003 11.158 -27.795 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.742 10.963 -30.345 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.191 11.835 -30.294 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.453 10.555 -31.503 1.00 25.00 H new ATOM 1220 N TYR A 672 0.560 8.967 -27.627 1.00 25.00 N ATOM 1221 CA TYR A 672 0.973 8.058 -26.555 1.00 25.00 C ATOM 1222 C TYR A 672 0.324 8.534 -25.269 1.00 25.00 C ATOM 1223 O TYR A 672 0.187 9.736 -25.048 1.00 25.00 O ATOM 1224 CB TYR A 672 2.490 8.086 -26.371 1.00 25.00 C ATOM 1225 CG TYR A 672 3.217 7.266 -27.396 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.720 5.991 -27.069 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.400 7.749 -28.704 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.384 5.200 -28.041 1.00 25.00 C ATOM 1229 CE2 TYR A 672 4.073 6.967 -29.680 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.559 5.702 -29.339 1.00 25.00 C ATOM 1231 OH TYR A 672 5.198 4.950 -30.289 1.00 25.00 O ATOM 0 H TYR A 672 0.858 9.931 -27.480 1.00 25.00 H new ATOM 0 HA TYR A 672 0.671 7.041 -26.807 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.839 9.117 -26.424 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.737 7.717 -25.376 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.598 5.611 -26.065 1.00 25.00 H new ATOM 0 HD2 TYR A 672 3.024 8.726 -28.969 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.752 4.218 -27.784 1.00 25.00 H new ATOM 0 HE2 TYR A 672 4.209 7.348 -30.681 1.00 25.00 H new ATOM 0 HH TYR A 672 5.232 5.448 -31.132 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.067 7.603 -24.416 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.705 7.942 -23.149 1.00 25.00 C ATOM 1243 C VAL A 673 -0.285 6.914 -22.107 1.00 25.00 C ATOM 1244 O VAL A 673 -0.123 5.726 -22.421 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.270 7.997 -23.322 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -2.783 6.777 -24.113 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.002 8.139 -21.959 1.00 25.00 C ATOM 0 H VAL A 673 0.045 6.602 -24.576 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.388 8.930 -22.816 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.501 8.892 -23.900 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -3.866 6.840 -24.218 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.323 6.764 -25.101 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.523 5.862 -23.580 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.079 8.173 -22.126 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -2.760 7.286 -21.325 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.682 9.058 -21.468 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.100 7.375 -20.877 1.00 25.00 N ATOM 1258 CA VAL A 674 0.206 6.509 -19.741 1.00 25.00 C ATOM 1259 C VAL A 674 -0.618 7.005 -18.560 1.00 25.00 C ATOM 1260 O VAL A 674 -1.068 8.158 -18.537 1.00 25.00 O ATOM 1261 CB VAL A 674 1.727 6.528 -19.346 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.581 5.915 -20.447 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.212 7.946 -19.054 1.00 25.00 C ATOM 0 H VAL A 674 -0.158 8.364 -20.636 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.034 5.482 -20.016 1.00 25.00 H new ATOM 0 HB VAL A 674 1.830 5.933 -18.439 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.630 5.940 -20.150 1.00 25.00 H new ATOM 0 HG12 VAL A 674 2.275 4.882 -20.612 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.451 6.484 -21.368 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.268 7.921 -18.784 1.00 25.00 H new ATOM 0 HG22 VAL A 674 2.078 