USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 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 638 TYR OH : rot 7:sc= 0.906 USER MOD Set 1.2: A 662 SER OG : rot 24:sc= 0.655 USER MOD Set 2.1: A 605 LYS NZ :NH3+ -158:sc= 0.107 (180deg=0) USER MOD Set 2.2: A 624 GLN : amide:sc= -1.29 K(o=-1.2,f=-2.1) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 609 GLN : amide:sc= 0.0163 X(o=0.016,f=-0.11) USER MOD Single : A 610 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 615 ASN : amide:sc= -0.0657 K(o=-0.066,f=-0.93) USER MOD Single : A 616 SER OG : rot 82:sc= 0.986 USER MOD Single : A 618 LYS NZ :NH3+ -170:sc= 0.888 (180deg=0.572) USER MOD Single : A 620 ASN : amide:sc= -0.611 X(o=-0.61,f=-0.33) USER MOD Single : A 623 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 SER OG : rot -0:sc= 0.352 USER MOD Single : A 633 HIS : no HE2:sc= -0.234 K(o=-0.23,f=-3.2!) USER MOD Single : A 634 TYR OH : rot 83:sc= 1.2 USER MOD Single : A 642 SER OG : rot 79:sc= 1 USER MOD Single : A 643 SER OG : rot 170:sc= -0.0199 USER MOD Single : A 646 LYS NZ :NH3+ -163:sc= 0.663 (180deg=0.162) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot -75:sc= 0.504 USER MOD Single : A 657 HIS : no HE2:sc= 0.968 K(o=0.97,f=-2.9!) USER MOD Single : A 659 MET CE :methyl 150:sc= -0.0261 (180deg=-1.02) USER MOD Single : A 661 LYS NZ :NH3+ 170:sc= 0.966 (180deg=0.792) USER MOD Single : A 666 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.2) USER MOD Single : A 669 TYR OH : rot 63:sc= 1.11 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= 0.382 K(o=0.38,f=-11!) USER MOD Single : A 678 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 679 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 681 LYS NZ :NH3+ -125:sc= 0.559 (180deg=-0.393) USER MOD Single : A 682 SER OG : rot 83:sc= 1.1 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=-0.014) USER MOD Single : A 691 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 692 HIS :FLIP no HD1:sc= -0.68 F(o=-1.9!,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 0.616 -2.846 -4.099 1.00 25.00 N ATOM 52 CA VAL A 598 -0.151 -2.107 -5.095 1.00 25.00 C ATOM 53 C VAL A 598 0.597 -2.149 -6.421 1.00 25.00 C ATOM 54 O VAL A 598 1.670 -1.571 -6.555 1.00 25.00 O ATOM 55 CB VAL A 598 -0.354 -0.636 -4.665 1.00 25.00 C ATOM 56 CG1 VAL A 598 -1.105 0.146 -5.751 1.00 25.00 C ATOM 57 CG2 VAL A 598 -1.106 -0.564 -3.325 1.00 25.00 C ATOM 0 HA VAL A 598 -1.133 -2.569 -5.195 1.00 25.00 H new ATOM 0 HB VAL A 598 0.626 -0.179 -4.532 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -1.238 1.179 -5.429 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -0.531 0.125 -6.677 1.00 25.00 H new ATOM 0 HG13 VAL A 598 -2.081 -0.310 -5.919 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -1.240 0.479 -3.038 1.00 25.00 H new ATOM 0 HG22 VAL A 598 -2.081 -1.040 -3.429 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -0.531 -1.081 -2.557 1.00 25.00 H new ATOM 67 N ARG A 599 0.022 -2.844 -7.394 1.00 25.00 N ATOM 68 CA ARG A 599 0.630 -2.956 -8.720 1.00 25.00 C ATOM 69 C ARG A 599 0.448 -1.682 -9.541 1.00 25.00 C ATOM 70 O ARG A 599 -0.365 -0.809 -9.202 1.00 25.00 O ATOM 71 CB ARG A 599 0.031 -4.146 -9.488 1.00 25.00 C ATOM 72 CG ARG A 599 -1.441 -3.973 -9.898 1.00 25.00 C ATOM 73 CD ARG A 599 -1.891 -5.136 -10.769 1.00 25.00 C ATOM 74 NE ARG A 599 -3.240 -4.928 -11.325 1.00 25.00 N ATOM 75 CZ ARG A 599 -3.890 -5.787 -12.100 1.00 25.00 C ATOM 76 NH1 ARG A 599 -3.375 -6.941 -12.455 1.00 25.00 N ATOM 77 NH2 ARG A 599 -5.080 -5.481 -12.525 1.00 25.00 N ATOM 0 H ARG A 599 -0.864 -3.339 -7.293 1.00 25.00 H new ATOM 0 HA ARG A 599 1.698 -3.115 -8.569 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.626 -4.318 -10.385 1.00 25.00 H new ATOM 0 HB3 ARG A 599 0.119 -5.040 -8.871 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.068 -3.913 -9.008 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -1.566 -3.035 -10.440 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -1.181 -5.272 -11.585 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -1.880 -6.053 -10.181 1.00 25.00 H new ATOM 0 HE ARG A 599 -3.712 -4.053 -11.096 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -2.443 -7.204 -12.134 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -3.906 -7.575 -13.052 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -5.502 -4.590 -12.262 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -5.591 -6.131 -13.121 1.00 25.00 H new ATOM 91 N GLU A 600 1.198 -1.602 -10.624 1.00 25.00 N ATOM 92 CA GLU A 600 1.129 -0.491 -11.567 1.00 25.00 C ATOM 93 C GLU A 600 -0.226 -0.510 -12.288 1.00 25.00 C ATOM 94 O GLU A 600 -0.868 -1.561 -12.396 1.00 25.00 O ATOM 95 CB GLU A 600 2.254 -0.631 -12.605 1.00 25.00 C ATOM 96 CG GLU A 600 3.669 -0.462 -12.036 1.00 25.00 C ATOM 97 CD GLU A 600 4.127 -1.650 -11.186 1.00 25.00 C ATOM 98 OE1 GLU A 600 3.638 -2.788 -11.404 1.00 25.00 O ATOM 99 OE2 GLU A 600 4.969 -1.441 -10.293 1.00 25.00 O ATOM 0 H GLU A 600 1.882 -2.313 -10.881 1.00 25.00 H new ATOM 0 HA GLU A 600 1.241 0.448 -11.026 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.179 -1.612 -13.073 1.00 25.00 H new ATOM 0 HB3 GLU A 600 2.101 0.109 -13.390 1.00 25.00 H new ATOM 0 HG2 GLU A 600 4.370 -0.322 -12.859 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.704 0.444 -11.430 1.00 25.00 H new ATOM 106 N PRO A 601 -0.688 0.654 -12.782 1.00 25.00 N ATOM 107 CA PRO A 601 -1.988 0.640 -13.460 1.00 25.00 C ATOM 108 C PRO A 601 -2.000 0.023 -14.864 1.00 25.00 C ATOM 109 O PRO A 601 -0.958 -0.237 -15.473 1.00 25.00 O ATOM 110 CB PRO A 601 -2.378 2.115 -13.486 1.00 25.00 C ATOM 111 CG PRO A 601 -1.110 2.871 -13.411 1.00 25.00 C ATOM 112 CD PRO A 601 -0.091 2.003 -12.746 1.00 25.00 C ATOM 0 HA PRO A 601 -2.689 -0.006 -12.931 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.925 2.358 -14.397 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -3.030 2.361 -12.648 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.776 3.154 -14.409 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.250 3.794 -12.848 1.00 25.00 H new ATOM 0 HD2 PRO A 601 0.862 2.031 -13.274 1.00 25.00 H new ATOM 0 HD3 PRO A 601 0.102 2.326 -11.723 1.00 25.00 H new ATOM 120 N SER A 602 -3.204 -0.218 -15.360 1.00 25.00 N ATOM 121 CA SER A 602 -3.424 -0.864 -16.650 1.00 25.00 C ATOM 122 C SER A 602 -3.145 0.069 -17.812 1.00 25.00 C ATOM 123 O SER A 602 -3.238 1.285 -17.682 1.00 25.00 O ATOM 124 CB SER A 602 -4.885 -1.306 -16.762 1.00 25.00 C ATOM 125 OG SER A 602 -5.255 -2.134 -15.674 1.00 25.00 O ATOM 0 H SER A 602 -4.066 0.031 -14.875 1.00 25.00 H new ATOM 0 HA SER A 602 -2.741 -1.712 -16.699 1.00 25.00 H new ATOM 0 HB2 SER A 602 -5.532 -0.429 -16.791 1.00 25.00 H new ATOM 0 HB3 SER A 602 -5.034 -1.843 -17.698 1.00 25.00 H new ATOM 0 HG SER A 602 -6.193 -2.400 -15.770 1.00 25.00 H new ATOM 131 N ALA A 603 -2.825 -0.509 -18.963 1.00 25.00 N ATOM 132 CA ALA A 603 -2.660 0.280 -20.173 1.00 25.00 C ATOM 133 C ALA A 603 -4.017 0.959 -20.450 1.00 25.00 C ATOM 134 O ALA A 603 -5.071 0.336 -20.272 1.00 25.00 O ATOM 135 CB ALA A 603 -2.256 -0.624 -21.348 1.00 25.00 C ATOM 0 H ALA A 603 -2.676 -1.511 -19.082 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.873 1.024 -20.052 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -2.136 -0.020 -22.247 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -1.314 -1.122 -21.117 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -3.031 -1.372 -21.514 1.00 25.00 H new ATOM 141 N PRO A 604 -4.009 2.232 -20.872 1.00 25.00 N ATOM 142 CA PRO A 604 -5.292 2.900 -21.115 