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=-0.00885 USER MOD Set 1.2: A 692 HIS : no HE2:sc= -0.282 X(o=-0.29,f=-0.77) USER MOD Set 2.1: A 616 SER OG : rot 72:sc= 0.976 USER MOD Set 2.2: A 661 LYS NZ :NH3+ 162:sc= 0.797 (180deg=0.0398) USER MOD Set 3.1: A 629 SER OG : rot 174:sc= 0.33 USER MOD Set 3.2: A 678 GLN :FLIP amide:sc= 0.154 F(o=-0.97,f=-0.085) USER MOD Set 3.3: A 679 GLN : amide:sc= -0.569 K(o=-0.085,f=-2.1) USER MOD Set 4.1: A 620 ASN : amide:sc= 0.122 K(o=1.7,f=-0.52) USER MOD Set 4.2: A 623 LYS NZ :NH3+ -162:sc= 1.62 (180deg=0.868) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ -176:sc= 0.715 (180deg=0.685) USER MOD Single : A 609 GLN : amide:sc= 0.22 X(o=0.22,f=-0.14) USER MOD Single : A 610 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 615 ASN : amide:sc= 0.402 K(o=0.4,f=-0.64) USER MOD Single : A 618 LYS NZ :NH3+ -156:sc= 1.06 (180deg=0.525) USER MOD Single : A 624 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.67) USER MOD Single : A 633 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.13) USER MOD Single : A 634 TYR OH : rot 82:sc= 0.779 USER MOD Single : A 638 TYR OH : rot 51:sc= 1.01 USER MOD Single : A 642 SER OG : rot -41:sc= 0.556 USER MOD Single : A 643 SER OG : rot 91:sc= 0.237 USER MOD Single : A 646 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.23) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot -67:sc= 0.431 USER MOD Single : A 657 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 659 MET CE :methyl 152:sc= -0.0271 (180deg=-1.19) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 666 ASN : amide:sc= 0.384 K(o=0.38,f=-3.6!) USER MOD Single : A 669 TYR OH : rot 64:sc= 1.15 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= 0.37 K(o=0.37,f=-7.6!) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 SER OG : rot 81:sc= 1.02 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=-0.038) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 -0.105 -3.537 -3.784 1.00 25.00 N ATOM 52 CA VAL A 598 -0.831 -2.805 -4.822 1.00 25.00 C ATOM 53 C VAL A 598 -0.007 -2.835 -6.108 1.00 25.00 C ATOM 54 O VAL A 598 1.174 -2.499 -6.115 1.00 25.00 O ATOM 55 CB VAL A 598 -1.187 -1.335 -4.363 1.00 25.00 C ATOM 56 CG1 VAL A 598 -0.296 -0.861 -3.203 1.00 25.00 C ATOM 57 CG2 VAL A 598 -1.108 -0.335 -5.530 1.00 25.00 C ATOM 0 HA VAL A 598 -1.789 -3.290 -5.009 1.00 25.00 H new ATOM 0 HB VAL A 598 -2.217 -1.369 -4.009 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -0.576 0.154 -2.920 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -0.427 -1.525 -2.349 1.00 25.00 H new ATOM 0 HG13 VAL A 598 0.748 -0.876 -3.517 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -1.360 0.663 -5.172 1.00 25.00 H new ATOM 0 HG22 VAL A 598 -0.097 -0.330 -5.937 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -1.811 -0.629 -6.309 1.00 25.00 H new ATOM 67 N ARG A 599 -0.640 -3.256 -7.197 1.00 25.00 N ATOM 68 CA ARG A 599 0.033 -3.324 -8.496 1.00 25.00 C ATOM 69 C ARG A 599 -0.064 -1.985 -9.216 1.00 25.00 C ATOM 70 O ARG A 599 -0.942 -1.170 -8.915 1.00 25.00 O ATOM 71 CB ARG A 599 -0.577 -4.434 -9.371 1.00 25.00 C ATOM 72 CG ARG A 599 -1.995 -4.145 -9.888 1.00 25.00 C ATOM 73 CD ARG A 599 -2.498 -5.287 -10.763 1.00 25.00 C ATOM 74 NE ARG A 599 -3.734 -4.931 -11.486 1.00 25.00 N ATOM 75 CZ ARG A 599 -4.485 -5.776 -12.185 1.00 25.00 C ATOM 76 NH1 ARG A 599 -4.193 -7.049 -12.291 1.00 25.00 N ATOM 77 NH2 ARG A 599 -5.550 -5.332 -12.785 1.00 25.00 N ATOM 0 H ARG A 599 -1.615 -3.555 -7.210 1.00 25.00 H new ATOM 0 HA ARG A 599 1.083 -3.557 -8.320 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.078 -4.604 -10.226 1.00 25.00 H new ATOM 0 HB3 ARG A 599 -0.597 -5.360 -8.796 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.672 -4.002 -9.045 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -1.996 -3.216 -10.459 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -1.725 -5.560 -11.481 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -2.682 -6.164 -10.143 1.00 25.00 H new ATOM 0 HE ARG A 599 -4.037 -3.958 -11.446 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -3.365 -7.422 -11.828 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -4.794 -7.666 -12.837 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -5.800 -4.346 -12.716 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -6.135 -5.970 -13.325 1.00 25.00 H new ATOM 91 N GLU A 600 0.827 -1.780 -10.173 1.00 25.00 N ATOM 92 CA GLU A 600 0.821 -0.571 -10.993 1.00 25.00 C ATOM 93 C GLU A 600 -0.429 -0.584 -11.880 1.00 25.00 C ATOM 94 O GLU A 600 -0.991 -1.654 -12.154 1.00 25.00 O ATOM 95 CB GLU A 600 2.072 -0.530 -11.879 1.00 25.00 C ATOM 96 CG GLU A 600 3.367 -0.404 -11.103 1.00 25.00 C ATOM 97 CD GLU A 600 4.565 -0.197 -12.023 1.00 25.00 C ATOM 98 OE1 GLU A 600 5.058 0.954 -12.124 1.00 25.00 O ATOM 99 OE2 GLU A 600 5.018 -1.186 -12.636 1.00 25.00 O ATOM 0 H GLU A 600 1.570 -2.439 -10.405 1.00 25.00 H new ATOM 0 HA GLU A 600 0.816 0.307 -10.347 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.108 -1.437 -12.483 1.00 25.00 H new ATOM 0 HB3 GLU A 600 1.990 0.310 -12.569 1.00 25.00 H new ATOM 0 HG2 GLU A 600 3.294 0.433 -10.409 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.520 -1.302 -10.505 1.00 25.00 H new ATOM 106 N PRO A 601 -0.889 0.595 -12.335 1.00 25.00 N ATOM 107 CA PRO A 601 -2.085 0.556 -13.184 1.00 25.00 C ATOM 108 C PRO A 601 -1.882 -0.114 -14.544 1.00 25.00 C ATOM 109 O PRO A 601 -0.772 -0.241 -15.059 1.00 25.00 O ATOM 110 CB PRO A 601 -2.446 2.032 -13.339 1.00 25.00 C ATOM 111 CG PRO A 601 -1.169 2.761 -13.146 1.00 25.00 C ATOM 112 CD PRO A 601 -0.414 1.978 -12.123 1.00 25.00 C ATOM 0 HA PRO A 601 -2.867 -0.054 -12.731 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.871 2.233 -14.322 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -3.189 2.336 -12.602 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.610 2.828 -14.080 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.347 3.781 -12.807 1.00 25.00 H new ATOM 0 HD2 PRO A 601 0.663 2.060 -12.268 1.00 25.00 H new ATOM 0 HD3 PRO A 601 -0.627 2.326 -11.112 1.00 25.00 H new ATOM 120 N SER A 602 -2.993 -0.536 -15.120 1.00 25.00 N ATOM 121 CA SER A 602 -3.018 -1.209 -16.409 1.00 25.00 C ATOM 122 C SER A 602 -2.969 -0.145 -17.494 1.00 25.00 C ATOM 123 O SER A 602 -3.336 1.003 -17.256 1.00 25.00 O ATOM 124 CB SER A 602 -4.275 -2.070 -16.549 1.00 25.00 C ATOM 125 OG SER A 602 -4.345 -3.033 -15.507 1.00 25.00 O ATOM 0 H SER A 602 -3.916 -0.420 -14.702 1.00 25.00 H new ATOM 0 HA SER A 602 -2.160 -1.875 -16.499 1.00 25.00 H new ATOM 0 HB2 SER A 602 -5.161 -1.435 -16.524 1.00 25.00 H new ATOM 0 HB3 SER A 602 -4.271 -2.573 -17.516 1.00 25.00 H new ATOM 0 HG SER A 602 -5.157 -3.572 -15.614 1.00 25.00 H new ATOM 131 N ALA A 603 -2.492 -0.516 -18.673 1.00 25.00 N ATOM 132 CA ALA A 603 -2.411 0.423 -19.789 1.00 25.00 C ATOM 133 C ALA A 603 -3.774 1.113 -20.015 1.00 25.00 C ATOM 134 O ALA A 603 -4.838 0.490 -19.831 1.00 25.00 O ATOM 135 CB ALA A 603 -1.968 -0.321 -21.063 1.00 25.00 C ATOM 0 H ALA A 603 -2.156 -1.456 -18.884 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.675 1.191 -19.552 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -1.909 0.383 -21.893 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -0.989 -0.772 -20.899 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.692 -1.101 -21.299 1.00 25.00 H new ATOM 141 N PRO A 604 -3.762 2.399 -20.415 1.00 25.00 N ATOM 142 CA PRO A 604 -5.038 3.078 -20.651 1.00 25.00 C ATOM 143 C PRO A 604 -5.793 2.477 -21.828 1.00 25.00 C ATOM 144 O PRO A 604 -5.224 1.782 -22.669 1.00 25.00 O ATOM 145 CB PRO A 604 -4.616 4.525 -20.907 1.00 25.00 C ATOM 146 CG PRO A 604 -3.264 4.411 -21.437 1.00 25.00 C ATOM 147 CD PRO A 604 -2.628 3.302 -20.679 1.00 25.00 C ATOM 0 HA PRO A 604 -5.734 2.984 -19.818 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.283 5.015 -21.617 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.637 5.115 -19.990 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.279 4.197 -22.506 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.712 5.342 -21.306 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -1.846 2.811 -21.259 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -2.167 3.654 -19.756 1.00 25.00 H new ATOM 155 N LYS A 605 -7.089 2.735 -21.859 1.00 25.00 N ATOM 156 CA LYS A 605 -7.977 2.124 -22.849 1.00 25.00 C ATOM 157 C LYS A 605 -8.053 3.044 -24.058 1.00 25.00 C ATOM 158 O LYS A 605 -7.992 4.251 -23.906 1.00 25.00 O ATOM 159 CB LYS A 605 -9.356 1.904 -22.211 1.00 25.00 C ATOM 160 CG LYS A 605 -9.563 0.489 -21.590 1.00 25.00 C ATOM 161 CD LYS A 605 -8.478 0.032 -20.560 1.00 25.00 C ATOM 162 CE LYS A 605 -8.496 0.819 -19.236 1.00 25.00 C ATOM 163 NZ LYS A 605 -7.392 0.332 -18.317 1.00 25.00 N ATOM 0 H LYS A 605 -7.557 3.366 -21.209 1.00 25.00 H new ATOM 0 HA LYS A 605 -7.601 1.155 -23.177 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.506 2.653 -21.434 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.123 2.071 -22.967 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -10.536 0.468 -21.098 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.599 -0.240 -22.399 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -8.622 -1.026 -20.343 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -7.494 0.133 -21.017 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -8.369 1.883 -19.436 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -9.463 0.700 -18.748 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -7.459 0.824 -17.403 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -7.492 -0.692 -18.167 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -6.467 0.530 -18.750 1.00 25.00 H new ATOM 177 N LEU A 606 -8.164 2.489 -25.253 1.00 25.00 N ATOM 178 CA LEU A 606 -8.172 3.301 -26.465 1.00 25.00 C ATOM 179 C LEU A 606 -9.279 2.858 -27.401 1.00 25.00 C ATOM 180 O LEU A 606 -9.259 1.750 -27.911 1.00 25.00 O ATOM 181 CB LEU A 606 -6.802 3.210 -27.166 1.00 25.00 C ATOM 182 CG LEU A 606 -6.529 4.107 -28.396 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.031 3.488 -29.703 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.124 5.505 -28.217 1.00 25.00 C ATOM 0 H LEU A 606 -8.250 1.485 -25.413 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.359 4.339 -26.189 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.036 3.430 -26.422 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.658 2.175 -27.475 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.445 4.193 -28.467 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -6.812 4.161 -30.532 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.531 2.534 -29.869 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.107 3.328 -29.640 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -6.912 6.107 -29.101 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.203 5.427 -28.081 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.682 5.979 -27.341 1.00 25.00 H new ATOM 196 N GLU A 607 -10.238 3.749 -27.624 1.00 25.00 N ATOM 197 CA GLU A 607 -11.368 3.453 -28.508 1.00 25.00 C ATOM 198 C GLU A 607 -11.269 4.212 -29.841 1.00 25.00 C ATOM 199 O GLU A 607 -12.059 3.987 -30.747 1.00 25.00 O ATOM 200 CB GLU A 607 -12.691 3.780 -27.809 1.00 25.00 C ATOM 201 CG GLU A 607 -12.743 3.375 -26.329 1.00 25.00 C ATOM 202 CD GLU A 607 -12.301 1.946 -26.056 1.00 25.00 C ATOM 203 OE1 GLU A 607 -11.383 1.773 -25.217 1.00 25.00 O ATOM 204 OE2 GLU A 607 -12.861 1.007 -26.655 1.00 25.00 O ATOM 0 H GLU A 607 -10.259 4.680 -27.208 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.335 2.387 -28.734 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -12.874 4.852 -27.887 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.501 3.279 -28.339 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -12.112 4.054 -25.756 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -13.762 3.504 -25.965 1.00 25.00 H new ATOM 211 N GLY A 608 -10.283 5.101 -29.950 1.00 25.00 N ATOM 212 CA GLY A 608 -10.006 5.800 -31.208 1.00 25.00 C ATOM 213 C GLY A 608 -11.151 6.606 -31.797 1.00 25.00 C ATOM 214 O GLY A 608 -11.341 6.627 -33.008 1.00 25.00 O ATOM 0 H GLY A 608 -9.661 5.356 -29.183 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.162 6.471 -31.048 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.691 5.063 -31.947 1.00 25.00 H new ATOM 218 N GLN A 609 -11.928 7.264 -30.953 1.00 25.00 N ATOM 219 CA GLN A 609 -13.125 7.965 -31.414 1.00 25.00 C ATOM 220 C GLN A 609 -12.786 9.329 -32.001 1.00 25.00 C ATOM 221 O GLN A 609 -12.352 10.226 -31.285 1.00 25.00 O ATOM 222 CB GLN A 609 -14.106 8.118 -30.254 1.00 25.00 C ATOM 223 CG GLN A 609 -14.618 6.775 -29.732 1.00 25.00 C ATOM 224 CD GLN A 609 -15.423 6.027 -30.768 1.00 25.00 C ATOM 225 OE1 GLN A 609 -16.467 6.483 -31.199 1.00 25.00 O ATOM 226 NE2 GLN A 609 -14.937 4.888 -31.176 1.00 25.00 N ATOM 0 H GLN A 609 -11.757 7.330 -29.950 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.583 7.372 -32.206 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.620 8.657 -29.441 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -14.952 8.724 -30.577 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -13.772 6.162 -29.421 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -15.233 6.942 -28.848 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -14.059 4.541 -30.790 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -15.435 4.344 -31.881 1.00 25.00 H new ATOM 235 N MET A 610 -12.997 9.472 -33.301 1.00 25.00 N ATOM 236 CA MET A 610 -12.708 10.713 -34.027 1.00 25.00 C ATOM 237 C MET A 610 -13.457 11.913 -33.446 1.00 25.00 C ATOM 238 O MET A 610 -14.514 11.765 -32.837 1.00 25.00 O ATOM 239 CB MET A 610 -13.069 10.552 -35.516 1.00 25.00 C ATOM 240 CG MET A 610 -14.573 10.448 -35.820 1.00 25.00 C ATOM 241 SD MET A 610 -15.311 8.877 -35.300 1.00 25.00 S ATOM 242 CE MET A 610 -17.057 9.314 -35.254 1.00 25.00 C ATOM 0 H MET A 610 -13.375 8.730 -33.890 1.00 25.00 H new ATOM 0 HA MET A 610 -11.640 10.905 -33.921 1.00 25.00 H new ATOM 0 HB2 MET A 610 -12.662 11.401 -36.065 1.00 25.00 H new ATOM 0 HB3 MET A 610 -12.575 9.659 -35.898 1.00 25.00 H new ATOM 0 HG2 MET A 610 -15.093 11.267 -35.322 1.00 25.00 H new ATOM 0 HG3 MET A 610 -14.728 10.576 -36.891 1.00 25.00 H new ATOM 0 HE1 MET A 610 -17.641 8.446 -34.949 1.00 25.00 H new ATOM 0 HE2 MET A 610 -17.211 10.123 -34.540 1.00 25.00 H new ATOM 0 HE3 MET A 610 -17.377 9.638 -36.244 1.00 25.00 H new ATOM 252 N GLY A 611 -12.899 13.102 -33.628 1.00 25.00 N ATOM 253 CA GLY A 611 -13.528 14.311 -33.118 1.00 25.00 C ATOM 254 C GLY A 611 -14.354 15.004 -34.179 1.00 25.00 C ATOM 255 O GLY A 611 -13.855 15.285 -35.265 1.00 25.00 O ATOM 0 H GLY A 611 -12.019 13.254 -34.121 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -14.164 14.060 -32.269 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -12.761 14.993 -32.751 1.00 25.00 H new ATOM 259 N GLU A 612 -15.608 15.287 -33.862 1.00 25.00 N ATOM 260 CA GLU A 612 -16.538 15.939 -34.789 1.00 25.00 C ATOM 261 C GLU A 612 -16.116 17.380 -35.051 1.00 25.00 C ATOM 262 O GLU A 612 -16.432 17.954 -36.083 1.00 25.00 O ATOM 263 CB GLU A 612 -17.958 15.937 -34.198 1.00 25.00 C ATOM 264 CG GLU A 612 -18.577 14.538 -34.006 1.00 25.00 C ATOM 265 CD GLU A 612 -18.077 13.800 -32.756 1.00 25.00 C ATOM 266 OE1 GLU A 612 -18.377 12.597 -32.624 1.00 25.00 O ATOM 267 OE2 GLU A 612 -17.380 14.405 -31.904 1.00 25.00 O ATOM 0 H GLU A 612 -16.017 15.073 -32.952 1.00 25.00 H new ATOM 0 HA GLU A 612 -16.525 15.384 -35.727 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -17.936 16.444 -33.234 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -18.608 16.520 -34.850 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -19.661 14.636 -33.948 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -18.359 13.932 -34.885 1.00 25.00 H new ATOM 274 N ASP A 613 -15.387 17.947 -34.099 1.00 25.00 N ATOM 275 CA ASP A 613 -14.868 19.312 -34.194 1.00 25.00 C ATOM 276 C ASP A 613 -13.928 19.476 -35.381 1.00 25.00 C ATOM 277 O ASP A 613 -13.734 20.576 -35.897 1.00 25.00 O ATOM 278 CB ASP A 613 -13.997 19.651 -32.967 1.00 25.00 C ATOM 279 CG ASP A 613 -14.669 19.377 -31.638 1.00 25.00 C ATOM 280 OD1 ASP A 613 -14.797 20.330 -30.839 1.00 25.00 O ATOM 281 OD2 ASP A 613 -15.016 18.211 -31.357 1.00 25.00 O ATOM 0 H ASP A 613 -15.135 17.473 -33.232 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.745 19.954 -34.280 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -13.073 19.075 -33.020 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -13.719 20.704 -33.011 1.00 25.00 H new ATOM 286 N GLY A 614 -13.298 18.372 -35.767 1.00 25.00 N ATOM 287 CA GLY A 614 -12.201 18.426 -36.715 1.00 25.00 C ATOM 288 C GLY A 614 -10.978 18.855 -35.917 1.00 25.00 C ATOM 289 O GLY A 614 -11.124 19.433 -34.838 1.00 25.00 O ATOM 0 H GLY A 614 -13.530 17.435 -35.438 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -12.041 17.454 -37.182 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -12.412 19.134 -37.516 1.00 25.00 H new ATOM 293 N ASN A 615 -9.772 18.572 -36.408 1.00 25.00 N ATOM 294 CA ASN A 615 -8.530 18.968 -35.710 1.00 25.00 C ATOM 295 C ASN A 615 -8.520 18.432 -34.250 1.00 25.00 C ATOM 296 O ASN A 615 -7.869 19.004 -33.368 1.00 25.00 O ATOM 297 CB ASN A 615 -8.434 20.516 -35.744 1.00 25.00 C ATOM 298 CG ASN A 615 -7.015 21.031 -35.794 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.597 21.610 -36.778 1.00 25.00 O ATOM 300 ND2 ASN A 615 -6.287 20.844 -34.744 1.00 25.00 N ATOM 0 H ASN A 615 -9.619 18.072 -37.284 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.663 18.535 -36.210 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.977 20.887 -36.613 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.929 20.922 -34.862 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -5.327 21.187 -34.722 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.672 20.354 -33.937 1.00 25.00 H new ATOM 307 N SER A 616 -9.266 17.354 -34.000 1.00 25.00 N ATOM 308 CA SER A 616 -9.449 16.813 -32.647 1.00 25.00 C ATOM 309 C SER A 616 -9.739 15.309 -32.635 1.00 25.00 C ATOM 310 O SER A 616 -10.172 14.756 -33.648 1.00 25.00 O ATOM 311 CB SER A 616 -10.664 17.482 -32.002 1.00 25.00 C ATOM 312 OG SER A 616 -10.670 18.885 -32.186 1.00 25.00 O ATOM 0 H SER A 616 -9.759 16.832 -34.724 1.00 25.00 H new ATOM 0 HA SER A 616 -8.518 17.004 -32.114 1.00 25.00 H new ATOM 0 HB2 SER A 616 -11.575 17.059 -32.425 1.00 25.00 H new ATOM 0 HB3 SER A 616 -10.674 17.258 -30.935 1.00 25.00 H new ATOM 0 HG SER A 616 -10.877 19.091 -33.121 1.00 25.00 H new ATOM 318 N ILE A 617 -9.532 14.661 -31.489 1.00 25.00 N ATOM 319 CA ILE A 617 -9.865 13.234 -31.318 1.00 25.00 C ATOM 320 C ILE A 617 -10.032 12.887 -29.837 1.00 25.00 C ATOM 321 O ILE A 617 -9.405 13.516 -28.989 1.00 25.00 O ATOM 322 CB ILE A 617 -8.766 12.330 -31.951 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.272 10.887 -32.077 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.434 12.385 -31.153 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.708 10.130 -33.235 1.00 25.00 C ATOM 0 H ILE A 617 -9.134 15.098 -30.658 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.810 13.050 -31.830 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.554 12.716 -32.948 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -9.034 10.351 -31.158 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.358 10.903 -32.164 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.697 11.740 -31.631 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -7.062 13.410 -31.136 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.607 12.044 -30.132 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.120 9.121 -33.246 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -8.968 10.638 -34.163 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.623 10.077 -33.142 1.00 25.00 H new ATOM 337 N LYS A 618 -10.855 11.891 -29.521 1.00 25.00 N ATOM 338 CA LYS A 618 -11.052 11.452 -28.135 1.00 25.00 C ATOM 339 C LYS A 618 -10.378 10.104 -27.935 1.00 25.00 C ATOM 340 O LYS A 618 -10.617 9.155 -28.686 1.00 25.00 O ATOM 341 CB LYS A 618 -12.540 11.287 -27.782 1.00 25.00 C ATOM 342 CG LYS A 618 -13.467 12.435 -28.190 1.00 25.00 C ATOM 343 CD LYS A 618 -14.192 12.122 -29.505 1.00 25.00 C ATOM 344 CE LYS A 618 -15.607 12.676 -29.540 1.00 25.00 C ATOM 345 NZ LYS A 618 -16.364 12.060 -30.679 1.00 25.00 N ATOM 0 H LYS A 618 -11.400 11.368 -30.206 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.622 12.219 -27.491 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -12.903 10.372 -28.250 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -12.622 11.148 -26.704 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -14.199 12.613 -27.402 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -12.888 13.352 -28.300 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.623 12.537 -30.337 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -14.225 11.042 -29.649 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -16.114 12.465 -28.598 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -15.581 13.760 -29.652 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -17.142 12.691 -30.961 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.723 11.919 -31.486 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -16.753 11.143 -30.381 1.00 25.00 H new ATOM 359 N VAL A 619 -9.554 10.011 -26.911 1.00 25.00 N ATOM 360 CA VAL A 619 -8.900 8.757 -26.548 1.00 25.00 C ATOM 361 C VAL A 619 -9.429 8.506 -25.140 1.00 25.00 C ATOM 362 O VAL A 619 -9.649 9.453 -24.384 1.00 25.00 O ATOM 363 CB VAL A 619 -7.327 8.841 -26.672 1.00 25.00 C ATOM 364 CG1 VAL A 619 -6.864 10.274 -27.008 1.00 25.00 C ATOM 365 CG2 VAL A 619 -6.620 8.316 -25.415 1.00 25.00 C ATOM 0 H VAL A 619 -9.315 10.796 -26.305 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.124 7.923 -27.213 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.041 8.192 -27.499 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -5.777 10.296 -27.086 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.302 10.585 -27.956 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.185 10.954 -26.219 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.541 8.393 -25.546 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -6.924 8.908 -24.552 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -6.892 7.273 -25.253 1.00 25.00 H new ATOM 375 N ASN A 620 -9.682 7.254 -24.790 1.00 25.00 N ATOM 376 CA ASN A 620 -10.291 6.959 -23.501 1.00 25.00 C ATOM 377 C ASN A 620 -9.276 6.949 -22.384 1.00 25.00 C ATOM 378 O ASN A 620 -8.088 6.723 -22.585 1.00 25.00 O ATOM 379 CB ASN A 620 -11.049 5.636 -23.536 1.00 25.00 C ATOM 380 CG ASN A 620 -12.525 5.839 -23.712 1.00 25.00 C ATOM 381 OD1 ASN A 620 -13.311 5.552 -22.823 1.00 25.00 O ATOM 382 ND2 ASN A 620 -12.911 6.352 -24.851 1.00 25.00 N ATOM 0 H ASN A 620 -9.480 6.439 -25.368 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.001 7.761 -23.300 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.668 5.021 -24.351 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -10.866 5.089 -22.611 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -13.901 6.526 -25.022 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.222 6.578 -25.568 1.00 25.00 H new ATOM 389 N LEU A 621 -9.769 7.225 -21.196 1.00 25.00 N ATOM 390 CA LEU A 621 -8.961 7.262 -20.005 1.00 25.00 C ATOM 391 C LEU A 621 -9.556 6.337 -18.961 1.00 25.00 C ATOM 392 O LEU A 621 -10.747 6.050 -18.972 1.00 25.00 O ATOM 393 CB LEU A 621 -8.796 8.696 -19.533 1.00 25.00 C ATOM 394 CG LEU A 621 -7.359 9.144 -19.259 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.363 8.827 -20.383 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.411 10.653 -19.042 1.00 25.00 C ATOM 0 H LEU A 621 -10.754 7.432 -21.032 1.00 25.00 H new ATOM 0 HA LEU A 621 -7.955 6.895 -20.210 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.226 9.358 -20.284 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.378 8.828 -18.621 1.00 25.00 H new ATOM 0 HG LEU A 621 -6.994 8.592 -18.393 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.371 9.181 -20.101 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.331 7.750 -20.548 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.678 9.325 -21.300 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.407 11.027 -18.842 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -7.806 11.136 -19.936 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.057 10.876 -18.193 1.00 25.00 H new ATOM 408 N ILE A 622 -8.707 5.831 -18.093 1.00 25.00 N ATOM 409 CA ILE A 622 -9.118 4.913 -17.037 1.00 25.00 C ATOM 410 C ILE A 622 -10.214 5.564 -16.169 1.00 25.00 C ATOM 411 O ILE A 622 -10.068 6.684 -15.711 1.00 25.00 O ATOM 412 CB ILE A 622 -7.871 4.553 -16.206 1.00 25.00 C ATOM 413 CG1 ILE A 622 -6.932 3.680 -17.041 1.00 25.00 C ATOM 414 CG2 ILE A 622 -8.231 3.842 -14.929 1.00 25.00 C ATOM 415 CD1 ILE A 622 -5.523 4.179 -17.094 1.00 25.00 C ATOM 0 H ILE A 622 -7.709 6.041 -18.094 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.542 4.001 -17.458 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.372 5.483 -15.934 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -6.933 2.669 -16.633 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.322 3.614 -18.057 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -7.322 3.607 -14.375 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.870 4.484 -14.323 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.762 2.919 -15.163 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -4.921 3.506 -17.705 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -5.507 5.177 -17.531 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.113 4.218 -16.085 1.00 25.00 H new ATOM 427 N LYS A 623 -11.320 4.851 -15.959 1.00 25.00 N ATOM 428 CA LYS A 623 -12.442 5.372 -15.166 1.00 25.00 C ATOM 429 C LYS A 623 -12.816 4.513 -13.954 1.00 25.00 C ATOM 430 O LYS A 623 -13.874 4.680 -13.365 1.00 25.00 O ATOM 431 CB LYS A 623 -13.657 5.650 -16.066 1.00 25.00 C ATOM 432 CG LYS A 623 -14.200 4.439 -16.844 1.00 25.00 C ATOM 433 CD LYS A 623 -13.867 4.514 -18.328 1.00 25.00 C ATOM 434 CE LYS A 623 -14.898 5.382 -19.027 1.00 25.00 C ATOM 435 NZ LYS A 623 -14.311 6.231 -20.125 1.00 25.00 N ATOM 0 H LYS A 623 -11.467 3.910 -16.325 1.00 25.00 H new ATOM 0 HA LYS A 623 -12.095 6.313 -14.738 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -14.460 6.052 -15.448 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -13.386 6.427 -16.781 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -13.783 3.523 -16.425 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -15.281 4.383 -16.718 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -12.869 4.929 -18.469 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -13.861 3.514 -18.763 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -15.677 4.745 -19.446 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -15.377 6.029 -18.292 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -14.968 7.004 -20.355 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -13.404 6.630 -19.808 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -14.155 5.646 -20.971 1.00 25.00 H new ATOM 449 N GLN A 624 -11.937 3.591 -13.599 1.00 25.00 N ATOM 450 CA GLN A 624 -12.149 2.687 -12.465 1.00 25.00 C ATOM 451 C GLN A 624 -10.764 2.387 -11.915 1.00 25.00 C ATOM 452 O GLN A 624 -9.784 2.715 -12.566 1.00 25.00 O ATOM 453 CB GLN A 624 -12.854 1.390 -12.910 1.00 25.00 C ATOM 454 CG GLN A 624 -12.049 0.496 -13.876 1.00 25.00 C ATOM 455 CD GLN A 624 -11.966 1.055 -15.282 1.00 25.00 C ATOM 456 OE1 GLN A 624 -12.951 1.141 -15.992 1.00 25.00 O ATOM 457 NE2 GLN A 624 -10.790 1.442 -15.687 1.00 25.00 N ATOM 0 H GLN A 624 -11.053 3.442 -14.085 1.00 25.00 H new ATOM 0 HA GLN A 624 -12.793 3.141 -11.711 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -13.099 0.807 -12.022 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.797 1.655 -13.388 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -11.040 0.366 -13.484 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.507 -0.492 -13.912 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -9.984 1.357 -15.068 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -10.675 1.830 -16.623 1.00 25.00 H new ATOM 466 N ASP A 625 -10.655 1.768 -10.750 1.00 25.00 N ATOM 467 CA ASP A 625 -9.331 1.405 -10.240 1.00 25.00 C ATOM 468 C ASP A 625 -8.815 0.260 -11.112 1.00 25.00 C ATOM 469 O ASP A 625 -9.483 -0.756 -11.286 1.00 25.00 O ATOM 470 CB ASP A 625 -9.381 0.987 -8.766 1.00 25.00 C ATOM 471 CG ASP A 625 -7.993 0.926 -8.129 1.00 25.00 C ATOM 472 OD1 ASP A 625 -7.913 1.015 -6.892 1.00 25.00 O ATOM 473 OD2 ASP A 625 -6.980 0.809 -8.863 1.00 25.00 O ATOM 0 H ASP A 625 -11.439 1.510 -10.150 1.00 25.00 H new ATOM 0 HA ASP A 625 -8.664 2.266 -10.288 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -10.001 1.692 -8.212 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -9.858 0.010 -8.684 1.00 25.00 H new ATOM 478 N ASP A 626 -7.632 0.443 -11.674 1.00 25.00 N ATOM 479 CA ASP A 626 -7.034 -0.543 -12.569 1.00 25.00 C ATOM 480 C ASP A 626 -6.223 -1.573 -11.814 1.00 25.00 C ATOM 481 O ASP A 626 -5.705 -2.532 -12.406 1.00 25.00 O ATOM 482 CB ASP A 626 -6.091 0.150 -13.533 1.00 25.00 C ATOM 483 CG ASP A 626 -6.747 0.480 -14.865 1.00 25.00 C ATOM 484 OD1 ASP A 626 -5.989 0.641 -15.831 1.00 25.00 O ATOM 485 OD2 ASP A 626 -7.988 0.558 -14.976 1.00 25.00 O ATOM 0 H ASP A 626 -7.059 1.274 -11.526 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.853 -1.038 -13.091 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -5.723 1.069 -13.077 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -5.225 -0.488 -13.708 1.00 25.00 H new ATOM 490 N GLY A 627 -6.079 -1.390 -10.515 1.00 25.00 N ATOM 491 CA GLY A 627 -5.292 -2.321 -9.743 1.00 25.00 C ATOM 492 C GLY A 627 -5.454 -2.236 -8.249 1.00 25.00 C ATOM 493 O GLY A 627 -6.444 -2.686 -7.694 1.00 25.00 O ATOM 0 H GLY A 627 -6.489 -0.621 -9.985 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -5.546 -3.332 -10.060 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -4.240 -2.166 -9.985 1.00 25.00 H new ATOM 497 N GLY A 628 -4.438 -1.692 -7.598 1.00 25.00 N ATOM 498 CA GLY A 628 -4.410 -1.662 -6.139 1.00 25.00 C ATOM 499 C GLY A 628 -4.685 -0.320 -5.488 1.00 25.00 C ATOM 500 O GLY A 628 -4.917 -0.246 -4.284 1.00 25.00 O ATOM 0 H GLY A 628 -3.627 -1.268 -8.049 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -5.143 -2.378 -5.768 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -3.431 -2.008 -5.809 1.00 25.00 H new ATOM 504 N SER A 629 -4.637 0.741 -6.273 1.00 25.00 N ATOM 505 CA SER A 629 -4.902 2.086 -5.778 1.00 25.00 C ATOM 506 C SER A 629 -5.244 2.883 -7.023 1.00 25.00 C ATOM 507 O SER A 629 -4.576 2.716 -8.059 1.00 25.00 O ATOM 508 CB SER A 629 -3.679 2.689 -5.072 1.00 25.00 C ATOM 509 OG SER A 629 -4.035 3.889 -4.404 1.00 25.00 O ATOM 0 H SER A 629 -4.415 0.699 -7.268 1.00 25.00 H new ATOM 0 HA SER A 629 -5.700 2.091 -5.036 1.00 25.00 H new ATOM 0 HB2 SER A 629 -3.275 1.973 -4.356 1.00 25.00 H new ATOM 0 HB3 SER A 629 -2.893 2.890 -5.800 1.00 25.00 H new ATOM 0 HG SER A 629 -3.270 4.214 -3.885 1.00 25.00 H new ATOM 515 N PRO A 630 -6.276 3.743 -6.967 1.00 25.00 N ATOM 516 CA PRO A 630 -6.610 4.424 -8.217 1.00 25.00 C ATOM 517 C PRO A 630 -5.547 5.407 -8.687 1.00 25.00 C ATOM 518 O PRO A 630 -4.657 5.825 -7.930 1.00 25.00 O ATOM 519 CB PRO A 630 -7.936 5.118 -7.889 1.00 25.00 C ATOM 520 CG PRO A 630 -7.876 5.361 -6.440 1.00 25.00 C ATOM 521 CD PRO A 630 -7.191 4.140 -5.878 1.00 25.00 C ATOM 0 HA PRO A 630 -6.677 3.728 -9.053 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -8.044 6.050 -8.444 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.788 4.491 -8.151 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -7.317 6.269 -6.213 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -8.873 5.486 -6.017 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -6.650 4.367 -4.959 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -7.904 3.350 -5.641 1.00 25.00 H new ATOM 529 N ILE A 631 -5.664 5.751 -9.958 1.00 25.00 N ATOM 530 CA ILE A 631 -4.745 6.642 -10.656 1.00 25.00 C ATOM 531 C ILE A 631 -4.663 7.978 -9.912 1.00 25.00 C ATOM 532 O ILE A 631 -5.622 8.397 -9.265 1.00 25.00 O ATOM 533 CB ILE A 631 -5.244 6.834 -12.144 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.773 5.664 -13.044 1.00 25.00 C ATOM 535 CG2 ILE A 631 -4.727 8.142 -12.761 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.313 4.284 -12.690 1.00 25.00 C ATOM 0 H ILE A 631 -6.420 5.411 -10.552 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.744 6.213 -10.682 1.00 25.00 H new ATOM 0 HB ILE A 631 -6.333 6.862 -12.097 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -5.054 5.888 -14.073 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.684 5.624 -13.013 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -5.094 8.232 -13.783 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -5.082 8.988 -12.172 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -3.637 8.136 -12.766 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.915 3.547 -13.388 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -5.010 4.024 -11.676 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.401 4.292 -12.753 1.00 25.00 H new ATOM 548 N ARG A 632 -3.512 8.632 -10.001 1.00 25.00 N ATOM 549 CA ARG A 632 -3.311 9.955 -9.417 1.00 25.00 C ATOM 550 C ARG A 632 -3.258 10.970 -10.568 1.00 25.00 C ATOM 551 O ARG A 632 -3.940 11.997 -10.515 1.00 25.00 O ATOM 552 CB ARG A 632 -2.029 9.966 -8.558 1.00 25.00 C ATOM 553 CG ARG A 632 -2.255 9.828 -7.026 1.00 25.00 C ATOM 554 CD ARG A 632 -3.175 8.669 -6.638 1.00 25.00 C ATOM 555 NE ARG A 632 -3.534 8.734 -5.213 1.00 25.00 N ATOM 556 CZ ARG A 632 -4.361 7.900 -4.597 1.00 25.00 C ATOM 557 NH1 ARG A 632 -4.932 6.901 -5.217 1.00 25.00 N ATOM 558 NH2 ARG A 632 -4.616 8.072 -3.331 1.00 25.00 N ATOM 0 H ARG A 632 -2.691 8.262 -10.480 1.00 25.00 H new ATOM 0 HA ARG A 632 -4.130 10.223 -8.750 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -1.383 9.152 -8.888 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -1.492 10.896 -8.747 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -1.290 9.693 -6.537 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -2.678 10.758 -6.646 1.00 25.00 H new ATOM 0 HD2 ARG A 632 -4.079 8.699 -7.246 1.00 25.00 H new ATOM 0 HD3 ARG A 632 -2.680 7.721 -6.849 1.00 25.00 H new ATOM 0 HE ARG A 632 -3.114 9.478 -4.656 1.00 25.00 H new ATOM 0 HH11 ARG A 632 -4.747 6.743 -6.207 1.00 25.00 H new ATOM 0 HH12 ARG A 632 -5.563 6.280 -4.710 1.00 25.00 H new ATOM 0 HH21 ARG A 632 -4.181 8.842 -2.823 1.00 25.00 H new ATOM 0 HH22 ARG A 632 -5.251 7.436 -2.848 1.00 25.00 H new ATOM 572 N HIS A 633 -2.485 10.676 -11.615 1.00 25.00 N ATOM 573 CA HIS A 633 -2.367 11.570 -12.779 1.00 25.00 C ATOM 574 C HIS A 633 -2.343 10.831 -14.129 1.00 25.00 C ATOM 575 O HIS A 633 -2.058 9.638 -14.191 1.00 25.00 O ATOM 576 CB HIS A 633 -1.069 12.379 -12.654 1.00 25.00 C ATOM 577 CG HIS A 633 -0.960 13.147 -11.374 1.00 25.00 C ATOM 578 ND1 HIS A 633 -1.696 14.267 -11.078 1.00 25.00 N ATOM 579 CD2 HIS A 633 -0.181 12.936 -10.274 1.00 25.00 C ATOM 580 CE1 HIS A 633 -1.360 14.677 -9.859 1.00 25.00 C ATOM 581 NE2 HIS A 633 -0.444 13.903 -9.319 1.00 25.00 N ATOM 0 H HIS A 633 -1.928 9.824 -11.685 1.00 25.00 H new ATOM 0 HA HIS A 633 -3.253 12.205 -12.773 1.00 25.00 H new ATOM 0 HB2 HIS A 633 -0.219 11.701 -12.734 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -1.002 13.074 -13.491 1.00 25.00 H new ATOM 0 HD2 HIS A 633 0.534 12.134 -10.165 1.00 25.00 H new ATOM 0 HE1 HIS A 633 -1.787 15.541 -9.371 1.00 25.00 H new ATOM 0 HE2 HIS A 633 -0.019 13.995 -8.396 1.00 25.00 H new ATOM 589 N TYR A 634 -2.617 11.555 -15.207 1.00 25.00 N ATOM 590 CA TYR A 634 -2.510 11.023 -16.572 1.00 25.00 C ATOM 591 C TYR A 634 -1.571 11.902 -17.363 1.00 25.00 C ATOM 592 O TYR A 634 -1.559 13.122 -17.178 1.00 25.00 O ATOM 593 CB TYR A 634 -3.852 11.037 -17.294 1.00 25.00 C ATOM 594 CG TYR A 634 -4.868 10.125 -16.684 1.00 25.00 C ATOM 595 CD1 TYR A 634 -6.000 10.648 -16.039 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.715 8.729 -16.756 1.00 25.00 C ATOM 597 CE1 TYR A 634 -6.967 9.791 -15.465 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.672 7.872 -16.170 1.00 25.00 C ATOM 599 CZ TYR A 634 -6.785 8.419 -15.521 1.00 25.00 C ATOM 600 OH TYR A 634 -7.686 7.599 -14.925 1.00 25.00 O ATOM 0 H TYR A 634 -2.920 12.528 -15.166 1.00 25.00 H new ATOM 0 HA TYR A 634 -2.153 9.996 -16.498 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -4.244 12.054 -17.296 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.698 10.752 -18.335 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -6.134 11.718 -15.981 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -3.859 8.309 -17.263 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -7.842 10.204 -14.986 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.546 6.801 -16.222 1.00 25.00 H new ATOM 0 HH TYR A 634 -8.453 7.467 -15.521 1.00 25.00 H new ATOM 610 N LEU A 635 -0.799 11.283 -18.244 1.00 25.00 N ATOM 611 CA LEU A 635 0.140 12.003 -19.095 1.00 25.00 C ATOM 612 C LEU A 635 -0.079 11.567 -20.546 1.00 25.00 C ATOM 613 O LEU A 635 -0.056 10.369 -20.843 1.00 25.00 O ATOM 614 CB LEU A 635 1.587 11.705 -18.666 1.00 25.00 C ATOM 615 CG LEU A 635 1.964 11.955 -17.188 1.00 25.00 C ATOM 616 CD1 LEU A 635 1.797 10.688 -16.317 1.00 25.00 C ATOM 617 CD2 LEU A 635 3.418 12.411 -17.100 1.00 25.00 C ATOM 0 H LEU A 635 -0.804 10.273 -18.390 1.00 25.00 H new ATOM 0 HA LEU A 635 -0.029 13.076 -19.001 1.00 25.00 H new ATOM 0 HB2 LEU A 635 1.796 10.660 -18.893 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.251 12.305 -19.288 1.00 25.00 H new ATOM 0 HG LEU A 635 1.288 12.723 -16.811 1.00 25.00 H new ATOM 0 HD11 LEU A 635 2.074 10.915 -15.288 1.00 25.00 H new ATOM 0 HD12 LEU A 635 0.758 10.359 -16.349 1.00 25.00 H new ATOM 0 HD13 LEU A 635 2.441 9.896 -16.700 1.00 25.00 H new ATOM 0 HD21 LEU A 635 3.682 12.587 -16.057 1.00 25.00 H new ATOM 0 HD22 LEU A 635 4.067 11.639 -17.513 1.00 25.00 H new ATOM 0 HD23 LEU A 635 3.545 13.333 -17.667 1.00 25.00 H new ATOM 629 N VAL A 636 -0.281 12.520 -21.445 1.00 25.00 N ATOM 630 CA VAL A 636 -0.465 12.217 -22.875 1.00 25.00 C ATOM 631 C VAL A 636 0.624 12.927 -23.668 1.00 25.00 C ATOM 632 O VAL A 636 0.965 14.062 -23.354 1.00 25.00 O ATOM 633 CB VAL A 636 -1.857 12.695 -23.398 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.168 12.074 -24.769 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.969 12.341 -22.395 1.00 25.00 C ATOM 0 H VAL A 636 -0.323 13.514 -21.218 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.408 11.136 -23.002 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.818 13.779 -23.507 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.142 12.421 -25.113 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.403 12.372 -25.486 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.180 10.988 -24.682 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.929 12.684 -22.781 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -3.000 11.261 -22.252 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.767 12.828 -21.441 1.00 25.00 H new ATOM 645 N ARG A 637 1.164 12.279 -24.692 1.00 25.00 N ATOM 646 CA ARG A 637 2.219 12.859 -25.522 1.00 25.00 C ATOM 647 C ARG A 637 1.880 12.535 -26.969 1.00 25.00 C ATOM 648 O ARG A 637 1.568 11.395 -27.268 1.00 25.00 O ATOM 649 CB ARG A 637 3.561 12.229 -25.137 1.00 25.00 C ATOM 650 CG ARG A 637 4.757 12.989 -25.646 1.00 25.00 C ATOM 651 CD ARG A 637 5.964 12.091 -25.796 1.00 25.00 C ATOM 652 NE ARG A 637 7.142 12.866 -26.219 1.00 25.00 N ATOM 653 CZ ARG A 637 8.177 12.383 -26.900 1.00 25.00 C ATOM 654 NH1 ARG A 637 8.240 11.133 -27.290 1.00 25.00 N ATOM 655 NH2 ARG A 637 9.167 13.177 -27.196 1.00 25.00 N ATOM 0 H ARG A 637 0.886 11.339 -24.973 1.00 25.00 H new ATOM 0 HA ARG A 637 2.291 13.938 -25.382 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.621 12.160 -24.051 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.598 11.210 -25.523 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.518 13.442 -26.608 1.00 25.00 H new ATOM 0 HG3 ARG A 637 4.991 13.803 -24.959 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.172 11.592 -24.849 1.00 25.00 H new ATOM 0 HD3 ARG A 637 5.754 11.311 -26.528 1.00 25.00 H new ATOM 0 HE ARG A 637 7.166 13.855 -25.969 1.00 25.00 H new ATOM 0 HH11 ARG A 637 7.477 10.492 -27.073 1.00 25.00 H new ATOM 0 HH12 ARG A 637 9.052 10.802 -27.811 1.00 25.00 H new ATOM 0 HH21 ARG A 637 9.141 14.154 -26.906 1.00 25.00 H new ATOM 0 HH22 ARG A 637 9.968 12.821 -27.718 1.00 25.00 H new ATOM 669 N TYR A 638 1.925 13.506 -27.867 1.00 25.00 N ATOM 670 CA TYR A 638 1.575 13.247 -29.267 1.00 25.00 C ATOM 671 C TYR A 638 2.394 14.108 -30.216 1.00 25.00 C ATOM 672 O TYR A 638 2.957 15.119 -29.805 1.00 25.00 O ATOM 673 CB TYR A 638 0.066 13.446 -29.497 1.00 25.00 C ATOM 674 CG TYR A 638 -0.461 14.852 -29.297 1.00 25.00 C ATOM 675 CD1 TYR A 638 -0.870 15.629 -30.402 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.575 15.414 -28.007 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.399 16.936 -30.218 1.00 25.00 C ATOM 678 CE2 TYR A 638 -1.091 16.720 -27.830 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.508 17.462 -28.935 1.00 25.00 C ATOM 680 OH TYR A 638 -2.016 18.719 -28.746 1.00 25.00 O ATOM 0 H TYR A 638 2.195 14.468 -27.663 1.00 25.00 H new ATOM 0 HA TYR A 638 1.817 12.207 -29.483 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.170 13.133 -30.514 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.474 12.779 -28.825 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.780 15.226 -31.400 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.265 14.841 -27.146 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.715 17.518 -31.071 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -1.162 17.142 -26.839 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.873 18.799 -29.215 1.00 25.00 H new ATOM 690 N ARG A 639 2.467 13.684 -31.473 1.00 25.00 N ATOM 691 CA ARG A 639 3.260 14.352 -32.517 1.00 25.00 C ATOM 692 C ARG A 639 2.506 14.134 -33.807 1.00 25.00 C ATOM 693 O ARG A 639 1.793 13.150 -33.922 1.00 25.00 O ATOM 694 CB ARG A 639 4.663 13.708 -32.564 1.00 25.00 C ATOM 695 CG ARG A 639 5.500 13.822 -33.861 1.00 25.00 C ATOM 696 CD ARG A 639 5.065 12.790 -34.903 1.00 25.00 C ATOM 697 NE ARG A 639 6.176 12.114 -35.579 1.00 25.00 N ATOM 698 CZ ARG A 639 6.845 12.584 -36.624 1.00 25.00 C ATOM 699 NH1 ARG A 639 6.584 13.749 -37.173 1.00 25.00 N ATOM 700 NH2 ARG A 639 7.801 11.860 -37.135 1.00 25.00 N ATOM 0 H ARG A 639 1.973 12.856 -31.807 1.00 25.00 H new ATOM 0 HA ARG A 639 3.396 15.418 -32.333 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.251 14.141 -31.754 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.546 12.648 -32.341 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.396 14.825 -34.275 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.555 13.682 -33.627 1.00 25.00 H new ATOM 0 HD2 ARG A 639 4.440 12.041 -34.417 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.446 13.285 -35.651 1.00 25.00 H new ATOM 0 HE ARG A 639 6.459 11.204 -35.215 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.839 14.335 -36.796 1.00 25.00 H new ATOM 0 HH12 ARG A 639 7.127 14.067 -37.976 1.00 25.00 H new ATOM 0 HH21 ARG A 639 8.023 10.950 -36.731 1.00 25.00 H new ATOM 0 HH22 ARG A 639 8.327 12.204 -37.938 1.00 25.00 H new ATOM 714 N ALA A 640 2.674 15.025 -34.770 1.00 25.00 N ATOM 715 CA ALA A 640 2.033 14.897 -36.071 1.00 25.00 C ATOM 716 C ALA A 640 3.094 15.140 -37.140 1.00 25.00 C ATOM 717 O ALA A 640 4.228 15.459 -36.809 1.00 25.00 O ATOM 718 CB ALA A 640 0.903 15.887 -36.187 1.00 25.00 C ATOM 0 H ALA A 640 3.257 15.856 -34.674 1.00 25.00 H new ATOM 0 HA ALA A 640 1.608 13.901 -36.199 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.429 15.785 -37.163 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.169 15.694 -35.405 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.293 16.899 -36.077 1.00 25.00 H new ATOM 724 N LEU A 641 2.758 14.985 -38.410 1.00 25.00 N ATOM 725 CA LEU A 641 3.747 15.223 -39.461 1.00 25.00 C ATOM 726 C LEU A 641 4.175 16.694 -39.479 1.00 25.00 C ATOM 727 O LEU A 641 5.346 16.993 -39.695 1.00 25.00 O ATOM 728 CB LEU A 641 3.205 14.811 -40.837 1.00 25.00 C ATOM 729 CG LEU A 641 3.017 13.296 -41.069 1.00 25.00 C ATOM 730 CD1 LEU A 641 2.464 13.046 -42.471 1.00 25.00 C ATOM 731 CD2 LEU A 641 4.330 12.516 -40.902 1.00 25.00 C ATOM 0 H LEU A 641 1.834 14.703 -38.738 1.00 25.00 H new ATOM 0 HA LEU A 641 4.619 14.608 -39.241 1.00 25.00 H new ATOM 0 HB2 LEU A 641 2.244 15.303 -40.988 1.00 25.00 H new ATOM 0 HB3 LEU A 641 3.882 15.193 -41.601 1.00 25.00 H new ATOM 0 HG LEU A 641 2.314 12.942 -40.315 1.00 25.00 H new ATOM 0 HD11 LEU A 641 2.335 11.975 -42.625 1.00 25.00 H new ATOM 0 HD12 LEU A 641 1.502 13.547 -42.577 1.00 25.00 H new ATOM 0 HD13 LEU A 641 3.161 13.438 -43.212 1.00 25.00 H new ATOM 0 HD21 LEU A 641 4.148 11.455 -41.075 1.00 25.00 H new ATOM 0 HD22 LEU A 641 5.063 12.880 -41.622 1.00 25.00 H new ATOM 0 HD23 LEU A 641 4.712 12.659 -39.891 1.00 25.00 H new ATOM 743 N SER A 642 3.230 17.595 -39.239 1.00 25.00 N ATOM 744 CA SER A 642 3.505 19.036 -39.218 1.00 25.00 C ATOM 745 C SER A 642 3.545 19.619 -37.800 1.00 25.00 C ATOM 746 O SER A 642 3.644 20.832 -37.633 1.00 25.00 O ATOM 747 CB SER A 642 2.440 19.769 -40.041 1.00 25.00 C ATOM 748 OG SER A 642 2.812 21.119 -40.272 1.00 25.00 O ATOM 0 H SER A 642 2.256 17.355 -39.054 1.00 25.00 H new ATOM 0 HA SER A 642 4.496 19.179 -39.650 1.00 25.00 H new ATOM 0 HB2 SER A 642 2.298 19.260 -40.994 1.00 25.00 H new ATOM 0 HB3 SER A 642 1.485 19.736 -39.517 1.00 25.00 H new ATOM 0 HG SER A 642 3.205 21.494 -39.456 1.00 25.00 H new ATOM 754 N SER A 643 3.478 18.767 -36.782 1.00 25.00 N ATOM 755 CA SER A 643 3.510 19.234 -35.387 1.00 25.00 C ATOM 756 C SER A 643 4.505 18.430 -34.558 1.00 25.00 C ATOM 757 O SER A 643 4.588 17.216 -34.670 1.00 25.00 O ATOM 758 CB SER A 643 2.126 19.141 -34.742 1.00 25.00 C ATOM 759 OG SER A 643 1.179 19.963 -35.409 1.00 25.00 O ATOM 0 H SER A 643 3.402 17.755 -36.888 1.00 25.00 H new ATOM 0 HA SER A 643 3.825 20.277 -35.407 1.00 25.00 H new ATOM 0 HB2 SER A 643 1.785 18.106 -34.759 1.00 25.00 H new ATOM 0 HB3 SER A 643 2.192 19.437 -33.695 1.00 25.00 H new ATOM 0 HG SER A 643 0.740 19.447 -36.117 1.00 25.00 H new ATOM 765 N GLU A 644 5.267 19.118 -33.729 1.00 25.00 N ATOM 766 CA GLU A 644 6.305 18.491 -32.919 1.00 25.00 C ATOM 767 C GLU A 644 5.725 17.629 -31.796 1.00 25.00 C ATOM 768 O GLU A 644 4.528 17.689 -31.501 1.00 25.00 O ATOM 769 CB GLU A 644 7.223 19.576 -32.314 1.00 25.00 C ATOM 770 CG GLU A 644 6.648 20.370 -31.106 1.00 25.00 C ATOM 771 CD GLU A 644 5.752 21.545 -31.500 1.00 25.00 C ATOM 772 OE1 GLU A 644 6.061 22.679 -31.099 1.00 25.00 O ATOM 773 OE2 GLU A 644 4.730 21.338 -32.194 1.00 25.00 O ATOM 0 H GLU A 644 5.187 20.126 -33.595 1.00 25.00 H new ATOM 0 HA GLU A 644 6.877 17.836 -33.576 1.00 25.00 H new ATOM 0 HB2 GLU A 644 8.153 19.101 -32.000 1.00 25.00 H new ATOM 0 HB3 GLU A 644 7.477 20.286 -33.101 1.00 25.00 H new ATOM 0 HG2 GLU A 644 6.078 19.688 -30.475 1.00 25.00 H new ATOM 0 HG3 GLU A 644 7.476 20.744 -30.504 1.00 25.00 H new ATOM 780 N TRP A 645 6.588 16.846 -31.157 1.00 25.00 N ATOM 781 CA TRP A 645 6.198 16.070 -29.985 1.00 25.00 C ATOM 782 C TRP A 645 5.837 17.026 -28.861 1.00 25.00 C ATOM 783 O TRP A 645 6.716 17.642 -28.254 1.00 25.00 O ATOM 784 CB TRP A 645 7.342 15.174 -29.504 1.00 25.00 C ATOM 785 CG TRP A 645 7.433 13.852 -30.210 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.344 13.472 -31.144 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.572 12.709 -30.033 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.136 12.190 -31.557 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.054 11.681 -30.895 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.429 12.455 -29.249 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.439 10.421 -30.983 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.806 11.182 -29.332 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.325 10.180 -30.202 1.00 25.00 C ATOM 0 H TRP A 645 7.564 16.732 -31.432 1.00 25.00 H new ATOM 0 HA TRP A 645 5.350 15.442 -30.258 1.00 25.00 H new ATOM 0 HB2 TRP A 645 8.284 15.707 -29.634 1.00 25.00 H new ATOM 0 HB3 TRP A 645 7.222 14.994 -28.436 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.135 14.108 -31.513 1.00 25.00 H new ATOM 0 HE1 TRP A 645 8.697 11.691 -32.248 1.00 25.00 H new ATOM 0 HE3 TRP A 645 5.033 13.217 -28.595 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 6.827 9.660 -31.644 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 3.933 10.972 -28.732 1.00 25.00 H new ATOM 0 HH2 TRP A 645 4.840 9.216 -30.252 1.00 25.00 H new ATOM 804 N LYS A 646 4.551 17.138 -28.576 1.00 25.00 N ATOM 805 CA LYS A 646 4.083 17.988 -27.487 1.00 25.00 C ATOM 806 C LYS A 646 4.622 17.332 -26.216 1.00 25.00 C ATOM 807 O LYS A 646 4.718 16.107 -26.157 1.00 25.00 O ATOM 808 CB LYS A 646 2.553 18.070 -27.479 1.00 25.00 C ATOM 809 CG LYS A 646 1.918 18.407 -28.845 1.00 25.00 C ATOM 810 CD LYS A 646 2.388 19.721 -29.475 1.00 25.00 C ATOM 811 CE LYS A 646 1.657 19.929 -30.805 1.00 25.00 C ATOM 812 NZ LYS A 646 2.050 21.204 -31.492 1.00 25.00 N ATOM 0 H LYS A 646 3.810 16.652 -29.082 1.00 25.00 H new ATOM 0 HA LYS A 646 4.432 19.016 -27.584 1.00 25.00 H new ATOM 0 HB2 LYS A 646 2.153 17.117 -27.133 1.00 25.00 H new ATOM 0 HB3 LYS A 646 2.247 18.825 -26.755 1.00 25.00 H new ATOM 0 HG2 LYS A 646 2.132 17.593 -29.538 1.00 25.00 H new ATOM 0 HG3 LYS A 646 0.835 18.447 -28.725 1.00 25.00 H new ATOM 0 HD2 LYS A 646 2.187 20.554 -28.801 1.00 25.00 H new ATOM 0 HD3 LYS A 646 3.465 19.696 -29.638 1.00 25.00 H new ATOM 0 HE2 LYS A 646 1.866 19.087 -31.465 1.00 25.00 H new ATOM 0 HE3 LYS A 646 0.582 19.935 -30.626 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 1.360 21.423 -32.239 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 2.068 21.980 -30.800 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 2.994 21.094 -31.914 1.00 25.00 H new ATOM 826 N PRO A 647 5.004 18.126 -25.200 1.00 25.00 N ATOM 827 CA PRO A 647 5.665 17.482 -24.054 1.00 25.00 C ATOM 828 C PRO A 647 4.770 16.597 -23.182 1.00 25.00 C ATOM 829 O PRO A 647 5.084 15.430 -22.961 1.00 25.00 O ATOM 830 CB PRO A 647 6.215 18.676 -23.265 1.00 25.00 C ATOM 831 CG PRO A 647 5.295 19.810 -23.596 1.00 25.00 C ATOM 832 CD PRO A 647 4.913 19.590 -25.041 1.00 25.00 C ATOM 0 HA PRO A 647 6.417 16.770 -24.394 1.00 25.00 H new ATOM 0 HB2 PRO A 647 6.223 18.473 -22.194 1.00 25.00 H new ATOM 0 HB3 PRO A 647 7.241 18.902 -23.554 1.00 25.00 H new ATOM 0 HG2 PRO A 647 4.417 19.808 -22.950 1.00 25.00 H new ATOM 0 HG3 PRO A 647 5.789 20.772 -23.460 1.00 25.00 H new ATOM 0 HD2 PRO A 647 3.908 19.955 -25.251 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.589 20.111 -25.719 1.00 25.00 H new ATOM 840 N GLU A 648 3.675 17.148 -22.684 1.00 25.00 N ATOM 841 CA GLU A 648 2.760 16.422 -21.816 1.00 25.00 C ATOM 842 C GLU A 648 1.424 17.140 -21.830 1.00 25.00 C ATOM 843 O GLU A 648 1.386 18.373 -21.798 1.00 25.00 O ATOM 844 CB GLU A 648 3.285 16.438 -20.370 1.00 25.00 C ATOM 845 CG GLU A 648 2.429 15.650 -19.375 1.00 25.00 C ATOM 846 CD GLU A 648 2.668 16.087 -17.941 1.00 25.00 C ATOM 847 OE1 GLU A 648 1.711 16.594 -17.312 1.00 25.00 O ATOM 848 OE2 GLU A 648 3.804 15.937 -17.447 1.00 25.00 O ATOM 0 H GLU A 648 3.395 18.111 -22.870 1.00 25.00 H new ATOM 0 HA GLU A 648 2.667 15.394 -22.166 1.00 25.00 H new ATOM 0 HB2 GLU A 648 4.297 16.033 -20.360 1.00 25.00 H new ATOM 0 HB3 GLU A 648 3.352 17.472 -20.033 1.00 25.00 H new ATOM 0 HG2 GLU A 648 1.375 15.780 -19.622 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.650 14.587 -19.471 1.00 25.00 H new ATOM 855 N ILE A 649 0.335 16.390 -21.838 1.00 25.00 N ATOM 856 CA ILE A 649 -0.979 16.953 -21.599 1.00 25.00 C ATOM 857 C ILE A 649 -1.367 16.338 -20.262 1.00 25.00 C ATOM 858 O ILE A 649 -1.548 15.123 -20.151 1.00 25.00 O ATOM 859 CB ILE A 649 -2.013 16.602 -22.699 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.472 16.955 -24.102 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.356 17.316 -22.424 1.00 25.00 C ATOM 862 CD1 ILE A 649 -1.167 18.457 -24.344 1.00 25.00 C ATOM 0 H ILE A 649 0.338 15.384 -22.009 1.00 25.00 H new ATOM 0 HA ILE A 649 -0.962 18.043 -21.603 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.187 15.526 -22.675 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.559 16.385 -24.274 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -2.198 16.626 -24.845 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -4.071 17.059 -23.205 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -3.746 16.998 -21.457 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -3.200 18.395 -22.416 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -0.793 18.593 -25.359 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -2.079 19.039 -24.212 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -0.414 18.795 -23.632 1.00 25.00 H new ATOM 874 N ARG A 650 -1.475 17.193 -19.264 1.00 25.00 N ATOM 875 CA ARG A 650 -1.869 16.812 -17.910 1.00 25.00 C ATOM 876 C ARG A 650 -3.282 16.377 -17.908 1.00 25.00 C ATOM 877 O ARG A 650 -4.036 16.966 -18.630 1.00 25.00 O ATOM 878 CB ARG A 650 -1.815 18.029 -16.958 1.00 25.00 C ATOM 879 CG ARG A 650 -3.029 19.044 -17.140 1.00 25.00 C ATOM 880 CD ARG A 650 -2.840 20.293 -16.302 1.00 25.00 C ATOM 881 NE ARG A 650 -3.991 21.199 -16.428 1.00 25.00 N ATOM 882 CZ ARG A 650 -4.115 22.369 -15.811 1.00 25.00 C ATOM 883 NH1 ARG A 650 -3.186 22.842 -15.016 1.00 25.00 N ATOM 884 NH2 ARG A 650 -5.196 23.075 -15.998 1.00 25.00 N ATOM 0 H ARG A 650 -1.289 18.191 -19.367 1.00 25.00 H new ATOM 0 HA ARG A 650 -1.189 16.024 -17.586 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -1.804 17.672 -15.928 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -0.879 18.564 -17.120 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -3.119 19.320 -18.191 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -3.960 18.553 -16.858 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -2.706 20.015 -15.257 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -1.932 20.809 -16.614 1.00 25.00 H new ATOM 0 HE ARG A 650 -4.755 20.906 -17.037 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -2.333 22.307 -14.854 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -3.317 23.745 -14.559 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -5.933 22.727 -16.612 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -5.304 23.975 -15.531 1.00 25.00 H new ATOM 898 N LEU A 651 -3.671 15.382 -17.127 1.00 25.00 N ATOM 899 CA LEU A 651 -5.094 15.234 -16.783 1.00 25.00 C ATOM 900 C LEU A 651 -5.271 14.599 -15.397 1.00 25.00 C ATOM 901 O LEU A 651 -4.431 13.804 -14.968 1.00 25.00 O ATOM 902 CB LEU A 651 -5.922 14.551 -17.885 1.00 25.00 C ATOM 903 CG LEU A 651 -6.750 15.476 -18.838 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.040 16.989 -18.335 1.00 25.00 C ATOM 905 CD2 LEU A 651 -6.103 15.556 -20.231 1.00 25.00 C ATOM 0 H LEU A 651 -3.051 14.679 -16.725 1.00 25.00 H new ATOM 0 HA LEU A 651 -5.510 16.239 -16.720 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.244 13.957 -18.497 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -6.612 13.856 -17.407 1.00 25.00 H new ATOM 0 HG LEU A 651 -7.720 14.979 -18.855 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -7.622 17.518 -19.090 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -7.599 16.961 -17.400 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -6.094 17.507 -18.177 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -6.699 16.205 -20.872 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -5.095 15.961 -20.141 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -6.056 14.559 -20.668 1.00 25.00 H new ATOM 917 N PRO A 652 -6.348 14.965 -14.662 1.00 25.00 N ATOM 918 CA PRO A 652 -6.520 14.409 -13.316 1.00 25.00 C ATOM 919 C PRO A 652 -7.116 13.017 -13.344 1.00 25.00 C ATOM 920 O PRO A 652 -7.678 12.606 -14.343 1.00 25.00 O ATOM 921 CB PRO A 652 -7.528 15.374 -12.687 1.00 25.00 C ATOM 922 CG PRO A 652 -8.404 15.731 -13.825 1.00 25.00 C ATOM 923 CD PRO A 652 -7.453 15.890 -14.986 1.00 25.00 C ATOM 0 HA PRO A 652 -5.573 14.317 -12.784 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -8.088 14.902 -11.879 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -7.037 16.251 -12.265 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.143 14.953 -14.019 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -8.954 16.652 -13.631 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -7.929 15.630 -15.932 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.101 16.918 -15.078 1.00 25.00 H new ATOM 931 N SER A 653 -7.023 12.305 -12.232 1.00 25.00 N ATOM 932 CA SER A 653 -7.568 10.951 -12.127 1.00 25.00 C ATOM 933 C SER A 653 -9.061 10.848 -12.446 1.00 25.00 C ATOM 934 O SER A 653 -9.542 9.793 -12.825 1.00 25.00 O ATOM 935 CB SER A 653 -7.338 10.458 -10.710 1.00 25.00 C ATOM 936 OG SER A 653 -7.861 11.383 -9.770 1.00 25.00 O ATOM 0 H SER A 653 -6.573 12.641 -11.381 1.00 25.00 H new ATOM 0 HA SER A 653 -7.053 10.344 -12.871 1.00 25.00 H new ATOM 0 HB2 SER A 653 -7.813 9.486 -10.575 1.00 25.00 H new ATOM 0 HB3 SER A 653 -6.271 10.318 -10.536 1.00 25.00 H new ATOM 0 HG SER A 653 -7.706 11.049 -8.862 1.00 25.00 H new ATOM 942 N GLY A 654 -9.783 11.949 -12.275 1.00 25.00 N ATOM 943 CA GLY A 654 -11.220 11.962 -12.505 1.00 25.00 C ATOM 944 C GLY A 654 -11.681 12.165 -13.942 1.00 25.00 C ATOM 945 O GLY A 654 -12.882 12.156 -14.191 1.00 25.00 O ATOM 0 H GLY A 654 -9.395 12.844 -11.978 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -11.631 11.018 -12.146 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -11.655 12.752 -11.893 1.00 25.00 H new ATOM 949 N SER A 655 -10.775 12.357 -14.893 1.00 25.00 N ATOM 950 CA SER A 655 -11.196 12.532 -16.291 1.00 25.00 C ATOM 951 C SER A 655 -11.333 11.142 -16.915 1.00 25.00 C ATOM 952 O SER A 655 -10.381 10.369 -16.907 1.00 25.00 O ATOM 953 CB SER A 655 -10.188 13.372 -17.075 1.00 25.00 C ATOM 954 OG SER A 655 -8.886 12.858 -16.899 1.00 25.00 O ATOM 0 H SER A 655 -9.768 12.396 -14.736 1.00 25.00 H new ATOM 0 HA SER A 655 -12.147 13.063 -16.324 1.00 25.00 H new ATOM 0 HB2 SER A 655 -10.448 13.371 -18.134 1.00 25.00 H new ATOM 0 HB3 SER A 655 -10.227 14.408 -16.738 1.00 25.00 H new ATOM 0 HG SER A 655 -8.605 12.989 -15.969 1.00 25.00 H new ATOM 960 N ASP A 656 -12.509 10.820 -17.441 1.00 25.00 N ATOM 961 CA ASP A 656 -12.771 9.488 -17.999 1.00 25.00 C ATOM 962 C ASP A 656 -12.327 9.344 -19.457 1.00 25.00 C ATOM 963 O ASP A 656 -12.274 8.242 -20.000 1.00 25.00 O ATOM 964 CB ASP A 656 -14.261 9.165 -17.918 1.00 25.00 C ATOM 965 CG ASP A 656 -15.027 9.659 -19.130 1.00 25.00 C ATOM 966 OD1 ASP A 656 -15.596 8.813 -19.854 1.00 25.00 O ATOM 967 OD2 ASP A 656 -15.051 10.885 -19.369 1.00 25.00 O ATOM 0 H ASP A 656 -13.301 11.461 -17.495 1.00 25.00 H new ATOM 0 HA ASP A 656 -12.185 8.792 -17.399 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -14.392 8.087 -17.824 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -14.679 9.617 -17.018 1.00 25.00 H new ATOM 972 N HIS A 657 -11.999 10.456 -20.088 1.00 25.00 N ATOM 973 CA HIS A 657 -11.498 10.452 -21.453 1.00 25.00 C ATOM 974 C HIS A 657 -10.694 11.723 -21.606 1.00 25.00 C ATOM 975 O HIS A 657 -10.771 12.617 -20.759 1.00 25.00 O ATOM 976 CB HIS A 657 -12.633 10.403 -22.486 1.00 25.00 C ATOM 977 CG HIS A 657 -13.363 11.700 -22.648 1.00 25.00 C ATOM 978 ND1 HIS A 657 -14.347 12.151 -21.808 1.00 25.00 N ATOM 979 CD2 HIS A 657 -13.242 12.668 -23.600 1.00 25.00 C ATOM 980 CE1 HIS A 657 -14.767 13.330 -22.253 1.00 25.00 C ATOM 981 NE2 HIS A 657 -14.126 13.695 -23.346 1.00 25.00 N ATOM 0 H HIS A 657 -12.071 11.385 -19.672 1.00 25.00 H new ATOM 0 HA HIS A 657 -10.894 9.563 -21.633 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.221 10.107 -23.450 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.345 9.631 -22.193 1.00 25.00 H new ATOM 0 HD1 HIS A 657 -14.697 11.665 -20.982 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -12.554 12.635 -24.432 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -15.539 13.917 -21.778 1.00 25.00 H new ATOM 989 N VAL A 658 -9.936 11.814 -22.683 1.00 25.00 N ATOM 990 CA VAL A 658 -9.167 13.008 -22.981 1.00 25.00 C ATOM 991 C VAL A 658 -9.386 13.314 -24.450 1.00 25.00 C ATOM 992 O VAL A 658 -9.202 12.454 -25.315 1.00 25.00 O ATOM 993 CB VAL A 658 -7.643 12.823 -22.643 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.144 11.423 -23.018 1.00 25.00 C ATOM 995 