8.566 -19.940 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.636 8.365 -18.228 1.00 25.00 H new ATOM 1273 N ALA A 675 -0.802 6.140 -17.581 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.496 6.486 -16.353 1.00 25.00 C ATOM 1275 C ALA A 675 -0.442 6.412 -15.261 1.00 25.00 C ATOM 1276 O ALA A 675 0.513 5.644 -15.374 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.638 5.504 -16.088 1.00 25.00 C ATOM 0 H ALA A 675 -0.474 5.175 -17.614 1.00 25.00 H new ATOM 0 HA ALA A 675 -1.949 7.476 -16.402 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -3.147 5.779 -15.164 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.346 5.537 -16.916 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.236 4.495 -15.995 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.606 7.204 -14.222 1.00 25.00 N ATOM 1284 CA GLU A 676 0.342 7.247 -13.122 1.00 25.00 C ATOM 1285 C GLU A 676 -0.448 7.146 -11.833 1.00 25.00 C ATOM 1286 O GLU A 676 -1.411 7.881 -11.636 1.00 25.00 O ATOM 1287 CB GLU A 676 1.117 8.572 -13.183 1.00 25.00 C ATOM 1288 CG GLU A 676 2.201 8.734 -12.131 1.00 25.00 C ATOM 1289 CD GLU A 676 1.883 9.855 -11.156 1.00 25.00 C ATOM 1290 OE1 GLU A 676 1.127 9.630 -10.190 1.00 25.00 O ATOM 1291 OE2 GLU A 676 2.388 10.979 -11.363 1.00 25.00 O ATOM 0 H GLU A 676 -1.399 7.837 -14.114 1.00 25.00 H new ATOM 0 HA GLU A 676 1.058 6.427 -13.180 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.573 8.663 -14.169 1.00 25.00 H new ATOM 0 HB3 GLU A 676 0.409 9.394 -13.082 1.00 25.00 H new ATOM 0 HG2 GLU A 676 2.318 7.799 -11.583 1.00 25.00 H new ATOM 0 HG3 GLU A 676 3.154 8.938 -12.620 1.00 25.00 H new ATOM 1298 N ASN A 677 -0.065 6.237 -10.954 1.00 25.00 N ATOM 1299 CA ASN A 677 -0.717 6.128 -9.659 1.00 25.00 C ATOM 1300 C ASN A 677 0.364 6.295 -8.608 1.00 25.00 C ATOM 1301 O ASN A 677 1.538 6.387 -8.925 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.578 4.845 -9.512 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.783 3.598 -9.173 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.424 3.570 -9.215 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.485 2.558 -8.818 1.00 25.00 N ATOM 0 H ASN A 677 0.689 5.568 -11.110 1.00 25.00 H new ATOM 0 HA ASN A 677 -1.461 6.915 -9.533 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.324 5.009 -8.735 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -2.119 4.675 -10.443 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -1.016 1.688 -8.565 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.503 2.614 -8.793 1.00 25.00 H new ATOM 1312 N GLN A 678 -0.038 6.353 -7.356 1.00 25.00 N ATOM 1313 CA GLN A 678 0.886 6.625 -6.261 1.00 25.00 C ATOM 1314 C GLN A 678 1.923 5.511 -5.991 1.00 25.00 C ATOM 1315 O GLN A 678 2.717 5.613 -5.062 1.00 25.00 O ATOM 1316 CB GLN A 678 0.064 6.977 -5.022 1.00 25.00 C ATOM 1317 CG GLN A 678 0.779 7.920 -4.054 1.00 25.00 C ATOM 1318 CD GLN A 678 -0.163 8.528 -3.043 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -0.968 9.389 -3.375 1.00 25.00 O ATOM 1320 NE2 GLN A 678 -0.064 8.101 -1.813 1.00 25.00 N ATOM 0 H GLN A 678 -1.005 6.215 -7.064 1.00 25.00 H new ATOM 0 HA GLN A 678 1.510 7.469 -6.554 1.00 25.00 H new ATOM 0 HB2 GLN A 678 -0.872 7.437 -5.337 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -0.194 6.058 -4.495 1.00 25.00 H new ATOM 0 HG2 GLN A 678 1.565 7.374 -3.532 1.00 25.00 H new ATOM 0 HG3 GLN A 678 1.265 8.716 -4.618 1.00 25.00 H new ATOM 0 HE21 GLN A 678 0.620 7.382 -1.576 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -0.670 8.486 -1.089 1.00 25.00 H new ATOM 1329 N GLN A 679 1.901 4.451 -6.792 1.00 25.00 N ATOM 