1.00 25.00 C ATOM 143 C PRO A 604 -6.049 2.374 -22.330 1.00 25.00 C ATOM 144 O PRO A 604 -5.483 1.752 -23.229 1.00 25.00 O ATOM 145 CB PRO A 604 -4.881 4.361 -21.297 1.00 25.00 C ATOM 146 CG PRO A 604 -3.533 4.281 -21.828 1.00 25.00 C ATOM 147 CD PRO A 604 -2.879 3.140 -21.134 1.00 25.00 C ATOM 0 HA PRO A 604 -5.995 2.731 -20.300 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.550 4.882 -21.982 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.907 4.904 -20.352 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.548 4.123 -22.906 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.989 5.208 -21.649 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -2.117 2.670 -21.756 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -2.389 3.453 -20.212 1.00 25.00 H new ATOM 155 N LYS A 605 -7.348 2.635 -22.324 1.00 25.00 N ATOM 156 CA LYS A 605 -8.258 2.197 -23.381 1.00 25.00 C ATOM 157 C LYS A 605 -8.061 3.046 -24.629 1.00 25.00 C ATOM 158 O LYS A 605 -7.472 4.122 -24.568 1.00 25.00 O ATOM 159 CB LYS A 605 -9.711 2.362 -22.917 1.00 25.00 C ATOM 160 CG LYS A 605 -10.099 1.565 -21.675 1.00 25.00 C ATOM 161 CD LYS A 605 -9.974 2.408 -20.401 1.00 25.00 C ATOM 162 CE LYS A 605 -10.473 1.649 -19.192 1.00 25.00 C ATOM 163 NZ LYS A 605 -11.973 1.747 -19.074 1.00 25.00 N ATOM 0 H LYS A 605 -7.807 3.161 -21.581 1.00 25.00 H new ATOM 0 HA LYS A 605 -8.046 1.151 -23.604 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.894 3.419 -22.721 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.370 2.071 -23.735 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -11.124 1.208 -21.777 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.462 0.685 -21.593 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -8.933 2.692 -20.251 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -10.543 3.331 -20.515 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -10.178 0.602 -19.268 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -10.007 2.047 -18.291 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -12.257 1.561 -18.091 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -12.281 2.702 -19.349 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -12.417 1.046 -19.701 1.00 25.00 H new ATOM 177 N LEU A 606 -8.575 2.581 -25.756 1.00 25.00 N ATOM 178 CA LEU A 606 -8.513 3.348 -26.991 1.00 25.00 C ATOM 179 C LEU A 606 -9.641 2.901 -27.900 1.00 25.00 C ATOM 180 O LEU A 606 -9.666 1.766 -28.345 1.00 25.00 O ATOM 181 CB LEU A 606 -7.156 3.149 -27.689 1.00 25.00 C ATOM 182 CG LEU A 606 -6.849 3.982 -28.951 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.399 3.349 -30.235 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.353 5.422 -28.825 1.00 25.00 C ATOM 0 H LEU A 606 -9.040 1.677 -25.842 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.619 4.409 -26.763 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.374 3.354 -26.958 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -7.073 2.096 -27.958 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.762 3.997 -29.028 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -7.151 3.981 -31.088 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.955 2.363 -30.373 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.482 3.252 -30.158 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -7.115 5.972 -29.736 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.433 5.418 -28.675 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.870 5.903 -27.974 1.00 25.00 H new ATOM 196 N GLU A 607 -10.568 3.809 -28.177 1.00 25.00 N ATOM 197 CA GLU A 607 -11.699 3.504 -29.055 1.00 25.00 C ATOM 198 C GLU A 607 -11.606 4.315 -30.353 1.00 25.00 C ATOM 199 O GLU A 607 -12.393 4.129 -31.269 1.00 25.00 O ATOM 200 CB GLU A 607 -13.023 3.786 -28.337 1.00 25.00 C ATOM 201 CG GLU A 607 -13.054 3.357 -26.863 1.00 25.00 C ATOM 202 CD GLU A 607 -12.609 1.923 -26.620 1.00 25.00 C ATOM 203 OE1 GLU A 607 -11.681 1.738 -25.792 1.00 25.00 O ATOM 204 OE2 GLU A 607 -13.172 0.994 -27.228 1.00 25.00 O ATOM 0 H GLU A 607 -10.563 4.761 -27.810 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.664 2.445 -29.310 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -13.233 4.854 -28.396 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.826 3.274 -28.868 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -12.414 4.026 -26.288 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -14.068 3.480 -26.482 1.00 25.00 H new ATOM 211 N GLY A 608 -10.621 5.212 -30.417 1.00 25.00 N ATOM 212 CA GLY A 608 -10.339 5.966 -31.641 1.00 25.00 C ATOM 213 C GLY A 608 -11.490 6.807 -32.160 1.00 25.00 C ATOM 214 O GLY A 608 -11.721 6.889 -33.362 1.00 25.00 O ATOM 0 H GLY A 608 -10.004 5.435 -29.636 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.486 6.619 -31.458 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -10.042 5.265 -32.421 1.00 25.00 H new ATOM 218 N GLN A 609 -12.229 7.425 -31.255 1.00 25.00 N ATOM 219 CA GLN A 609 -13.429 8.167 -31.633 1.00 25.00 C ATOM 220 C GLN A 609 -13.070 9.515 -32.237 1.00 25.00 C ATOM 221 O GLN A 609 -12.515 10.376 -31.562 1.00 25.00 O ATOM 222 CB GLN A 609 -14.321 8.357 -30.413 1.00 25.00 C ATOM 223 CG GLN A 609 -14.849 7.039 -29.854 1.00 25.00 C ATOM 224 CD GLN A 609 -15.741 6.320 -30.838 1.00 25.00 C ATOM 225 OE1 GLN A 609 -16.773 6.828 -31.236 1.00 25.00 O ATOM 226 NE2 GLN A 609 -15.344 5.144 -31.238 1.00 25.00 N ATOM 0 H GLN A 609 -12.024 7.431 -30.256 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.967 7.593 -32.388 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.760 8.877 -29.636 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -15.163 8.996 -30.680 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -14.010 6.396 -29.590 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -15.404 7.232 -28.936 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -14.473 4.751 -30.882 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -15.905 4.617 -31.907 1.00 25.00 H new ATOM 235 N MET A 610 -13.386 9.672 -33.514 1.00 25.00 N ATOM 236 CA MET A 610 -13.062 10.878 -34.279 1.00 25.00 C ATOM 237 C MET A 610 -13.658 12.137 -33.656 1.00 25.00 C ATOM 238 O MET A 610 -14.718 12.086 -33.041 1.00 25.00 O ATOM 239 CB MET A 610 -13.600 10.734 -35.706 1.00 25.00 C ATOM 240 CG MET A 610 -13.194 9.432 -36.381 1.00 25.00 C ATOM 241 SD MET A 610 -13.673 9.421 -38.118 1.00 25.00 S ATOM 242 CE MET A 610 -13.284 7.726 -38.581 1.00 25.00 C ATOM 0 H MET A 610 -13.879 8.963 -34.057 1.00 25.00 H new ATOM 0 HA MET A 610 -11.977 10.982 -34.278 1.00 25.00 H new ATOM 0 HB2 MET A 610 -14.688 10.798 -35.684 1.00 25.00 H new ATOM 0 HB3 MET A 610 -13.244 11.571 -36.306 1.00 25.00 H new ATOM 0 HG2 MET A 610 -12.116 9.297 -36.298 1.00 25.00 H new ATOM 0 HG3 MET A 610 -13.661 8.592 -35.867 1.00 25.00 H new ATOM 0 HE1 MET A 610 -13.528 7.571 -39.632 1.00 25.00 H new ATOM 0 HE2 MET A 610 -12.221 7.541 -38.424 1.00 25.00 H new ATOM 0 HE3 MET A 610 -13.866 7.038 -37.968 1.00 25.00 H new ATOM 252 N GLY A 611 -12.982 13.264 -33.826 1.00 25.00 N ATOM 253 CA GLY A 611 -13.482 14.522 -33.287 1.00 25.00 C ATOM 254 C GLY A 611 -14.306 15.277 -34.309 1.00 25.00 C ATOM 255 O GLY A 611 -13.811 15.597 -35.385 1.00 25.00 O ATOM 0 H GLY A 611 -12.096 13.335 -34.327 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -14.089 14.324 -32.403 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -12.643 15.140 -32.966 1.00 25.00 H new ATOM 259 N GLU A 612 -15.555 15.571 -33.971 1.00 25.00 N ATOM 260 CA GLU A 612 -16.479 16.274 -34.868 1.00 25.00 C ATOM 261 C GLU A 612 -16.021 17.706 -35.103 1.00 