CG2 VAL A 658 -6.787 13.882 -23.346 1.00 25.00 C ATOM 0 H VAL A 658 -9.836 11.068 -23.371 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.500 13.841 -22.362 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.543 12.946 -21.565 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.087 11.335 -22.769 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.711 10.674 -22.465 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.279 11.263 -24.088 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -5.738 13.728 -23.093 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -6.916 13.797 -24.425 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -7.097 14.875 -23.021 1.00 25.00 H new ATOM 1005 N MET A 659 -9.790 14.541 -24.738 1.00 25.00 N ATOM 1006 CA MET A 659 -9.959 14.965 -26.114 1.00 25.00 C ATOM 1007 C MET A 659 -8.793 15.865 -26.468 1.00 25.00 C ATOM 1008 O MET A 659 -8.607 16.927 -25.877 1.00 25.00 O ATOM 1009 CB MET A 659 -11.288 15.683 -26.334 1.00 25.00 C ATOM 1010 CG MET A 659 -11.526 15.979 -27.804 1.00 25.00 C ATOM 1011 SD MET A 659 -13.250 16.237 -28.178 1.00 25.00 S ATOM 1012 CE MET A 659 -13.237 15.951 -29.948 1.00 25.00 C ATOM 0 H MET A 659 -10.005 15.254 -24.041 1.00 25.00 H new ATOM 0 HA MET A 659 -9.977 14.089 -26.762 1.00 25.00 H new ATOM 0 HB2 MET A 659 -12.102 15.069 -25.949 1.00 25.00 H new ATOM 0 HB3 MET A 659 -11.297 16.615 -25.768 1.00 25.00 H new ATOM 0 HG2 MET A 659 -10.959 16.865 -28.089 1.00 25.00 H new ATOM 0 HG3 MET A 659 -11.147 15.151 -28.404 1.00 25.00 H new ATOM 0 HE1 MET A 659 -14.213 15.584 -30.264 1.00 25.00 H new ATOM 0 HE2 MET A 659 -13.015 16.884 -30.466 1.00 25.00 H new ATOM 0 HE3 MET A 659 -12.475 15.211 -30.191 1.00 25.00 H new ATOM 1022 N LEU A 660 -8.001 15.428 -27.430 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.853 16.194 -27.878 1.00 25.00 C ATOM 1024 C LEU A 660 -7.315 17.127 -28.975 1.00 25.00 C ATOM 1025 O LEU A 660 -8.297 16.853 -29.663 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.752 15.276 -28.409 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.081 14.347 -27.388 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.067 13.485 -28.117 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.384 15.140 -26.275 1.00 25.00 C ATOM 0 H LEU A 660 -8.133 14.542 -27.918 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.440 16.755 -27.040 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -6.175 14.661 -29.203 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -4.980 15.897 -28.864 1.00 25.00 H new ATOM 0 HG LEU A 660 -5.846 13.728 -26.919 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.579 12.817 -27.407 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.573 12.895 -28.881 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.319 14.123 -28.588 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -3.921 14.449 -25.571 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.618 15.782 -26.710 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -5.117 15.753 -25.751 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.586 18.218 -29.129 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.858 19.247 -30.128 1.00 25.00 C ATOM 1043 C LYS A 661 -5.474 19.706 -30.547 1.00 25.00 C ATOM 1044 O LYS A 661 -4.493 19.212 -29.996 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.685 20.386 -29.509 1.00 25.00 C ATOM 1046 CG LYS A 661 -9.156 20.296 -29.883 1.00 25.00 C ATOM 1047 CD LYS A 661 -10.024 21.298 -29.173 1.00 25.00 C ATOM 1048 CE LYS A 661 -11.385 21.325 -29.861 1.00 25.00 C ATOM 1049 NZ LYS A 661 -12.205 20.080 -29.636 1.00 25.00 N ATOM 0 H LYS A 661 -5.770 18.422 -28.552 1.00 25.00 H new ATOM 0 HA LYS A 661 -7.444 18.893 -30.976 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -7.585 20.357 -28.424 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -7.286 21.344 -29.840 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -9.257 20.439 -30.959 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -9.518 19.292 -29.659 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -10.135 21.028 -28.123 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -9.565 22.286 -29.201 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -11.946 22.188 -29.502 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -11.238 21.463 -30.932 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -13.202 20.276 -29.858 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -11.856 19.319 -30.253 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -12.123 19.785 -28.642 1.00 25.00 H new ATOM 1063 N SER A 662 -5.393 20.637 -31.490 1.00 25.00 N ATOM 1064 CA SER A 662 -4.105 21.156 -31.983 1.00 25.00 C ATOM 1065 C SER A 662 -3.215 20.018 -32.490 1.00 25.00 C ATOM 1066 O SER A 662 -2.075 19.846 -32.053 1.00 25.00 O ATOM 1067 CB SER A 662 -3.392 21.963 -30.893 1.00 25.00 C ATOM 1068 OG SER A 662 -4.268 22.944 -30.360 1.00 25.00 O ATOM 0 H SER A 662 -6.208 21.057 -31.938 1.00 25.00 H new ATOM 0 HA SER A 662 -4.307 21.823 -32.821 1.00 25.00 H new ATOM 0 HB2 SER A 662 -3.054 21.297 -30.099 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.505 22.443 -31.307 1.00 25.00 H new ATOM 0 HG SER A 662 -3.804 23.453 -29.663 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.778 19.247 -33.410 1.00 25.00 N ATOM 1075 CA LEU A 663 -3.121 18.102 -34.030 1.00 25.00 C ATOM 1076 C LEU A 663 -3.468 18.174 -35.509 1.00 25.00 C ATOM 1077 O LEU A 663 -4.440 18.835 -35.876 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.627 16.792 -33.394 1.00 25.00 C ATOM 1079 CG LEU A 663 -5.153 16.587 -33.225 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.850 16.100 -34.490 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -5.378 15.579 -32.111 1.00 25.00 C ATOM 0 H LEU A 663 -4.725 19.403 -33.755 1.00 25.00 H new ATOM 0 HA LEU A 663 -2.041 18.121 -33.885 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -3.247 15.965 -33.994 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -3.171 16.706 -32.408 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.587 17.559 -32.990 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.916 15.979 -34.295 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.707 16.829 -35.288 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -5.426 15.143 -34.793 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -6.448 15.420 -31.975 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.901 14.635 -32.373 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.947 15.958 -31.184 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.691 17.520 -36.355 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.960 17.541 -37.789 1.00 25.00 C ATOM 1095 C ASP A 664 -4.196 16.696 -38.043 1.00 25.00 C ATOM 1096 O ASP A 664 -4.414 15.705 -37.365 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.815 16.923 -38.597 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.498 17.685 -38.475 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.402 18.705 -37.758 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.470 17.223 -39.110 1.00 25.00 O ATOM 0 H ASP A 664 -1.876 16.972 -36.081 1.00 25.00 H new ATOM 0 HA ASP A 664 -3.086 18.579 -38.096 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.662 15.896 -38.267 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -2.104 16.881 -39.647 1.00 25.00 H new ATOM 1105 N TRP A 665 -5.009 17.073 -39.017 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.188 16.274 -39.362 1.00 25.00 C ATOM 1107 C TRP A 665 -6.047 15.664 -40.753 1.00 25.00 C ATOM 1108 O TRP A 665 -6.414 14.518 -40.964 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.461 17.119 -39.253 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.298 18.528 -39.742 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.781 19.580 -39.058 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.669 19.059 -41.030 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.791 20.718 -39.799 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.325 20.444 -41.027 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.255 18.509 -42.185 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.544 21.280 -42.141 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.482 19.349 -43.312 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -8.121 20.728 -43.272 1.00 25.00 C ATOM 0 H TRP A 665 -4.883 17.914 -39.580 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.266 15.453 -38.649 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.256 16.637 -39.822 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.783 17.141 -38.212 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.407 19.519 -38.047 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.454 21.630 -39.489 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.529 17.465 -42.216 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -7.269 22.324 -42.113 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -8.931 18.939 -44.204 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.300 21.351 -44.136 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.500 16.432 -41.684 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.292 15.991 -43.069 1.00 25.00 C ATOM 1131 C ASN A 666 -3.886 15.429 -43.260 1.00 25.00 C ATOM 1132 O ASN A 666 -3.380 15.354 -44.379 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.484 17.171 -44.028 1.00 25.00 C ATOM 1134 CG ASN A 666 -4.478 18.273 -43.796 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -4.366 18.812 -42.702 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -3.741 18.609 -44.815 1.00 25.00 N ATOM 0 H ASN A 666 -5.184 17.385 -41.506 1.00 25.00 H new ATOM 0 HA ASN A 666 -6.021 15.209 -43.283 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.400 16.817 -45.056 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -6.491 17.571 -43.910 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -3.041 19.344 -44.718 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -3.864 18.137 -45.711 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.261 15.051 -42.159 1.00 25.00 N ATOM 1144 CA ALA A 667 -1.931 14.468 -42.166 1.00 25.00 C ATOM 1145 C ALA A 667 -1.946 13.509 -40.983 1.00 25.00 C ATOM 1146 O ALA A 667 -2.831 13.587 -40.135 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.854 15.550 -42.016 1.00 25.00 C ATOM 0 H ALA A 667 -3.666 15.141 -41.227 1.00 25.00 H new ATOM 0 HA ALA A 667 -1.693 13.961 -43.101 1.00 25.00 H new ATOM 0 HB1 ALA A 667 0.132 15.086 -42.024 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -0.930 16.256 -42.843 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.998 16.079 -41.074 1.00 25.00 H new ATOM 1153 N GLU A 668 -0.989 12.601 -40.935 1.00 25.00 N ATOM 1154 CA GLU A 668 -0.965 11.574 -39.905 1.00 25.00 C ATOM 1155 C GLU A 668 -0.349 12.054 -38.599 1.00 25.00 C ATOM 1156 O GLU A 668 0.563 12.887 -38.586 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.182 10.372 -40.433 1.00 25.00 C ATOM 1158 CG GLU A 668 -0.610 9.962 -41.848 1.00 25.00 C ATOM 1159 CD GLU A 668 -0.250 8.524 -42.184 1.00 25.00 C ATOM 1160 OE1 GLU A 668 0.894 8.108 -41.917 1.00 25.00 O ATOM 1161 OE2 GLU A 668 -1.122 7.811 -42.732 1.00 25.00 O ATOM 0 H GLU A 668 -0.215 12.552 -41.598 1.00 25.00 H new ATOM 0 HA GLU A 668 -1.997 11.305 -39.681 1.00 25.00 H new ATOM 0 HB2 GLU A 668 0.882 10.609 -40.434 1.00 25.00 H new ATOM 0 HB3 GLU A 668 -0.320 9.528 -39.757 1.00 25.00 H new ATOM 0 HG2 GLU A 668 -1.687 10.094 -41.948 1.00 25.00 H new ATOM 0 HG3 GLU A 668 -0.139 10.627 -42.571 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.851 11.520 -37.493 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.307 11.833 -36.182 1.00 25.00 C ATOM 1170 C TYR A 669 -0.366 10.618 -35.278 1.00 25.00 C ATOM 1171 O TYR A 669 -1.203 9.736 -35.464 1.00 25.00 O ATOM 1172 CB TYR A 669 -1.045 13.021 -35.558 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.496 12.795 -35.252 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.478 13.049 -36.222 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.902 12.348 -33.981 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.842 12.882 -35.929 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.272 