1330 CA GLN A 679 2.842 3.339 -6.649 1.00 25.00 C ATOM 1331 C GLN A 679 3.700 3.099 -7.902 1.00 25.00 C ATOM 1332 O GLN A 679 4.698 2.389 -7.830 1.00 25.00 O ATOM 1333 CB GLN A 679 2.066 2.060 -6.342 1.00 25.00 C ATOM 1334 CG GLN A 679 2.331 1.483 -4.950 1.00 25.00 C ATOM 1335 CD GLN A 679 1.813 2.344 -3.804 1.00 25.00 C ATOM 1336 OE1 GLN A 679 0.697 2.998 -4.000 1.00 25.00 O flip ATOM 1337 NE2 GLN A 679 2.417 2.393 -2.738 1.00 25.00 N flip ATOM 0 H GLN A 679 1.235 4.336 -7.556 1.00 25.00 H new ATOM 0 HA GLN A 679 3.519 3.606 -5.837 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.000 2.263 -6.442 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.318 1.307 -7.089 1.00 25.00 H new ATOM 0 HG2 GLN A 679 1.871 0.497 -4.885 1.00 25.00 H new ATOM 0 HG3 GLN A 679 3.405 1.342 -4.826 1.00 25.00 H new ATOM 0 HE21 GLN A 679 3.285 1.870 -2.619 1.00 25.00 H new ATOM 0 HE22 GLN A 679 2.052 2.956 -1.970 1.00 25.00 H new ATOM 1346 N GLY A 680 3.313 3.669 -9.036 1.00 25.00 N ATOM 1347 CA GLY A 680 4.044 3.450 -10.275 1.00 25.00 C ATOM 1348 C GLY A 680 3.260 3.919 -11.487 1.00 25.00 C ATOM 1349 O GLY A 680 2.345 4.729 -11.354 1.00 25.00 O ATOM 0 H GLY A 680 2.503 4.282 -9.123 1.00 25.00 H new ATOM 0 HA2 GLY A 680 4.996 3.978 -10.232 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.272 2.389 -10.379 1.00 25.00 H new ATOM 1353 N LYS A 681 3.604 3.434 -12.673 1.00 25.00 N ATOM 1354 CA LYS A 681 2.942 3.880 -13.910 1.00 25.00 C ATOM 1355 C LYS A 681 2.482 2.728 -14.778 1.00 25.00 C ATOM 1356 O LYS A 681 2.916 1.603 -14.621 1.00 25.00 O ATOM 1357 CB LYS A 681 3.866 4.778 -14.729 1.00 25.00 C ATOM 1358 CG LYS A 681 4.206 6.084 -14.034 1.00 25.00 C ATOM 1359 CD LYS A 681 4.603 7.168 -15.036 1.00 25.00 C ATOM 1360 CE LYS A 681 5.898 6.838 -15.772 1.00 25.00 C ATOM 1361 NZ LYS A 681 7.079 6.837 -14.837 1.00 25.00 N ATOM 0 H LYS A 681 4.333 2.735 -12.813 1.00 25.00 H new ATOM 0 HA LYS A 681 2.061 4.438 -13.594 1.00 25.00 H new ATOM 0 HB2 LYS A 681 4.788 4.238 -14.944 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.394 4.997 -15.687 1.00 25.00 H new ATOM 0 HG2 LYS A 681 3.348 6.422 -13.453 1.00 25.00 H new ATOM 0 HG3 LYS A 681 5.023 5.921 -13.331 1.00 25.00 H new ATOM 0 HD2 LYS A 681 3.800 7.299 -15.761 1.00 25.00 H new ATOM 0 HD3 LYS A 681 4.718 8.117 -14.513 1.00 25.00 H new ATOM 0 HE2 LYS A 681 5.809 5.862 -16.248 1.00 25.00 H new ATOM 0 HE3 LYS A 681 6.062 7.566 -16.566 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 7.957 6.744 -15.387 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 7.098 7.728 -14.301 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 6.998 6.038 -14.176 1.00 25.00 H new ATOM 1375 N SER A 682 1.598 3.036 -15.709 1.00 25.00 N ATOM 1376 CA SER A 682 1.047 2.030 -16.604 1.00 25.00 C ATOM 1377 C SER A 682 1.944 1.833 -17.803 1.00 25.00 C ATOM 1378 O SER A 682 2.803 2.668 -18.100 1.00 25.00 O ATOM 1379 CB SER A 682 -0.330 2.470 -17.100 1.00 25.00 C ATOM 1380 OG SER A 682 -0.212 3.401 -18.168 1.00 25.00 O ATOM 0 H SER A 682 1.243 3.979 -15.867 1.00 25.00 H new ATOM 0 HA SER A 682 0.968 1.095 -16.050 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.896 1.600 -17.432 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.889 2.920 -16.280 1.00 25.00 H new ATOM 0 HG SER A 682 -0.040 2.920 -19.004 1.00 25.00 H new ATOM 1386 N LYS A 683 1.726 0.745 -18.524 1.00 25.00 N ATOM 1387 CA LYS A 683 2.448 0.537 -19.775 1.00 25.00 C ATOM 1388 C LYS A 683 1.861 1.557 -20.740 1.00 25.00 C ATOM 1389 O LYS A 683 0.669 1.844 -20.671 1.00 25.00 O ATOM 1390 CB LYS A 683 2.228 -0.871 -20.327 1.00 25.00 C ATOM 1391 CG LYS A 