25.00 C ATOM 262 O GLU A 612 -16.304 18.301 -36.135 1.00 25.00 O ATOM 263 CB GLU A 612 -17.889 16.310 -34.256 1.00 25.00 C ATOM 264 CG GLU A 612 -18.543 14.933 -34.036 1.00 25.00 C ATOM 265 CD GLU A 612 -18.090 14.226 -32.751 1.00 25.00 C ATOM 266 OE1 GLU A 612 -18.518 13.076 -32.530 1.00 25.00 O ATOM 267 OE2 GLU A 612 -17.301 14.801 -31.961 1.00 25.00 O ATOM 0 H GLU A 612 -15.962 15.331 -33.067 1.00 25.00 H new ATOM 0 HA GLU A 612 -16.494 15.736 -35.816 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -17.839 16.828 -33.298 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -18.535 16.902 -34.905 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -19.626 15.056 -34.008 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -18.317 14.294 -34.889 1.00 25.00 H new ATOM 274 N ASP A 613 -15.297 18.243 -34.132 1.00 25.00 N ATOM 275 CA ASP A 613 -14.753 19.600 -34.201 1.00 25.00 C ATOM 276 C ASP A 613 -13.770 19.764 -35.352 1.00 25.00 C ATOM 277 O ASP A 613 -13.517 20.875 -35.818 1.00 25.00 O ATOM 278 CB ASP A 613 -13.945 19.906 -32.929 1.00 25.00 C ATOM 279 CG ASP A 613 -14.723 19.683 -31.655 1.00 25.00 C ATOM 280 OD1 ASP A 613 -14.950 18.510 -31.296 1.00 25.00 O ATOM 281 OD2 ASP A 613 -15.071 20.678 -30.982 1.00 25.00 O ATOM 0 H ASP A 613 -15.067 17.751 -33.269 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.608 20.264 -34.328 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -13.053 19.280 -32.915 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -13.607 20.942 -32.963 1.00 25.00 H new ATOM 286 N GLY A 614 -13.180 18.652 -35.771 1.00 25.00 N ATOM 287 CA GLY A 614 -12.074 18.696 -36.709 1.00 25.00 C ATOM 288 C GLY A 614 -10.839 19.069 -35.907 1.00 25.00 C ATOM 289 O GLY A 614 -10.962 19.628 -34.812 1.00 25.00 O ATOM 0 H GLY A 614 -13.450 17.714 -35.476 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.942 17.731 -37.197 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -12.261 19.428 -37.495 1.00 25.00 H new ATOM 293 N ASN A 615 -9.650 18.759 -36.417 1.00 25.00 N ATOM 294 CA ASN A 615 -8.390 19.101 -35.726 1.00 25.00 C ATOM 295 C ASN A 615 -8.379 18.527 -34.279 1.00 25.00 C ATOM 296 O ASN A 615 -7.703 19.062 -33.390 1.00 25.00 O ATOM 297 CB ASN A 615 -8.255 20.647 -35.726 1.00 25.00 C ATOM 298 CG ASN A 615 -6.828 21.126 -35.788 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.403 21.699 -36.773 1.00 25.00 O ATOM 300 ND2 ASN A 615 -6.097 20.916 -34.748 1.00 25.00 N ATOM 0 H ASN A 615 -9.523 18.272 -37.304 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.539 18.657 -36.243 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.803 21.052 -36.577 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.725 21.045 -34.826 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -5.128 21.234 -34.733 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.487 20.432 -33.940 1.00 25.00 H new ATOM 307 N SER A 616 -9.155 17.465 -34.052 1.00 25.00 N ATOM 308 CA SER A 616 -9.365 16.903 -32.710 1.00 25.00 C ATOM 309 C SER A 616 -9.727 15.409 -32.726 1.00 25.00 C ATOM 310 O SER A 616 -10.172 14.899 -33.753 1.00 25.00 O ATOM 311 CB SER A 616 -10.539 17.634 -32.056 1.00 25.00 C ATOM 312 OG SER A 616 -10.417 19.043 -32.178 1.00 25.00 O ATOM 0 H SER A 616 -9.656 16.969 -34.789 1.00 25.00 H new ATOM 0 HA SER A 616 -8.427 17.025 -32.169 1.00 25.00 H new ATOM 0 HB2 SER A 616 -11.472 17.309 -32.517 1.00 25.00 H new ATOM 0 HB3 SER A 616 -10.593 17.364 -31.001 1.00 25.00 H new ATOM 0 HG SER A 616 -10.738 19.324 -33.060 1.00 25.00 H new ATOM 318 N ILE A 617 -9.561 14.725 -31.592 1.00 25.00 N ATOM 319 CA ILE A 617 -9.946 13.302 -31.456 1.00 25.00 C ATOM 320 C ILE A 617 -10.124 12.917 -29.977 1.00 25.00 C ATOM 321 O ILE A 617 -9.542 13.560 -29.109 1.00 25.00 O ATOM 322 CB ILE A 617 -8.874 12.382 -32.113 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.447 10.974 -32.342 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.565 12.325 -31.266 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.878 10.253 -33.527 1.00 25.00 C ATOM 0 H ILE A 617 -9.161 15.129 -30.745 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.898 13.164 -31.968 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.611 12.811 -33.080 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -9.270 10.374 -31.449 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.527 11.051 -32.465 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.842 11.674 -31.757 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -7.147 13.327 -31.175 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.790 11.934 -30.274 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.340 9.269 -33.611 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -9.078 10.826 -34.432 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.801 10.139 -33.401 1.00 25.00 H new ATOM 337 N LYS A 618 -10.906 11.877 -29.686 1.00 25.00 N ATOM 338 CA LYS A 618 -11.113 11.416 -28.304 1.00 25.00 C ATOM 339 C LYS A 618 -10.504 10.032 -28.090 1.00 25.00 C ATOM 340 O LYS A 618 -10.604 9.154 -28.953 1.00 25.00 O ATOM 341 CB LYS A 618 -12.607 11.326 -27.955 1.00 25.00 C ATOM 342 CG LYS A 618 -13.460 12.543 -28.328 1.00 25.00 C ATOM 343 CD LYS A 618 -14.211 12.320 -29.648 1.00 25.00 C ATOM 344 CE LYS A 618 -15.590 12.965 -29.644 1.00 25.00 C ATOM 345 NZ LYS A 618 -16.420 12.396 -30.754 1.00 25.00 N ATOM 0 H LYS A 618 -11.409 11.334 -30.387 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.626 12.149 -27.661 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -13.023 10.450 -28.452 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -12.699 11.158 -26.882 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -14.175 12.745 -27.531 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -12.822 13.423 -28.415 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.624 12.728 -30.471 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -14.313 11.250 -29.829 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -16.080 12.792 -28.686 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -15.497 14.044 -29.764 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -17.293 12.953 -30.856 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.882 12.431 -31.643 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -16.663 11.409 -30.535 1.00 25.00 H new ATOM 359 N VAL A 619 -9.896 9.834 -26.933 1.00 25.00 N ATOM 360 CA VAL A 619 -9.306 8.547 -26.551 1.00 25.00 C ATOM 361 C VAL A 619 -9.885 8.259 -25.160 1.00 25.00 C ATOM 362 O VAL A 619 -10.092 9.181 -24.370 1.00 25.00 O ATOM 363 CB VAL A 619 -7.718 8.583 -26.617 1.00 25.00 C ATOM 364 CG1 VAL A 619 -7.195 10.016 -26.881 1.00 25.00 C ATOM 365 CG2 VAL A 619 -7.062 7.999 -25.356 1.00 25.00 C ATOM 0 H VAL A 619 -9.793 10.560 -26.224 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.555 7.738 -27.238 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.434 7.948 -27.456 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -6.106 10.004 -26.920 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.588 10.378 -27.831 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.522 10.676 -26.078 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.978 8.048 -25.454 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -7.374 8.574 -24.484 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -7.369 6.960 -25.234 1.00 25.00 H new ATOM 375 N ASN A 620 -10.189 6.999 -24.872 1.00 25.00 N ATOM 376 CA ASN A 620 -10.845 6.643 -23.610 1.00 25.00 C ATOM 377 C ASN A 620 -9.816 6.460 -22.504 1.00 25.00 C ATOM 378 O ASN A 620 -8.669 6.113 -22.754 1.00 25.00 O ATOM 