12.178 -33.681 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.227 12.459 -34.659 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.552 12.326 -34.372 1.00 25.00 O ATOM 0 H TYR A 669 -1.635 10.868 -37.480 1.00 25.00 H new ATOM 0 HA TYR A 669 0.739 12.115 -36.301 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.536 13.297 -34.634 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.963 13.872 -36.234 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.181 13.377 -37.207 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.159 12.133 -33.227 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.588 13.081 -36.684 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.577 11.834 -32.704 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.940 11.625 -34.936 1.00 25.00 H new ATOM 1189 N GLU A 670 0.535 10.578 -34.308 1.00 25.00 N ATOM 1190 CA GLU A 670 0.650 9.461 -33.374 1.00 25.00 C ATOM 1191 C GLU A 670 0.422 9.986 -31.962 1.00 25.00 C ATOM 1192 O GLU A 670 0.838 11.100 -31.628 1.00 25.00 O ATOM 1193 CB GLU A 670 2.036 8.790 -33.494 1.00 25.00 C ATOM 1194 CG GLU A 670 3.227 9.715 -33.183 1.00 25.00 C ATOM 1195 CD GLU A 670 4.584 9.052 -33.430 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.816 7.948 -32.892 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.428 9.643 -34.151 1.00 25.00 O ATOM 0 H GLU A 670 1.212 11.323 -34.143 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.099 8.705 -33.609 1.00 25.00 H new ATOM 0 HB2 GLU A 670 2.071 7.936 -32.818 1.00 25.00 H new ATOM 0 HB3 GLU A 670 2.150 8.401 -34.506 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.151 10.613 -33.796 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.169 10.034 -32.142 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.252 9.194 -31.142 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.575 9.580 -29.771 1.00 25.00 C ATOM 1206 C VAL A 671 -0.159 8.478 -28.814 1.00 25.00 C ATOM 1207 O VAL A 671 -0.465 7.319 -29.051 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.112 9.781 -29.606 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.468 10.199 -28.166 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.641 10.824 -30.601 1.00 25.00 C ATOM 0 H VAL A 671 -0.591 8.268 -31.404 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.046 10.508 -29.553 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.590 8.824 -29.816 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.547 10.332 -28.082 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.142 9.425 -27.471 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -1.967 11.137 -27.925 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.716 10.945 -30.464 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.143 11.778 -30.427 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.440 10.490 -31.619 1.00 25.00 H new ATOM 1220 N TYR A 672 0.514 8.851 -27.734 1.00 25.00 N ATOM 1221 CA TYR A 672 0.900 7.931 -26.665 1.00 25.00 C ATOM 1222 C TYR A 672 0.265 8.447 -25.393 1.00 25.00 C ATOM 1223 O TYR A 672 0.213 9.653 -25.169 1.00 25.00 O ATOM 1224 CB TYR A 672 2.417 7.907 -26.479 1.00 25.00 C ATOM 1225 CG TYR A 672 3.113 7.056 -27.502 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.577 5.769 -27.169 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.299 7.522 -28.812 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.203 4.948 -28.142 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.935 6.712 -29.788 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.381 5.433 -29.446 1.00 25.00 C ATOM 1231 OH TYR A 672 4.984 4.655 -30.397 1.00 25.00 O ATOM 0 H TYR A 672 0.812 9.813 -27.571 1.00 25.00 H new ATOM 0 HA TYR A 672 0.573 6.920 -26.910 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.802 8.925 -26.537 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.651 7.534 -25.482 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.455 5.402 -26.161 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.954 8.509 -29.081 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.540 3.956 -27.880 1.00 25.00 H new ATOM 0 HE2 TYR A 672 4.074 7.083 -30.793 1.00 25.00 H new ATOM 0 HH TYR A 672 5.025 5.146 -31.244 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.211 7.548 -24.552 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.833 7.937 -23.295 1.00 25.00 C ATOM 1243 C VAL A 673 -0.429 6.924 -22.228 1.00 25.00 C ATOM 1244 O VAL A 673 -0.348 5.719 -22.499 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.393 8.050 -23.469 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -2.971 6.804 -24.170 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.095 8.317 -22.127 1.00 25.00 C ATOM 0 H VAL A 673 -0.180 6.542 -24.715 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.490 8.922 -22.980 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.588 8.909 -24.112 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -4.050 6.913 -24.275 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.519 6.699 -25.156 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.752 5.917 -23.575 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.171 8.389 -22.287 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -2.885 7.500 -21.437 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.728 9.252 -21.704 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.164 7.420 -21.028 1.00 25.00 N ATOM 1258 CA VAL A 674 0.188 6.587 -19.880 1.00 25.00 C ATOM 1259 C VAL A 674 -0.579 7.113 -18.675 1.00 25.00 C ATOM 1260 O VAL A 674 -1.028 8.266 -18.662 1.00 25.00 O ATOM 1261 CB VAL A 674 1.723 6.606 -19.552 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.527 5.968 -20.672 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.226 8.026 -19.311 1.00 25.00 C ATOM 0 H VAL A 674 -0.187 8.418 -20.819 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.071 5.556 -20.119 1.00 25.00 H new ATOM 0 HB VAL A 674 1.861 6.028 -18.638 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.587 5.994 -20.419 1.00 25.00 H new ATOM 0 HG12 VAL A 674 2.211 4.933 -20.803 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.361 6.518 -21.598 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.292 8.001 -19.087 1.00 25.00 H new ATOM 0 HG22 VAL A 674 2.057 8.628 -20.204 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.689 8.465 -18.470 1.00 25.00 H new ATOM 1273 N ALA A 675 -0.710 6.277 -17.665 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.356 6.652 -16.423 1.00 25.00 C ATOM 1275 C ALA A 675 -0.313 6.523 -15.330 1.00 25.00 C ATOM 1276 O ALA A 675 0.615 5.727 -15.443 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.535 5.745 -16.153 1.00 25.00 C ATOM 0 H ALA A 675 -0.370 5.315 -17.682 1.00 25.00 H new ATOM 0 HA ALA A 675 -1.738 7.672 -16.469 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -3.012 6.037 -15.217 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.253 5.830 -16.968 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.191 4.713 -16.078 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.477 7.295 -14.279 1.00 25.00 N ATOM 1284 CA GLU A 676 0.422 7.270 -13.142 1.00 25.00 C ATOM 1285 C GLU A 676 -0.444 7.139 -11.902 1.00 25.00 C ATOM 1286 O GLU A 676 -1.510 7.744 -11.817 1.00 25.00 O ATOM 1287 CB GLU A 676 1.227 8.575 -13.124 1.00 25.00 C ATOM 1288 CG GLU A 676 2.159 8.747 -11.938 1.00 25.00 C ATOM 1289 CD GLU A 676 1.636 9.780 -10.956 1.00 25.00 C ATOM 1290 OE1 GLU A 676 0.520 9.598 -10.425 1.00 25.00 O ATOM 1291 OE2 GLU A 676 2.338 10.782 -10.722 1.00 25.00 O ATOM 0 H GLU A 676 -1.242 7.963 -14.187 1.00 25.00 H new ATOM 0 HA GLU A 676 1.128 6.441 -13.189 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.816 8.632 -14.039 1.00 25.00 H new ATOM 0 HB3 GLU A 676 0.530 9.413 -13.142 1.00 25.00 H new ATOM 0 HG2 GLU A 676 2.281 7.791 -11.429 1.00 25.00 H new ATOM 0 HG3 GLU A 676 3.145 9.048 -12.291 1.00 25.00 H new ATOM 1298 N ASN A 677 -0.002 6.351 -10.941 1.00 25.00 N ATOM 1299 CA ASN A 677 -0.699 6.249 -9.674 1.00 25.00 C ATOM 1300 C ASN A 677 0.376 6.418 -8.616 1.00 25.00 C ATOM 1301 O ASN A 677 1.559 6.431 -8.922 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.554 4.958 -9.565 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.826 3.787 -8.940 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.370 3.650 -9.037 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.569 2.930 -8.301 1.00 25.00 N ATOM 0 H ASN A 677 0.835 5.773 -11.013 1.00 25.00 H new ATOM 0 HA ASN A 677 -1.458 7.021 -9.547 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.446 5.174 -8.977 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -1.891 4.673 -10.562 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -1.144 2.113 -7.863 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.577 3.076 -8.238 1.00 25.00 H new ATOM 1312 N GLN A 678 -0.041 6.561 -7.374 1.00 25.00 N ATOM 1313 CA GLN A 678 0.872 6.826 -6.265 1.00 25.00 C ATOM 1314 C GLN A 678 1.872 5.689 -5.930 1.00 25.00 C ATOM 1315 O GLN A 678 2.642 5.802 -4.978 1.00 25.00 O ATOM 1316 CB GLN A 678 0.044 7.227 -5.044 1.00 25.00 C ATOM 1317 CG GLN A 678 -1.056 6.231 -4.720 1.00 25.00 C ATOM 1318 CD GLN A 678 -1.581 6.386 -3.316 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -1.933 5.288 -2.703 1.00 25.00 O flip ATOM 1320 NE2 GLN A 678 -1.679 7.483 -2.791 1.00 25.00 N flip ATOM 0 H GLN A 678 -1.021 6.498 -7.098 1.00 25.00 H new ATOM 0 HA GLN A 678 1.523 7.640 -6.584 1.00 25.00 H new ATOM 0 HB2 GLN A 678 0.703 7.326 -4.181 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -0.401 8.207 -5.219 1.00 25.00 H new ATOM 0 HG2 GLN A 678 -1.876 6.358 -5.427 1.00 25.00 H new ATOM 0 HG3 GLN A 678 -0.675 5.218 -4.852 1.00 25.00 H new ATOM 0 HE21 GLN A 678 -1.394 8.319 -3.300 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -2.046 7.564 -1.843 1.00 25.00 H new ATOM 1329 N GLN A 679 1.853 4.599 -6.692 1.00 25.00 N ATOM 1330 CA GLN A 679 2.793 3.486 -6.503 1.00 25.00 C ATOM 1331 C GLN A 679 3.681 3.230 -7.729 1.00 25.00 C ATOM 1332 O GLN A 679 4.771 2.682 -7.589 1.00 25.00 O ATOM 1333 CB GLN A 679 2.032 2.198 -6.187 1.00 25.00 C ATOM 1334 CG GLN A 679 1.777 1.986 -4.709 1.00 25.00 C ATOM 1335 CD GLN A 679 0.624 2.804 -4.172 1.00 25.00 C ATOM 1336 OE1 GLN A 679 -0.454 2.833 -4.732 1.00 25.00 O ATOM 1337 NE2 GLN A 679 0.850 3.464 -3.076 1.00 25.00 N ATOM 0 H GLN A 679 1.191 4.458 -7.455 1.00 25.00 H new ATOM 0 HA GLN A 679 3.437 3.776 -5.673 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.077 2.213 -6.713 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.596 1.349 -6.574 1.00 25.00 H new ATOM 0 HG2 GLN A 679 1.576 0.930 -4.531 1.00 25.00 H new ATOM 0 HG3 GLN A 679 2.680 2.237 -4.153 1.00 25.00 H new ATOM 0 HE21 GLN A 679 1.767 3.417 -2.632 1.00 25.00 H new ATOM 0 HE22 GLN A 679 0.110 4.029 -2.659 1.00 25.00 H new ATOM 1346 N GLY A 680 3.220 3.606 -8.915 1.00 25.00 N ATOM 1347 CA GLY A 680 3.973 3.361 -10.135 1.00 25.00 C ATOM 1348 C GLY A 680 3.221 3.849 -11.359 1.00 25.00 C ATOM 1349 O GLY A 680 2.294 4.647 -11.229 1.00 25.00 O ATOM 0 H GLY A 680 2.329 4.081 -9.057 1.00 25.00 H new ATOM 0 HA2 GLY A 680 4.938 3.864 -10.075 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.174 2.294 -10.232 1.00 25.00 H new ATOM 1353 N LYS A 681 3.599 3.398 -12.550 1.00 25.00 N ATOM 1354 CA LYS A 681 2.967 3.886 -13.786 1.00 25.00 C ATOM 1355 C LYS A 681 2.533 2.762 -14.704 1.00 25.00 C ATOM 1356 O LYS A 681 2.995 1.639 -14.602 1.00 25.00 O ATOM 1357 CB LYS A 681 3.900 4.838 -14.541 1.00 25.00 C ATOM 1358 CG LYS A 681 4.284 6.062 -13.715 1.00 25.00 C ATOM 1359 CD LYS A 681 4.586 7.283 -14.575 1.00 25.00 C ATOM 1360 CE LYS A 681 5.806 7.078 -15.451 1.00 25.00 C ATOM 1361 NZ LYS A 681 6.216 8.382 -16.078 1.00 25.00 N ATOM 0 H LYS A 681 4.331 2.703 -12.693 1.00 25.00 H new ATOM 0 HA LYS A 681 2.071 4.425 -13.478 1.00 25.00 H new ATOM 0 HB2 LYS A 681 4.804 4.302 -14.830 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.414 5.163 -15.461 1.00 25.00 H new ATOM 0 HG2 LYS A 681 3.473 6.299 -13.027 1.00 25.00 H new ATOM 0 HG3 LYS A 681 5.158 5.826 -13.108 1.00 25.00 H new ATOM 0 HD2 LYS A 681 3.723 7.506 -15.203 1.00 25.00 H new ATOM 0 HD3 LYS A 681 4.744 8.149 -13.932 