683 3.275 -1.289 -21.370 1.00 25.00 C ATOM 1392 CD LYS A 683 2.797 -2.446 -22.246 1.00 25.00 C ATOM 1393 CE LYS A 683 1.779 -1.952 -23.276 1.00 25.00 C ATOM 1394 NZ LYS A 683 1.354 -3.020 -24.243 1.00 25.00 N ATOM 0 H LYS A 683 1.070 0.005 -18.275 1.00 25.00 H new ATOM 0 HA LYS A 683 3.522 0.651 -19.630 1.00 25.00 H new ATOM 0 HB2 LYS A 683 2.244 -1.583 -19.502 1.00 25.00 H new ATOM 0 HB3 LYS A 683 1.236 -0.926 -20.776 1.00 25.00 H new ATOM 0 HG2 LYS A 683 3.515 -0.434 -22.002 1.00 25.00 H new ATOM 0 HG3 LYS A 683 4.195 -1.578 -20.861 1.00 25.00 H new ATOM 0 HD2 LYS A 683 3.647 -2.900 -22.755 1.00 25.00 H new ATOM 0 HD3 LYS A 683 2.348 -3.220 -21.624 1.00 25.00 H new ATOM 0 HE2 LYS A 683 0.900 -1.571 -22.756 1.00 25.00 H new ATOM 0 HE3 LYS A 683 2.208 -1.118 -23.831 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 0.665 -2.626 -24.915 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 2.185 -3.368 -24.763 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 0.918 -3.807 -23.721 1.00 25.00 H new ATOM 1408 N ALA A 684 2.671 2.092 -21.634 1.00 25.00 N ATOM 1409 CA ALA A 684 2.182 3.039 -22.627 1.00 25.00 C ATOM 1410 C ALA A 684 1.286 2.334 -23.635 1.00 25.00 C ATOM 1411 O ALA A 684 1.480 1.153 -23.936 1.00 25.00 O ATOM 1412 CB ALA A 684 3.372 3.690 -23.352 1.00 25.00 C ATOM 0 H ALA A 684 3.669 1.890 -21.696 1.00 25.00 H new ATOM 0 HA ALA A 684 1.600 3.810 -22.122 1.00 25.00 H new ATOM 0 HB1 ALA A 684 3.003 4.398 -24.094 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.996 4.215 -22.629 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.962 2.919 -23.848 1.00 25.00 H new ATOM 1418 N ALA A 685 0.336 3.075 -24.177 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.488 2.598 -25.272 1.00 25.00 C ATOM 1420 C ALA A 685 -0.392 3.717 -26.291 1.00 25.00 C ATOM 1421 O ALA A 685 -0.293 4.887 -25.909 1.00 25.00 O ATOM 1422 CB ALA A 685 -1.933 2.366 -24.831 1.00 25.00 C ATOM 0 H ALA A 685 0.115 4.022 -23.871 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.157 1.636 -25.663 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -2.519 2.009 -25.678 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -1.955 1.622 -24.035 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.356 3.301 -24.465 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.396 3.365 -27.564 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.269 4.337 -28.632 1.00 25.00 C ATOM 1430 C HIS A 686 -1.147 3.995 -29.815 1.00 25.00 C ATOM 1431 O HIS A 686 -1.407 2.822 -30.081 1.00 25.00 O ATOM 1432 CB HIS A 686 1.182 4.426 -29.083 1.00 25.00 C ATOM 1433 CG HIS A 686 1.801 3.096 -29.383 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.736 2.463 -30.598 1.00 25.00 N ATOM 1435 CD2 HIS A 686 2.520 2.256 -28.586 1.00 25.00 C ATOM 1436 CE1 HIS A 686 2.385 1.307 -30.501 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.879 1.124 -29.292 1.00 25.00 N ATOM 0 H HIS A 686 -0.487 2.401 -27.885 1.00 25.00 H new ATOM 0 HA HIS A 686 -0.597 5.300 -28.239 1.00 25.00 H new ATOM 0 HB2 HIS A 686 1.239 5.053 -29.973 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.765 4.921 -28.307 1.00 25.00 H new ATOM 0 HD2 HIS A 686 2.772 2.447 -27.553 1.00 25.00 H new ATOM 0 HE1 HIS A 686 2.494 0.604 -31.313 1.00 25.00 H new ATOM 0 HE2 HIS A 686 3.410 0.322 -28.952 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.613 5.019 -30.514 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.431 4.824 -31.704 1.00 25.00 C ATOM 1447 C PHE A 687 -2.122 5.918 -32.718 1.00 25.00 C ATOM 1448 O PHE A 687 -1.616 6.983 -32.353 1.00 25.00 O ATOM 1449 CB PHE A 687 -3.925 4.756 -31.351 