379 CB ASN A 620 -11.693 5.381 -23.772 1.00 25.00 C ATOM 380 CG ASN A 620 -13.084 5.681 -24.281 1.00 25.00 C ATOM 381 OD1 ASN A 620 -14.058 5.290 -23.676 1.00 25.00 O ATOM 382 ND2 ASN A 620 -13.182 6.382 -25.386 1.00 25.00 N ATOM 0 H ASN A 620 -9.995 6.209 -25.487 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.508 7.462 -23.331 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -11.196 4.699 -24.462 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -11.763 4.868 -22.813 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -14.101 6.615 -25.763 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.339 6.694 -25.868 1.00 25.00 H new ATOM 389 N LEU A 621 -10.236 6.721 -21.278 1.00 25.00 N ATOM 390 CA LEU A 621 -9.343 6.746 -20.131 1.00 25.00 C ATOM 391 C LEU A 621 -9.790 5.833 -18.995 1.00 25.00 C ATOM 392 O LEU A 621 -10.964 5.502 -18.854 1.00 25.00 O ATOM 393 CB LEU A 621 -9.154 8.187 -19.663 1.00 25.00 C ATOM 394 CG LEU A 621 -7.748 8.629 -19.227 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.638 8.254 -20.227 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.787 10.136 -19.074 1.00 25.00 C ATOM 0 H LEU A 621 -11.209 6.922 -21.049 1.00 25.00 H new ATOM 0 HA LEU A 621 -8.382 6.344 -20.453 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.474 8.845 -20.471 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.831 8.357 -18.826 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.503 8.112 -18.299 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.676 8.599 -19.849 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.611 7.172 -20.352 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.840 8.725 -21.189 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.806 10.496 -18.764 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -8.056 10.592 -20.027 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.527 10.406 -18.321 1.00 25.00 H new ATOM 408 N ILE A 622 -8.821 5.377 -18.221 1.00 25.00 N ATOM 409 CA ILE A 622 -9.084 4.565 -17.039 1.00 25.00 C ATOM 410 C ILE A 622 -10.090 5.318 -16.153 1.00 25.00 C ATOM 411 O ILE A 622 -9.872 6.453 -15.773 1.00 25.00 O ATOM 412 CB ILE A 622 -7.744 4.309 -16.301 1.00 25.00 C ATOM 413 CG1 ILE A 622 -6.911 3.283 -17.075 1.00 25.00 C ATOM 414 CG2 ILE A 622 -7.935 3.810 -14.894 1.00 25.00 C ATOM 415 CD1 ILE A 622 -5.623 3.818 -17.574 1.00 25.00 C ATOM 0 H ILE A 622 -7.831 5.557 -18.391 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.512 3.598 -17.304 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.231 5.269 -16.248 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -6.713 2.427 -16.430 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.494 2.917 -17.920 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -6.962 3.649 -14.430 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.494 4.548 -14.319 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.487 2.871 -14.913 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -5.088 3.035 -18.112 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -5.813 4.655 -18.246 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.019 4.158 -16.732 1.00 25.00 H new ATOM 427 N LYS A 623 -11.214 4.676 -15.862 1.00 25.00 N ATOM 428 CA LYS A 623 -12.282 5.287 -15.062 1.00 25.00 C ATOM 429 C LYS A 623 -12.626 4.492 -13.808 1.00 25.00 C ATOM 430 O LYS A 623 -13.653 4.700 -13.173 1.00 25.00 O ATOM 431 CB LYS A 623 -13.508 5.550 -15.952 1.00 25.00 C ATOM 432 CG LYS A 623 -14.085 4.332 -16.693 1.00 25.00 C ATOM 433 CD LYS A 623 -15.052 3.552 -15.838 1.00 25.00 C ATOM 434 CE LYS A 623 -15.805 2.555 -16.677 1.00 25.00 C ATOM 435 NZ LYS A 623 -16.857 1.877 -15.858 1.00 25.00 N ATOM 0 H LYS A 623 -11.416 3.724 -16.168 1.00 25.00 H new ATOM 0 HA LYS A 623 -11.914 6.242 -14.687 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -14.296 5.978 -15.332 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -13.239 6.304 -16.691 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -14.591 4.666 -17.599 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -13.270 3.679 -17.005 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -14.512 3.035 -15.045 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -15.752 4.233 -15.355 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -16.265 3.059 -17.527 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -15.115 1.814 -17.080 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -17.369 1.192 -16.449 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -16.410 1.381 -15.061 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -17.524 2.587 -15.494 1.00 25.00 H new ATOM 449 N GLN A 624 -11.756 3.560 -13.473 1.00 25.00 N ATOM 450 CA GLN A 624 -11.935 2.667 -12.333 1.00 25.00 C ATOM 451 C GLN A 624 -10.516 2.397 -11.872 1.00 25.00 C ATOM 452 O GLN A 624 -9.596 2.650 -12.635 1.00 25.00 O ATOM 453 CB GLN A 624 -12.662 1.371 -12.757 1.00 25.00 C ATOM 454 CG GLN A 624 -11.884 0.441 -13.725 1.00 25.00 C ATOM 455 CD GLN A 624 -11.665 1.031 -15.113 1.00 25.00 C ATOM 456 OE1 GLN A 624 -12.582 1.143 -15.929 1.00 25.00 O ATOM 457 NE2 GLN A 624 -10.451 1.403 -15.393 1.00 25.00 N ATOM 0 H GLN A 624 -10.891 3.395 -13.989 1.00 25.00 H new ATOM 0 HA GLN A 624 -12.553 3.093 -11.543 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -12.907 0.804 -11.858 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.606 1.645 -13.228 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -10.915 0.205 -13.285 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.427 -0.499 -13.823 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -9.712 1.298 -14.698 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -10.237 1.800 -16.308 1.00 25.00 H new ATOM 466 N ASP A 625 -10.304 1.907 -10.666 1.00 25.00 N ATOM 467 CA ASP A 625 -8.945 1.632 -10.215 1.00 25.00 C ATOM 468 C ASP A 625 -8.459 0.344 -10.883 1.00 25.00 C ATOM 469 O ASP A 625 -9.238 -0.555 -11.177 1.00 25.00 O ATOM 470 CB ASP A 625 -8.867 1.537 -8.688 1.00 25.00 C ATOM 471 CG ASP A 625 -9.746 0.442 -8.119 1.00 25.00 C ATOM 472 OD1 ASP A 625 -10.984 0.499 -8.309 1.00 25.00 O ATOM 473 OD2 ASP A 625 -9.197 -0.461 -7.464 1.00 25.00 O ATOM 0 H ASP A 625 -11.036 1.693 -9.989 1.00 25.00 H new ATOM 0 HA ASP A 625 -8.295 2.457 -10.505 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -7.833 1.356 -8.393 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -9.160 2.493 -8.254 1.00 25.00 H new ATOM 478 N ASP A 626 -7.162 0.283 -11.147 1.00 25.00 N ATOM 479 CA ASP A 626 -6.566 -0.849 -11.864 1.00 25.00 C ATOM 480 C ASP A 626 -5.818 -1.814 -10.972 1.00 25.00 C ATOM 481 O ASP A 626 -5.475 -2.924 -11.382 1.00 25.00 O ATOM 482 CB ASP A 626 -5.528 -0.331 -12.835 1.00 25.00 C ATOM 483 CG ASP A 626 -6.130 0.387 -14.016 1.00 25.00 C ATOM 484 OD1 ASP A 626 -5.532 1.394 -14.421 1.00 25.00 O ATOM 485 OD2 ASP A 626 -7.163 -0.055 -14.563 1.00 25.00 O ATOM 0 H ASP A 626 -6.494 1.005 -10.876 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.403 -1.364 -12.336 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -4.854 0.346 -12.310 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -4.926 -1.166 -13.193 1.00 25.00 H new ATOM 490 N GLY A 627 -5.524 -1.382 -9.762 1.00 25.00 N ATOM 491 CA GLY A 627 -4.723 -2.194 -8.866 1.00 25.00 C ATOM 492 C GLY A 627 -5.147 -2.109 -7.423 1.00 25.00 C ATOM 493 O GLY A 627 -6.256 -2.446 -7.067 1.00 25.00 O ATOM 0 H GLY A 627 -5.823 -0.485 -9.379 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -4.775 -3.234 -9.189 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -3.680 -1.887 -8.947 1.00 25.00 H new ATOM 497 N