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.627 6.677 -14.857 1.00 25.00 H new ATOM 0 HE3 LYS A 681 5.587 6.345 -16.227 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 7.053 8.231 -16.677 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 5.436 8.748 -16.660 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 6.443 9.070 -15.332 1.00 25.00 H new ATOM 1375 N SER A 682 1.621 3.086 -15.600 1.00 25.00 N ATOM 1376 CA SER A 682 1.051 2.104 -16.507 1.00 25.00 C ATOM 1377 C SER A 682 1.890 1.934 -17.754 1.00 25.00 C ATOM 1378 O SER A 682 2.709 2.791 -18.097 1.00 25.00 O ATOM 1379 CB SER A 682 -0.355 2.542 -16.924 1.00 25.00 C ATOM 1380 OG SER A 682 -0.306 3.450 -18.018 1.00 25.00 O ATOM 0 H SER A 682 1.255 4.030 -15.721 1.00 25.00 H new ATOM 0 HA SER A 682 1.019 1.152 -15.977 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.945 1.668 -17.199 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.858 3.013 -16.079 1.00 25.00 H new ATOM 0 HG SER A 682 -0.199 2.950 -18.854 1.00 25.00 H new ATOM 1386 N LYS A 683 1.662 0.836 -18.461 1.00 25.00 N ATOM 1387 CA LYS A 683 2.318 0.628 -19.749 1.00 25.00 C ATOM 1388 C LYS A 683 1.683 1.636 -20.701 1.00 25.00 C ATOM 1389 O LYS A 683 0.510 1.974 -20.546 1.00 25.00 O ATOM 1390 CB LYS A 683 2.086 -0.794 -20.270 1.00 25.00 C ATOM 1391 CG LYS A 683 3.046 -1.192 -21.405 1.00 25.00 C ATOM 1392 CD LYS A 683 2.627 -2.480 -22.115 1.00 25.00 C ATOM 1393 CE LYS A 683 2.798 -3.713 -21.231 1.00 25.00 C ATOM 1394 NZ LYS A 683 2.534 -4.970 -22.015 1.00 25.00 N ATOM 0 H LYS A 683 1.037 0.084 -18.172 1.00 25.00 H new ATOM 0 HA LYS A 683 3.396 0.760 -19.662 1.00 25.00 H new ATOM 0 HB2 LYS A 683 2.198 -1.498 -19.445 1.00 25.00 H new ATOM 0 HB3 LYS A 683 1.059 -0.880 -20.625 1.00 25.00 H new ATOM 0 HG2 LYS A 683 3.096 -0.382 -22.133 1.00 25.00 H new ATOM 0 HG3 LYS A 683 4.049 -1.317 -20.998 1.00 25.00 H new ATOM 0 HD2 LYS A 683 1.585 -2.399 -22.424 1.00 25.00 H new ATOM 0 HD3 LYS A 683 3.220 -2.601 -23.022 1.00 25.00 H new ATOM 0 HE2 LYS A 683 3.809 -3.738 -20.824 1.00 25.00 H new ATOM 0 HE3 LYS A 683 2.115 -3.657 -20.384 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 2.655 -5.797 -21.396 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 1.561 -4.952 -22.382 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 3.203 -5.031 -22.809 1.00 25.00 H new ATOM 1408 N ALA A 684 2.440 2.100 -21.678 1.00 25.00 N ATOM 1409 CA ALA A 684 1.916 3.020 -22.673 1.00 25.00 C ATOM 1410 C ALA A 684 0.969 2.301 -23.623 1.00 25.00 C ATOM 1411 O ALA A 684 1.110 1.103 -23.875 1.00 25.00 O ATOM 1412 CB ALA A 684 3.078 3.634 -23.466 1.00 25.00 C ATOM 0 H ALA A 684 3.422 1.855 -21.805 1.00 25.00 H new ATOM 0 HA ALA A 684 1.362 3.809 -22.163 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.685 4.324 -24.212 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.738 4.173 -22.786 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.638 2.842 -23.964 1.00 25.00 H new ATOM 1418 N ALA A 685 0.039 3.065 -24.171 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.838 2.599 -25.232 1.00 25.00 C ATOM 1420 C ALA A 685 -0.685 3.678 -26.295 1.00 25.00 C ATOM 1421 O ALA A 685 -0.568 4.860 -25.952 1.00 25.00 O ATOM 1422 CB ALA A 685 -2.288 2.490 -24.748 1.00 25.00 C ATOM 0 H ALA A 685 -0.130 4.031 -23.891 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.586 1.602 -25.594 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -2.919 2.139 -25.565 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -2.343 1.785 -23.918 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.635 3.468 -24.416 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.656 3.286 -27.558 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.467 4.228 -28.651 1.00 25.00 C ATOM 1430 C HIS A 686 -1.315 3.915 -29.868 1.00 25.00 C ATOM 1431 O HIS A 686 -1.620 2.754 -30.139 1.00 25.00 O ATOM 1432 CB HIS A 686 1.000 4.258 -29.053 1.00 25.00 C ATOM 1433 CG HIS A 686 1.567 2.911 -29.377 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.507 2.317 -30.612 1.00 25.00 N ATOM 1435 CD2 HIS A 686 2.236 2.022 -28.592 1.00 25.00 C ATOM 1436 CE1 HIS A 686 2.111 1.134 -30.534 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.571 0.900 -29.321 1.00 25.00 N ATOM 0 H HIS A 686 -0.762 2.316 -27.854 1.00 25.00 H new ATOM 0 HA HIS A 686 -0.788 5.202 -28.282 1.00 25.00 H new ATOM 0 HB2 HIS A 686 1.116 4.908 -29.920 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.580 4.700 -28.243 1.00 25.00 H new ATOM 0 HD2 HIS A 686 2.471 2.174 -27.549 1.00 25.00 H new ATOM 0 HE1 HIS A 686 2.212 0.449 -31.363 1.00 25.00 H new ATOM 0 HE2 HIS A 686 3.066 0.071 -28.993 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.702 4.956 -30.592 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.492 4.798 -31.809 1.00 25.00 C ATOM 1447 C PHE A 687 -2.153 5.909 -32.798 1.00 25.00 C ATOM 1448 O PHE A 687 -1.648 6.960 -32.405 1.00 25.00 O ATOM 1449 CB PHE A 687 -3.993 4.748 -31.487 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.653 6.095 -31.346 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.502 6.861 -30.175 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.455 6.595 -32.388 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.169 8.113 -30.037 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.118 7.833 -32.259 1.00 25.00 C ATOM 1455 CZ PHE A 687 -5.983 8.592 -31.083 1.00 25.00 C ATOM 0 H PHE A 687 -1.481 5.924 -30.358 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.239 3.847 -32.277 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.501 4.191 -32.274 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.133 4.191 -30.561 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -3.875 6.497 -29.374 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.564 6.024 -33.298 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.051 8.693 -29.134 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.733 8.200 -33.068 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.499 9.535 -30.982 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.415 5.654 -34.073 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.111 6.591 -35.156 1.00 25.00 C ATOM 1467 C VAL A 688 -3.434 6.885 -35.855 1.00 25.00 C ATOM 1468 O VAL A 688 -4.250 5.979 -36.022 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.085 5.962 -36.164 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.771 6.919 -37.332 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.223 5.600 -35.436 1.00 25.00 C ATOM 0 H VAL A 688 -2.847 4.787 -34.391 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.657 7.503 -34.768 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.542 5.061 -36.574 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.057 6.447 -38.007 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.689 7.145 -37.874 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.344 7.843 -36.941 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.926 5.165 -36.146 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.658 6.499 -35.000 1.00 25.00 H new ATOM 0 HG23 VAL A 688 0.012 4.879 -34.646 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.659 8.133 -36.246 1.00 25.00 N ATOM 1482 CA PHE A 689 -4.918 8.524 -36.881 1.00 25.00 C ATOM 1483 C PHE A 689 -4.692 9.627 -37.917 1.00 25.00 C ATOM 1484 O PHE A 689 -3.698 10.350 -37.858 1.00 25.00 O ATOM 1485 CB PHE A 689 -5.887 8.997 -35.793 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.283 9.297 -36.289 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.637 10.600 -36.696 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.257 8.283 -36.341 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -8.943 10.896 -37.133 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.576 8.569 -36.783 1.00 25.00 C ATOM 1491 CZ PHE A 689 -9.916 9.883 -37.175 1.00 25.00 C ATOM 0 H PHE A 689 -2.989 8.894 -36.136 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.340 7.667 -37.406 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -5.946 8.232 -35.018 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.480 9.894 -35.325 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -6.894 11.384 -36.672 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -7.999 7.278 -36.042 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.196 11.901 -37.436 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.317 7.784 -36.819 1.00 25.00 H new ATOM 0 HZ PHE A 689 -10.919 10.108 -37.505 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.623 9.729 -38.860 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.624 10.744 -39.917 1.00 25.00 C ATOM 1503 C ARG A 690 -7.037 10.738 -40.479 1.00 25.00 C ATOM 1504 O ARG A 690 -7.711 9.714 -40.388 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.594 10.419 -41.010 1.00 25.00 C ATOM 1506 CG ARG A 690 -4.423 8.928 -41.384 1.00 25.00 C ATOM 1507 CD ARG A 690 -5.316 8.497 -42.531 1.00 25.00 C ATOM 1508 NE ARG A 690 -4.648 7.452 -43.320 1.00 25.00 N ATOM 1509 CZ ARG A 690 -3.759 7.671 -44.287 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -3.402 8.877 -44.662 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -3.219 6.650 -44.890 1.00 25.00 N ATOM 0 H ARG A 690 -6.419 9.094 -38.915 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.345 11.724 -39.529 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -4.871 10.966 -41.911 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -3.625 10.802 -40.689 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.383 8.744 -41.652 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -4.641 8.313 -40.511 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -6.264 8.123 -42.144 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -5.546 9.353 -43.166 1.00 25.00 H new ATOM 0 HE ARG A 690 -4.884 6.482 -43.110 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -3.810 9.694 -44.207 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -2.717 8.997 -45.408 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -3.479 5.702 -44.619 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -2.536 6.799 -45.633 1.00 25.00 H new ATOM 1525 N THR A 691 -7.498 11.846 -41.039 1.00 25.00 N ATOM 1526 CA THR A 691 -8.866 11.933 -41.565 1.00 25.00 C ATOM 1527 C THR A 691 -8.914 12.866 -42.786 1.00 25.00 C ATOM 1528 O THR A 691 -7.895 13.406 -43.190 1.00 25.00 O ATOM 1529 CB THR A 691 -9.846 12.412 -40.438 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.200 12.351 -40.899 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.542 13.832 -39.974 1.00 25.00 C ATOM 0 H THR A 691 -6.951 12.701 -41.144 1.00 25.00 H new ATOM 0 HA THR A 691 -9.186 10.944 -41.893 1.00 25.00 H new ATOM 0 HB THR A 691 -9.706 11.741 -39.591 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.802 12.651 -40.186 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.247 14.118 -39.194 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.527 13.877 -39.580 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.635 14.518 -40.816 1.00 25.00 H new ATOM 1539 N HIS A 692 -10.102 13.026 -43.365 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.364 13.897 -44.532 1.00 25.00 C ATOM 1541 C HIS A 692 -9.596 13.493 -45.804 1.00 25.00 C ATOM 1542 O HIS A 692 -9.580 14.227 -46.792 1.00 25.00 O ATOM 1543 CB HIS A 692 -10.111 15.383 -44.199 1.00 25.00 C ATOM 1544 CG HIS A 692 -11.017 15.934 -43.136 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -11.168 17.272 -42.867 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -11.847 15.307 -42.253 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -12.035 17.404 -41.869 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -12.477 16.235 -41.452 1.00 25.00 N ATOM 0 H HIS A 692 -10.938 12.545 -43.034 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.421 13.757 -44.757 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -9.076 15.501 -43.877 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -10.232 15.974 -45.107 1.00 25.00 H new ATOM 0 HD1 HIS A 692 -10.695 18.035 -43.351 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -11.990 14.238 -42.191 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -12.340 18.352 -41.451 1.00 25.00 H new