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.606 6.093 -31.237 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.442 6.897 -30.092 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.447 6.543 -32.271 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.138 8.135 -29.973 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.136 7.763 -32.162 1.00 25.00 C ATOM 1455 CZ PHE A 687 -5.990 8.558 -31.008 1.00 25.00 C ATOM 0 H PHE A 687 -1.439 5.996 -30.278 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.184 3.864 -32.157 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.437 4.166 -32.111 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.037 4.225 -30.406 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -3.784 6.573 -29.299 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.565 5.943 -33.161 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.011 8.746 -29.091 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.779 8.092 -32.965 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.531 9.489 -30.919 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.406 5.634 -33.980 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.120 6.543 -35.093 1.00 25.00 C ATOM 1467 C VAL A 688 -3.445 6.784 -35.807 1.00 25.00 C ATOM 1468 O VAL A 688 -4.249 5.859 -35.929 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.073 5.902 -36.073 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.788 6.812 -37.284 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.244 5.614 -35.328 1.00 25.00 C ATOM 0 H VAL A 688 -2.845 4.760 -34.269 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.692 7.479 -34.735 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.502 4.970 -36.443 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.059 6.332 -37.937 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.712 6.983 -37.836 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.391 7.766 -36.937 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.962 5.170 -36.017 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.649 6.545 -34.932 1.00 25.00 H new ATOM 0 HG23 VAL A 688 0.054 4.923 -34.507 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.686 8.006 -36.262 1.00 25.00 N ATOM 1482 CA PHE A 689 -4.938 8.346 -36.930 1.00 25.00 C ATOM 1483 C PHE A 689 -4.706 9.457 -37.960 1.00 25.00 C ATOM 1484 O PHE A 689 -3.687 10.143 -37.920 1.00 25.00 O ATOM 1485 CB PHE A 689 -5.969 8.770 -35.876 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.361 8.971 -36.423 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.827 10.261 -36.750 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.220 7.872 -36.604 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -9.130 10.456 -37.252 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.529 8.054 -37.117 1.00 25.00 C ATOM 1491 CZ PHE A 689 -9.980 9.350 -37.443 1.00 25.00 C ATOM 0 H PHE A 689 -3.029 8.782 -36.181 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.320 7.476 -37.465 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -6.004 8.013 -35.092 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.636 9.697 -35.410 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -7.176 11.112 -36.614 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -7.879 6.879 -36.350 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.475 11.451 -37.489 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.179 7.203 -37.258 1.00 25.00 H new ATOM 0 HZ PHE A 689 -10.975 9.494 -37.838 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.660 9.606 -38.874 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.666 