GLY A 628 -4.226 -1.660 -6.590 1.00 25.00 N ATOM 498 CA GLY A 628 -4.482 -1.555 -5.158 1.00 25.00 C ATOM 499 C GLY A 628 -4.696 -0.125 -4.703 1.00 25.00 C ATOM 500 O GLY A 628 -4.805 0.150 -3.513 1.00 25.00 O ATOM 0 H GLY A 628 -3.294 -1.361 -6.876 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -5.362 -2.147 -4.906 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -3.642 -1.984 -4.611 1.00 25.00 H new ATOM 504 N SER A 629 -4.730 0.796 -5.654 1.00 25.00 N ATOM 505 CA SER A 629 -4.932 2.215 -5.369 1.00 25.00 C ATOM 506 C SER A 629 -5.448 2.873 -6.640 1.00 25.00 C ATOM 507 O SER A 629 -5.158 2.389 -7.746 1.00 25.00 O ATOM 508 CB SER A 629 -3.610 2.888 -4.975 1.00 25.00 C ATOM 509 OG SER A 629 -3.078 2.316 -3.795 1.00 25.00 O ATOM 0 H SER A 629 -4.619 0.585 -6.646 1.00 25.00 H new ATOM 0 HA SER A 629 -5.636 2.322 -4.544 1.00 25.00 H new ATOM 0 HB2 SER A 629 -2.891 2.787 -5.788 1.00 25.00 H new ATOM 0 HB3 SER A 629 -3.773 3.955 -4.824 1.00 25.00 H new ATOM 0 HG SER A 629 -3.676 1.608 -3.476 1.00 25.00 H new ATOM 515 N PRO A 630 -6.198 3.982 -6.512 1.00 25.00 N ATOM 516 CA PRO A 630 -6.631 4.662 -7.735 1.00 25.00 C ATOM 517 C PRO A 630 -5.482 5.404 -8.412 1.00 25.00 C ATOM 518 O PRO A 630 -4.385 5.548 -7.854 1.00 25.00 O ATOM 519 CB PRO A 630 -7.691 5.639 -7.219 1.00 25.00 C ATOM 520 CG PRO A 630 -7.221 5.987 -5.864 1.00 25.00 C ATOM 521 CD PRO A 630 -6.682 4.690 -5.308 1.00 25.00 C ATOM 0 HA PRO A 630 -7.002 3.974 -8.494 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -7.765 6.521 -7.855 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.679 5.180 -7.194 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.450 6.756 -5.897 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -8.033 6.376 -5.249 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -5.879 4.862 -4.592 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -7.455 4.122 -4.790 1.00 25.00 H new ATOM 529 N ILE A 631 -5.740 5.870 -9.621 1.00 25.00 N ATOM 530 CA ILE A 631 -4.762 6.623 -10.396 1.00 25.00 C ATOM 531 C ILE A 631 -4.586 7.990 -9.713 1.00 25.00 C ATOM 532 O ILE A 631 -5.506 8.489 -9.075 1.00 25.00 O ATOM 533 CB ILE A 631 -5.252 6.753 -11.896 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.769 5.549 -12.741 1.00 25.00 C ATOM 535 CG2 ILE A 631 -4.718 8.022 -12.573 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.252 4.193 -12.290 1.00 25.00 C ATOM 0 H ILE A 631 -6.633 5.739 -10.096 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.797 6.117 -10.428 1.00 25.00 H new ATOM 0 HB ILE A 631 -6.340 6.790 -11.851 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -5.087 5.702 -13.772 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.679 5.544 -12.741 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -5.081 8.067 -13.600 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -5.065 8.899 -12.027 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -3.628 8.003 -12.574 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.853 3.426 -12.953 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -4.911 4.006 -11.272 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.341 4.167 -12.319 1.00 25.00 H new ATOM 548 N ARG A 632 -3.410 8.587 -9.862 1.00 25.00 N ATOM 549 CA ARG A 632 -3.140 9.942 -9.390 1.00 25.00 C ATOM 550 C ARG A 632 -3.389 10.896 -10.566 1.00 25.00 C ATOM 551 O ARG A 632 -4.197 11.821 -10.467 1.00 25.00 O ATOM 552 CB ARG A 632 -1.671 10.082 -8.969 1.00 25.00 C ATOM 553 CG ARG A 632 -1.357 9.885 -7.476 1.00 25.00 C ATOM 554 CD ARG A 632 0.154 10.034 -7.275 1.00 25.00 C ATOM 555 NE ARG A 632 0.676 11.320 -7.772 1.00 25.00 N ATOM 556 CZ ARG A 632 1.953 11.577 -8.039 1.00 25.00 C ATOM 557 NH1 ARG A 632 2.901 10.686 -7.869 1.00 25.00 N ATOM 558 NH2 ARG A 632 2.279 12.753 -8.491 1.00 25.00 N ATOM 0 H ARG A 632 -2.612 8.143 -10.316 1.00 25.00 H new ATOM 0 HA ARG A 632 -3.779 10.167 -8.536 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -1.084 9.361 -9.538 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -1.327 11.074 -9.261 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -1.894 10.620 -6.876 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -1.688 8.900 -7.146 1.00 25.00 H new ATOM 0 HD2 ARG A 632 0.385 9.940 -6.214 1.00 25.00 H new ATOM 0 HD3 ARG A 632 0.665 9.218 -7.786 1.00 25.00 H new ATOM 0 HE ARG A 632 0.004 12.072 -7.923 1.00 25.00 H new ATOM 0 HH11 ARG A 632 2.670 9.756 -7.520 1.00 25.00 H new ATOM 0 HH12 ARG A 632 3.869 10.923 -8.086 1.00 25.00 H new ATOM 0 HH21 ARG A 632 1.559 13.461 -8.635 1.00 25.00 H new ATOM 0 HH22 ARG A 632 3.254 12.966 -8.701 1.00 25.00 H new ATOM 572 N HIS A 633 -2.679 10.667 -11.669 1.00 25.00 N ATOM 573 CA HIS A 633 -2.744 11.539 -12.853 1.00 25.00 C ATOM 574 C HIS A 633 -2.648 10.746 -14.162 1.00 25.00 C ATOM 575 O HIS A 633 -2.270 9.576 -14.161 1.00 25.00 O ATOM 576 CB HIS A 633 -1.556 12.522 -12.842 1.00 25.00 C ATOM 577 CG HIS A 633 -1.307 13.168 -11.514 1.00 25.00 C ATOM 578 ND1 HIS A 633 -2.188 14.004 -10.875 1.00 25.00 N ATOM 579 CD2 HIS A 633 -0.229 13.094 -10.686 1.00 25.00 C ATOM 580 CE1 HIS A 633 -1.644 14.386 -9.724 1.00 25.00 C ATOM 581 NE2 HIS A 633 -0.449 13.856 -9.550 1.00 25.00 N ATOM 0 H HIS A 633 -2.043 9.876 -11.773 1.00 25.00 H new ATOM 0 HA HIS A 633 -3.703 12.055 -12.807 1.00 25.00 H new ATOM 0 HB2 HIS A 633 -0.656 11.990 -13.149 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -1.736 13.300 -13.584 1.00 25.00 H new ATOM 0 HD1 HIS A 633 -3.104 14.285 -11.224 1.00 25.00 H new ATOM 0 HD2 HIS A 633 0.667 12.525 -10.885 1.00 25.00 H new ATOM 0 HE1 HIS A 633 -2.122 15.049 -9.018 1.00 25.00 H new ATOM 589 N TYR A 634 -2.952 11.401 -15.274 1.00 25.00 N ATOM 590 CA TYR A 634 -2.765 10.829 -16.611 1.00 25.00 C ATOM 591 C TYR A 634 -1.817 11.725 -17.364 1.00 25.00 C ATOM 592 O TYR A 634 -1.824 12.942 -17.169 1.00 25.00 O ATOM 593 CB TYR A 634 -4.078 10.748 -17.378 1.00 25.00 C ATOM 594 CG TYR A 634 -5.052 9.843 -16.707 1.00 25.00 C ATOM 595 CD1 TYR A 634 -6.180 10.362 -16.055 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.847 8.452 -16.705 1.00 25.00 C ATOM 597 CE1 TYR A 634 -7.077 9.513 -15.384 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.735 7.600 -16.023 1.00 25.00 C ATOM 599 CZ TYR A 634 -6.836 8.142 -15.353 1.00 25.00 C ATOM 600 OH TYR A 634 -7.654 7.311 -14.655 1.00 25.00 O ATOM 0 H TYR A 634 -3.336 12.346 -15.280 1.00 25.00 H new ATOM 0 HA TYR A 634 -2.373 9.817 -16.511 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -4.509 11.745 -17.468 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.887 10.391 -18.390 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -6.362 11.427 -16.069 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -4.001 8.034 -17.231 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -7.949 9.922 -14.895 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.567 6.533 -16.017 1.00 25.00 H new ATOM 0 HH TYR A 634 -8.441 7.096 -15.197 1.00 25.00 H new ATOM 610 N LEU A 635 -0.999 11.116 -18.207 1.00 25.00 N ATOM 611 CA LEU A 635 -0.010 11.844 -18.983 1.00 25.00 C ATOM 612 C LEU A 635 -0.166 11.422 -20.443 1.00 25.00 C ATOM 613 O LEU A 635 -0.084 10.232 -20.758 1.00 25.00 O ATOM 614 CB LEU A 635 1.411 11.518 -18.484 1.00 25.00 C ATOM 615 CG LEU A 635 1.760 11.764 -16.996 1.00 25.00 C ATOM 616 CD1 LEU A 635 1.389 10.580 -16.068 1.00 25.00 C ATOM 617 CD2 LEU A 635 3.262 11.999 -16.881 1.00 25.00 C ATOM 0 H LEU A 635 -1.002 10.109 -18.372 1.00 25.00 H new ATOM 0 HA LEU A 635 -0.161 12.918 -18.877 1.00 25.00 H new ATOM 0 HB2 LEU A 635 1.601 10.466 -18.697 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.112 12.096 -19.086 1.00 25.00 H new ATOM 0 HG LEU A 635 1.176 12.627 -16.674 1.00 25.00 H new ATOM 0 HD11 LEU A 635 1.662 10.823 -15.041 1.00 25.00 H new ATOM 0 HD12 LEU A 635 0.316 10.396 -16.124 1.00 25.00 H new ATOM 0 HD13 LEU A 635 1.927 9.687 -16.385 1.00 25.00 H new ATOM 0 HD21 LEU A 635 3.524 12.174 -15.838 1.00 25.00 H new ATOM 0 HD22 LEU A 635 3.797 11.122 -17.247 1.00 25.00 H new ATOM 0 HD23 LEU A 635 3.541 12.869 -17.476 1.00 25.00 H new ATOM 629 N VAL A 636 -0.397 12.380 -21.328 1.00 25.00 N ATOM 630 CA VAL A 636 -0.549 12.089 -22.763 1.00 25.00 C ATOM 631 C VAL A 636 0.567 12.797 -23.519 1.00 25.00 C ATOM 632 O VAL A 636 0.915 13.925 -23.187 1.00 25.00 O ATOM 633 CB VAL A 636 -1.925 12.581 -23.315 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.222 11.957 -24.684 1.00 25.00 C ATOM 635 CG2 VAL A 636 -3.064 12.250 -22.329 1.00 25.00 C ATOM 0 H VAL A 636 -0.485 13.367 -21.087 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.500 11.009 -22.901 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.866 13.663 -23.430 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.185 12.316 -25.046 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.441 12.240 -25.390 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.251 10.871 -24.590 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -4.012 12.603 -22.736 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -3.113 11.172 -22.178 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.874 12.742 -21.375 1.00 25.00 H new ATOM 645 N ARG A 637 1.117 12.147 -24.534 1.00 25.00 N ATOM 646 CA ARG A 637 2.184 12.718 -25.351 1.00 25.00 C ATOM 647 C ARG A 637 1.849 12.374 -26.785 1.00 25.00 C ATOM 648 O ARG A 637 1.568 11.229 -27.082 1.00 25.00 O ATOM 649 CB ARG A 637 3.527 12.101 -24.941 1.00 25.00 C ATOM 650 CG ARG A 637 4.692 12.527 -25.814 1.00 25.00 C ATOM 651 CD ARG A 637 6.036 12.234 -25.169 1.00 25.00 C ATOM 652 NE ARG A 637 6.268 13.095 -23.997 1.00 25.00 N ATOM 653 CZ ARG A 637 7.314 13.026 -23.184 1.00 25.00 C ATOM 654 NH1 ARG A 637 8.283 12.158 -23.357 1.00 25.00 N ATOM 655 NH2 ARG A 637 7.381 13.847 -22.178 1.00 25.00 N ATOM 0 H ARG A 637 0.838 11.208 -24.817 1.00 25.00 H new ATOM 0 HA ARG A 637 2.265 13.797 -25.223 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.741 12.375 -23.908 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.441 11.015 -24.972 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.632 12.011 -26.772 1.00 25.00 H new ATOM 0 HG3 ARG A 637 4.616 13.594 -26.021 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.076 11.187 -24.867 1.00 25.00 H new ATOM 0 HD3 ARG A 637 6.832 12.386 -25.898 1.00 25.00 H new ATOM 0 HE ARG A 637 5.565 13.805 -23.793 1.00 25.00 H new ATOM 0 HH11 ARG A 637 8.249 11.504 -24.139 1.00 25.00 H new ATOM 0 HH12 ARG A 637 9.071 12.137 -22.709 1.00 25.00 H new ATOM 0 HH21 ARG A 637 6.637 14.528 -22.025 1.00 25.00 H new ATOM 0 HH22 ARG A 637 8.177 13.810 -21.541 1.00 25.00 H new ATOM 669 N TYR A 638 1.860 13.347 -27.677 1.00 25.00 N ATOM 670 CA TYR A 638 1.518 13.078 -29.068 1.00 25.00 C ATOM 671 C TYR A 638 2.375 13.927 -29.980 1.00 25.00 C ATOM 672 O TYR A 638 2.963 14.917 -29.537 1.00 25.00 O ATOM 673 CB TYR A 638 0.023 13.328 -29.317 1.00 25.00 C ATOM 674 CG TYR A 638 -0.399 14.777 -29.273 1.00 25.00 C ATOM 675 CD1 TYR A 638 -0.610 15.496 -30.469 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.605 15.439 -28.044 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.030 16.848 -30.439 1.00 25.00 C ATOM 678 CE2 TYR A 638 -1.014 16.794 -28.013 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.229 17.485 -29.214 1.00 25.00 C ATOM 680 OH TYR A 638 -1.625 18.796 -29.198 1.00 25.00 O ATOM 0 H TYR A 638 2.098 14.317 -27.472 1.00 25.00 H new ATOM 0 HA TYR A 638 1.717 12.029 -29.286 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.241 12.918 -30.292 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.551 12.776 -28.573 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.449 15.009 -31.419 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.449 14.907 -27.117 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.196 17.384 -31.362 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -1.160 17.294 -27.067 1.00 25.00 H new ATOM 0 HH TYR A 638 -1.827 19.088 -30.111 1.00 25.00 H new ATOM 690 N ARG A 639 2.456 13.526 -31.238 1.00 25.00 N ATOM 691 CA ARG A 639 3.269 14.212 -32.239 1.00 25.00 C ATOM 692 C ARG A 639 2.537 14.076 -33.558 1.00 25.00 C ATOM 693 O ARG A 639 1.930 13.045 -33.820 1.00 25.00 O ATOM 694 CB ARG A 639 4.654 13.552 -32.299 1.00 25.00 C ATOM 695 CG ARG A 639 5.537 13.972 -33.446 1.00 25.00 C ATOM 696 CD ARG A 639 5.597 12.863 -34.470 1.00 25.00 C ATOM 697 NE ARG A 639 6.044 13.355 -35.777 1.00 25.00 N ATOM 698 CZ ARG A 639 6.273 12.591 -36.836 1.00 25.00 C ATOM 699 NH1 ARG A 639 6.123 11.285 -36.805 1.00 25.00 N ATOM 700 NH2 ARG A 639 6.658 13.154 -37.949 1.00 25.00 N ATOM 0 H ARG A 639 1.959 12.712 -31.599 1.00 25.00 H new ATOM 0 HA ARG A 639 3.416 15.265 -32.000 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.177 13.766 -31.367 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.518 12.472 -32.348 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.149 14.882 -33.903 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.539 14.200 -33.083 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.276 12.084 -34.123 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.612 12.407 -34.570 1.00 25.00 H new ATOM 0 HE ARG A 639 6.190 14.359 -35.879 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.821 10.827 -35.945 1.00 25.00 H new ATOM 0 HH12 ARG A 639 6.309 10.730 -37.641 1.00 25.00 H new ATOM 0 HH21 ARG A 639 6.778 14.166 -37.994 1.00 25.00 H new ATOM 0 HH22 ARG A 639 6.839 12.582 -38.774 1.00 25.00 H new ATOM 714 N ALA A 640 2.585 15.115 -34.373 1.00 25.00 N ATOM 715 CA ALA A 640 1.916 15.122 -35.663 1.00 25.00 C ATOM 716 C ALA A 640 2.984 15.161 -36.748 1.00 25.00 C ATOM 717 O ALA A 640 4.121 15.485 -36.453 1.00 25.00 O ATOM 718 CB ALA A 640 0.991 16.323 -35.751 1.00 25.00 C ATOM 0 H ALA A 640 3.088 15.977 -34.160 1.00 25.00 H new ATOM 0 HA ALA A 640 1.307 14.227 -35.792 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.490 16.326 -36.719 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.246 16.267 -34.957 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.572 17.239 -35.640 1.00 25.00 H new ATOM 724 N LEU A 641 2.640 14.834 -37.984 1.00 25.00 N ATOM 725 CA LEU A 641 3.629 14.816 -39.066 1.00 25.00 C ATOM 726 C LEU A 641 4.314 16.168 -39.224 1.00 25.00 C ATOM 727 O LEU A 641 5.515 16.237 -39.469 1.00 25.00 O ATOM 728 CB LEU A 641 2.965 14.425 -40.392 1.00 25.00 C ATOM 729 CG LEU A 641 3.669 13.309 -41.182 1.00 25.00 C ATOM 730 CD1 LEU A 641 3.683 11.978 -40.411 1.00 25.00 C ATOM 731 CD2 LEU A 641 2.957 13.114 -42.520 1.00 25.00 C ATOM 0 H LEU A 641 1.694 14.579 -38.268 1.00 25.00 H new ATOM 0 HA LEU A 641 4.384 14.076 -38.802 1.00 25.00 H new ATOM 0 HB2 LEU A 641 1.942 14.111 -40.187 1.00 25.00 H new ATOM 0 HB3 LEU A 641 2.906 15.311 -41.024 1.00 25.00 H new ATOM 0 HG LEU A 641 4.704 13.611 -41.340 1.00 25.00 H new ATOM 0 HD11 LEU A 641 4.190 11.218 -41.006 1.00 25.00 H new ATOM 0 HD12 LEU A 641 4.210 12.110 -39.466 1.00 25.00 H new ATOM 0 HD13 LEU A 641 2.659 11.661 -40.214 1.00 25.00 H new ATOM 0 HD21 LEU A 641 3.452 12.324 -43.084 1.00 25.00 H new ATOM 0 HD22 LEU A 641 1.918 12.836 -42.342 1.00 25.00 H new ATOM 0 HD23 LEU A 641 2.992 14.043 -43.090 1.00 25.00 H new ATOM 743 N SER A 642 3.541 17.230 -39.069 