10.628 -39.928 1.00 25.00 C ATOM 1503 C ARG A 690 -7.105 10.657 -40.431 1.00 25.00 C ATOM 1504 O ARG A 690 -7.811 9.662 -40.283 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.723 10.257 -41.082 1.00 25.00 C ATOM 1506 CG ARG A 690 -4.651 8.751 -41.396 1.00 25.00 C ATOM 1507 CD ARG A 690 -4.806 8.464 -42.888 1.00 25.00 C ATOM 1508 NE ARG A 690 -3.579 7.874 -43.442 1.00 25.00 N ATOM 1509 CZ ARG A 690 -3.402 7.491 -44.698 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -4.337 7.613 -45.608 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -2.258 6.973 -45.032 1.00 25.00 N ATOM 0 H ARG A 690 -6.480 9.000 -38.907 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.325 11.591 -39.547 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -5.043 10.786 -41.979 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -3.721 10.613 -40.843 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.697 8.355 -41.049 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -5.433 8.229 -40.844 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -5.644 7.785 -43.046 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -5.040 9.388 -43.417 1.00 25.00 H new ATOM 0 HE ARG A 690 -2.794 7.748 -42.803 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -5.241 8.015 -45.360 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -4.161 7.306 -46.565 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -1.522 6.869 -44.334 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -2.096 6.670 -45.992 1.00 25.00 H new ATOM 1525 N THR A 691 -7.540 11.759 -41.020 1.00 25.00 N ATOM 1526 CA THR A 691 -8.905 11.875 -41.548 1.00 25.00 C ATOM 1527 C THR A 691 -8.870 12.794 -42.779 1.00 25.00 C ATOM 1528 O THR A 691 -7.795 13.162 -43.234 1.00 25.00 O ATOM 1529 CB THR A 691 -9.890 12.393 -40.442 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.240 12.322 -40.915 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.590 13.827 -40.015 1.00 25.00 C ATOM 0 H THR A 691 -6.970 12.595 -41.149 1.00 25.00 H new ATOM 0 HA THR A 691 -9.279 10.897 -41.851 1.00 25.00 H new ATOM 0 HB THR A 691 -9.754 11.749 -39.573 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.848 12.645 -40.218 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.301 14.135 -39.248 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.578 13.883 -39.615 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.677 14.489 -40.877 1.00 25.00 H new ATOM 1539 N HIS A 692 -10.040 13.142 -43.314 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.165 14.033 -44.478 1.00 25.00 C ATOM 1541 C HIS A 692 -9.309 13.552 -45.662 1.00 25.00 C ATOM 1542 O HIS A 692 -8.640 14.339 -46.334 1.00 25.00 O ATOM 1543 CB HIS A 692 -9.799 15.473 -44.082 1.00 25.00 C ATOM 1544 CG HIS A 692 -10.570 16.516 -44.831 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -10.586 16.640 -46.197 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -11.388 17.507 -44.378 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -11.362 17.669 -46.513 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -11.878 18.237 -45.442 1.00 25.00 N ATOM 0 H HIS A 692 -10.936 12.814 -42.953 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.204 14.012 -44.808 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -9.973 15.602 -43.014 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -8.734 15.628 -44.253 1.00 25.00 H new ATOM 0 HD1 HIS A 692 -10.087 16.043 -46.857 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -11.619 17.694 -43.340 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -11.548 18.000 -47.524 1.00 25.00 H new