1.00 25.00 N ATOM 744 CA SER A 642 4.034 18.601 -39.188 1.00 25.00 C ATOM 745 C SER A 642 4.603 19.165 -37.882 1.00 25.00 C ATOM 746 O SER A 642 4.898 20.353 -37.802 1.00 25.00 O ATOM 747 CB SER A 642 2.892 19.502 -39.651 1.00 25.00 C ATOM 748 OG SER A 642 2.109 18.845 -40.635 1.00 25.00 O ATOM 0 H SER A 642 2.545 17.169 -38.855 1.00 25.00 H new ATOM 0 HA SER A 642 4.851 18.578 -39.909 1.00 25.00 H new ATOM 0 HB2 SER A 642 2.266 19.772 -38.800 1.00 25.00 H new ATOM 0 HB3 SER A 642 3.295 20.430 -40.058 1.00 25.00 H new ATOM 0 HG SER A 642 1.499 18.214 -40.200 1.00 25.00 H new ATOM 754 N SER A 643 4.710 18.339 -36.847 1.00 25.00 N ATOM 755 CA SER A 643 5.092 18.821 -35.519 1.00 25.00 C ATOM 756 C SER A 643 6.029 17.867 -34.764 1.00 25.00 C ATOM 757 O SER A 643 6.307 16.752 -35.199 1.00 25.00 O ATOM 758 CB SER A 643 3.805 19.047 -34.711 1.00 25.00 C ATOM 759 OG SER A 643 4.009 19.865 -33.570 1.00 25.00 O ATOM 0 H SER A 643 4.539 17.335 -36.899 1.00 25.00 H new ATOM 0 HA SER A 643 5.654 19.746 -35.646 1.00 25.00 H new ATOM 0 HB2 SER A 643 3.054 19.508 -35.353 1.00 25.00 H new ATOM 0 HB3 SER A 643 3.406 18.083 -34.395 1.00 25.00 H new ATOM 0 HG SER A 643 3.142 20.110 -33.184 1.00 25.00 H new ATOM 765 N GLU A 644 6.501 18.325 -33.617 1.00 25.00 N ATOM 766 CA GLU A 644 7.371 17.546 -32.737 1.00 25.00 C ATOM 767 C GLU A 644 6.519 16.955 -31.610 1.00 25.00 C ATOM 768 O GLU A 644 5.321 17.230 -31.516 1.00 25.00 O ATOM 769 CB GLU A 644 8.492 18.426 -32.131 1.00 25.00 C ATOM 770 CG GLU A 644 8.429 19.928 -32.464 1.00 25.00 C ATOM 771 CD GLU A 644 7.216 20.615 -31.848 1.00 25.00 C ATOM 772 OE1 GLU A 644 7.127 20.723 -30.610 1.00 25.00 O ATOM 773 OE2 GLU A 644 6.324 21.039 -32.622 1.00 25.00 O ATOM 0 H GLU A 644 6.292 19.258 -33.262 1.00 25.00 H new ATOM 0 HA GLU A 644 7.844 16.755 -33.318 1.00 25.00 H new ATOM 0 HB2 GLU A 644 8.468 18.314 -31.047 1.00 25.00 H new ATOM 0 HB3 GLU A 644 9.453 18.039 -32.470 1.00 25.00 H new ATOM 0 HG2 GLU A 644 9.337 20.414 -32.107 1.00 25.00 H new ATOM 0 HG3 GLU A 644 8.403 20.056 -33.546 1.00 25.00 H new ATOM 780 N TRP A 645 7.134 16.157 -30.750 1.00 25.00 N ATOM 781 CA TRP A 645 6.441 15.600 -29.593 1.00 25.00 C ATOM 782 C TRP A 645 6.055 16.691 -28.609 1.00 25.00 C ATOM 783 O TRP A 645 6.905 17.425 -28.112 1.00 25.00 O ATOM 784 CB TRP A 645 7.335 14.593 -28.871 1.00 25.00 C ATOM 785 CG TRP A 645 7.536 13.334 -29.642 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.623 12.970 -30.370 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.604 12.246 -29.778 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.452 11.750 -30.952 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.219 11.267 -30.612 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.301 12.007 -29.297 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.575 10.069 -30.963 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.654 10.800 -29.642 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.303 9.844 -30.474 1.00 25.00 C ATOM 0 H TRP A 645 8.112 15.879 -30.830 1.00 25.00 H new ATOM 0 HA TRP A 645 5.540 15.107 -29.959 1.00 25.00 H new ATOM 0 HB2 TRP A 645 8.304 15.051 -28.675 1.00 25.00 H new ATOM 0 HB3 TRP A 645 6.895 14.353 -27.903 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.513 13.573 -30.475 1.00 25.00 H new ATOM 0 HE1 TRP A 645 9.133 11.275 -31.545 1.00 25.00 H new ATOM 0 HE3 TRP A 645 4.805 12.736 -28.674 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 7.061 9.343 -31.598 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 3.659 10.601 -29.272 1.00 25.00 H new ATOM 0 HH2 TRP A 645 4.792 8.927 -30.727 1.00 25.00 H new ATOM 804 N LYS A 646 4.769 16.785 -28.311 1.00 25.00 N ATOM 805 CA LYS A 646 4.295 17.737 -27.311 1.00 25.00 C ATOM 806 C LYS A 646 4.767 17.190 -25.967 1.00 25.00 C ATOM 807 O LYS A 646 4.883 15.976 -25.808 1.00 25.00 O ATOM 808 CB LYS A 646 2.769 17.874 -27.370 1.00 25.00 C ATOM 809 CG LYS A 646 2.233 18.391 -28.720 1.00 25.00 C ATOM 810 CD LYS A 646 2.754 19.787 -29.094 1.00 25.00 C ATOM 811 CE LYS A 646 3.744 19.713 -30.258 1.00 25.00 C ATOM 812 NZ LYS A 646 4.265 21.057 -30.650 1.00 25.00 N ATOM 0 H LYS A 646 4.037 16.220 -28.742 1.00 25.00 H new ATOM 0 HA LYS A 646 4.688 18.739 -27.482 1.00 25.00 H new ATOM 0 HB2 LYS A 646 2.320 16.903 -27.161 1.00 25.00 H new ATOM 0 HB3 LYS A 646 2.445 18.551 -26.580 1.00 25.00 H new ATOM 0 HG2 LYS A 646 2.509 17.687 -29.505 1.00 25.00 H new ATOM 0 HG3 LYS A 646 1.144 18.416 -28.683 1.00 25.00 H new ATOM 0 HD2 LYS A 646 1.917 20.430 -29.365 1.00 25.00 H new ATOM 0 HD3 LYS A 646 3.238 20.241 -28.229 1.00 25.00 H new ATOM 0 HE2 LYS A 646 4.579 19.070 -29.981 1.00 25.00 H new ATOM 0 HE3 LYS A 646 3.257 19.251 -31.117 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 4.691 21.001 -31.597 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 3.483 21.743 -30.662 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 4.984 21.364 -29.964 1.00 25.00 H new ATOM 826 N PRO A 647 5.066 18.066 -24.992 1.00 25.00 N ATOM 827 CA PRO A 647 5.651 17.516 -23.761 1.00 25.00 C ATOM 828 C PRO A 647 4.724 16.609 -22.947 1.00 25.00 C ATOM 829 O PRO A 647 5.036 15.435 -22.742 1.00 25.00 O ATOM 830 CB PRO A 647 6.059 18.773 -22.983 1.00 25.00 C ATOM 831 CG PRO A 647 5.138 19.847 -23.480 1.00 25.00 C ATOM 832 CD PRO A 647 4.947 19.537 -24.941 1.00 25.00 C ATOM 0 HA PRO A 647 6.477 16.842 -23.987 1.00 25.00 H new ATOM 0 HB2 PRO A 647 5.951 18.625 -21.908 1.00 25.00 H new ATOM 0 HB3 PRO A 647 7.102 19.030 -23.166 1.00 25.00 H new ATOM 0 HG2 PRO A 647 4.189 19.834 -22.945 1.00 25.00 H new ATOM 0 HG3 PRO A 647 5.571 20.837 -23.338 1.00 25.00 H new ATOM 0 HD2 PRO A 647 3.975 19.875 -25.301 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.702 20.024 -25.558 1.00 25.00 H new ATOM 840 N GLU A 648 3.604 17.136 -22.476 1.00 25.00 N ATOM 841 CA GLU A 648 2.667 16.364 -21.671 1.00 25.00 C ATOM 842 C GLU A 648 1.320 17.069 -21.685 1.00 25.00 C ATOM 843 O GLU A 648 1.267 18.298 -21.609 1.00 25.00 O ATOM 844 CB GLU A 648 3.158 16.298 -20.216 1.00 25.00 C ATOM 845 CG GLU A 648 2.309 15.416 -19.303 1.00 25.00 C ATOM 846 CD GLU A 648 2.701 15.565 -17.849 1.00 25.00 C ATOM 847 OE1 GLU A 648 3.888 15.344 -17.523 1.00 25.00 O ATOM 848 OE2 GLU A 648 1.823 15.913 -17.030 1.00 25.00 O ATOM 0 H GLU A 648 3.320 18.102 -22.638 1.00 25.00 H new ATOM 0 HA GLU A 648 2.586 15.356 -22.079 1.00 25.00 H new ATOM 0 HB2 GLU A 648 4.183 15.928 -20.208 1.00 25.00 H new ATOM 0 HB3 GLU A 648 3.181 17.308 -19.807 1.00 25.00 H new ATOM 0 HG2 GLU A 648 1.257 15.675 -19.424 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.417 14.374 -19.603 1.00 25.00 H new ATOM 855 N ILE A 649 0.241 16.305 -21.750 1.00 25.00 N ATOM 856 CA ILE A 649 -1.088 16.848 -21.556 1.00 25.00 C ATOM 857 C ILE A 649 -1.509 16.244 -20.223 1.00 25.00 C ATOM 858 O ILE A 649 -1.652 15.026 -20.091 1.00 25.00 O ATOM 859 CB ILE A 649 -2.084 16.472 -22.687 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.500 16.814 -24.080 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.446 17.181 -22.464 1.00 25.00 C ATOM 862 CD1 ILE A 649 -1.187 18.315 -24.331 1.00 25.00 C ATOM 0 H ILE A 649 0.263 15.302 -21.937 1.00 25.00 H new ATOM 0 HA ILE A 649 -1.088 17.938 -21.570 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.249 15.395 -22.655 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.582 16.243 -24.219 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -2.204 16.477 -24.841 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -4.134 16.908 -23.264 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -3.864 16.873 -21.506 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -3.298 18.261 -22.465 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -0.783 18.439 -25.336 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -2.102 18.899 -24.233 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -0.456 18.661 -23.601 1.00 25.00 H new ATOM 874 N ARG A 650 -1.672 17.118 -19.246 1.00 25.00 N ATOM 875 CA ARG A 650 -2.076 16.762 -17.883 1.00 25.00 C ATOM 876 C ARG A 650 -3.472 16.262 -17.887 1.00 25.00 C ATOM 877 O ARG A 650 -4.237 16.801 -18.632 1.00 25.00 O ATOM 878 CB ARG A 650 -2.091 18.014 -16.986 1.00 25.00 C ATOM 879 CG ARG A 650 -3.311 18.999 -17.288 1.00 25.00 C ATOM 880 CD ARG A 650 -3.169 20.322 -16.557 1.00 25.00 C ATOM 881 NE ARG A 650 -4.278 21.233 -16.881 1.00 25.00 N ATOM 882 CZ ARG A 650 -4.377 22.493 -16.472 1.00 25.00 C ATOM 883 NH1 ARG A 650 -3.467 23.061 -15.715 1.00 25.00 N ATOM 884 NH2 ARG A 650 -5.409 23.200 -16.839 1.00 25.00 N ATOM 0 H ARG A 650 -1.526 18.119 -19.373 1.00 25.00 H new ATOM 0 HA ARG A 650 -1.373 16.014 -17.518 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -2.135 17.703 -15.942 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -1.155 18.557 -17.117 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -3.372 19.182 -18.361 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -4.245 18.520 -16.993 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -3.143 20.145 -15.482 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -2.221 20.789 -16.826 1.00 25.00 H new ATOM 0 HE ARG A 650 -5.030 20.868 -17.466 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -2.647 22.532 -15.420 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -3.580 24.031 -15.422 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -6.127 22.784 -17.432 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -5.498 24.169 -16.533 1.00 25.00 H new ATOM 898 N LEU A 651 -3.833 15.278 -17.081 1.00 25.00 N ATOM 899 CA LEU A 651 -5.251 15.079 -16.742 1.00 25.00 C ATOM 900 C LEU A 651 -5.409 14.476 -15.340 1.00 25.00 C ATOM 901 O LEU A 651 -4.547 13.718 -14.894 1.00 25.00 O ATOM 902 CB LEU A 651 -6.036 14.318 -17.829 1.00 25.00 C ATOM 903 CG LEU A 651 -6.884 15.172 -18.835 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.238 16.692 -18.392 1.00 25.00 C ATOM 905 CD2 LEU A 651 -6.207 15.217 -20.224 1.00 25.00 C ATOM 0 H LEU A 651 -3.189 14.613 -16.653 1.00 25.00 H new ATOM 0 HA LEU A 651 -5.713 16.066 -16.714 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.326 13.725 -18.405 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -6.707 13.617 -17.332 1.00 25.00 H new ATOM 0 HG LEU A 651 -7.837 14.644 -18.855 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -7.827 17.171 -19.174 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -7.811 16.677 -17.465 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -6.315 17.251 -18.239 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -6.813 15.815 -20.905 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -5.217 15.664 -20.132 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -6.113 14.204 -20.616 1.00 25.00 H new ATOM 917 N PRO A 652 -6.496 14.825 -14.615 1.00 25.00 N ATOM 918 CA PRO A 652 -6.656 14.281 -13.262 1.00 25.00 C ATOM 919 C PRO A 652 -7.198 12.863 -13.279 1.00 25.00 C ATOM 920 O PRO A 652 -7.703 12.408 -14.286 1.00 25.00 O ATOM 921 CB PRO A 652 -7.692 15.224 -12.647 1.00 25.00 C ATOM 922 CG PRO A 652 -8.574 15.550 -13.793 1.00 25.00 C ATOM 923 CD PRO A 652 -7.624 15.719 -14.956 1.00 25.00 C ATOM 0 HA PRO A 652 -5.712 14.227 -12.720 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -8.243 14.745 -11.838 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -7.227 16.117 -12.230 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.295 14.754 -13.980 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -9.145 16.460 -13.610 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -8.090 15.435 -15.899 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.298 16.754 -15.061 1.00 25.00 H new ATOM 931 N SER A 653 -7.117 12.174 -12.152 1.00 25.00 N ATOM 932 CA SER A 653 -7.600 10.799 -12.047 1.00 25.00 C ATOM 933 C SER A 653 -9.080 10.618 -12.388 1.00 25.00 C ATOM 934 O SER A 653 -9.498 9.536 -12.771 1.00 25.00 O ATOM 935 CB SER A 653 -7.378 10.332 -10.622 1.00 25.00 C ATOM 936 OG SER A 653 -7.934 11.260 -9.703 1.00 25.00 O ATOM 0 H SER A 653 -6.719 12.544 -11.289 1.00 25.00 H new ATOM 0 HA SER A 653 -7.043 10.215 -12.779 1.00 25.00 H new ATOM 0 HB2 SER A 653 -7.833 9.352 -10.479 1.00 25.00 H new ATOM 0 HB3 SER A 653 -6.311 10.218 -10.432 1.00 25.00 H new ATOM 0 HG SER A 653 -7.784 10.944 -8.788 1.00 25.00 H new ATOM 942 N GLY A 654 -9.865 11.676 -12.237 1.00 25.00 N ATOM 943 CA GLY A 654 -11.298 11.598 -12.481 1.00 25.00 C ATOM 944 C GLY A 654 -11.757 11.806 -13.915 1.00 25.00 C ATOM 945 O GLY A 654 -12.958 11.867 -14.161 1.00 25.00 O ATOM 0 H GLY A 654 -9.534 12.596 -11.947 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -11.647 10.620 -12.150 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -11.791 12.341 -11.854 1.00 25.00 H new ATOM 949 N SER A 655 -10.846 11.930 -14.871 1.00 25.00 N ATOM 950 CA SER A 655 -11.259 12.109 -16.268 1.00 25.00 C ATOM 951 C SER A 655 -11.552 10.739 -16.894 1.00 25.00 C ATOM 952 O SER A 655 -10.669 9.900 -16.993 1.00 25.00 O ATOM 953 CB SER A 655 -10.181 12.838 -17.063 1.00 25.00 C ATOM 954 OG SER A 655 -8.913 12.265 -16.826 1.00 25.00 O ATOM 0 H SER A 655 -9.838 11.912 -14.717 1.00 25.00 H new ATOM 0 HA SER A 655 -12.163 12.718 -16.294 1.00 25.00 H new ATOM 0 HB2 SER A 655 -10.413 12.792 -18.127 1.00 25.00 H new ATOM 0 HB3 SER A 655 -10.167 13.892 -16.785 1.00 25.00 H new ATOM 0 HG SER A 655 -8.592 12.536 -15.940 1.00 25.00 H new ATOM 960 N ASP A 656 -12.798 10.538 -17.306 1.00 25.00 N ATOM 961 CA ASP A 656 -13.260 9.274 -17.909 1.00 25.00 C ATOM 962 C ASP A 656 -12.713 9.073 -19.327 1.00 25.00 C ATOM 963 O ASP A 656 -12.513 7.952 -19.790 1.00 25.00 O ATOM 964 CB ASP A 656 -14.795 9.303 -17.960 1.00 25.00 C ATOM 965 CG ASP A 656 -15.388 8.126 -18.713 1.00 25.00 C ATOM 966 OD1 ASP A 656 -15.561 7.041 -18.118 1.00 25.00 O ATOM 967 OD2 ASP A 656 -15.706 8.304 -19.912 1.00 25.00 O ATOM 0 H ASP A 656 -13.528 11.247 -17.235 1.00 25.00 H new ATOM 0 HA ASP A 656 -12.895 8.447 -17.300 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -15.186 9.310 -16.943 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -15.119 10.230 -18.433 1.00 25.00 H new ATOM 972 N HIS A 657 -12.462 10.173 -20.013 1.00 25.00 N ATOM 973 CA HIS A 657 -11.915 10.142 -21.360 1.00 25.00 C ATOM 974 C HIS A 657 -11.171 11.449 -21.556 1.00 25.00 C ATOM 975 O HIS A 657 -11.299 12.371 -20.745 1.00 25.00 O ATOM 976 CB HIS A 657 -13.031 9.981 -22.399 1.00 25.00 C ATOM 977 CG HIS A 657 -14.167 10.936 -22.215 1.00 25.00 C ATOM 978 ND1 HIS A 657 -15.307 10.647 -21.509 1.00 25.00 N ATOM 979 CD2 HIS A 657 -14.344 12.207 -22.669 1.00 25.00 C ATOM 980 CE1 HIS A 657 -16.102 11.710 -21.548 1.00 25.00 C ATOM 981 NE2 HIS A 657 -15.564 12.695 -22.242 1.00 25.00 N ATOM 0 H HIS A 657 -12.631 11.113 -19.654 1.00 25.00 H new ATOM 0 HA HIS A 657 -11.245 9.292 -21.490 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.610 10.118 -23.395 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.414 8.962 -22.353 1.00 25.00 H new ATOM 0 HD1 HIS A 657 -15.509 9.767 -21.035 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -13.635 12.753 -23.274 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -17.069 11.762 -21.071 1.00 25.00 H new ATOM 989 N VAL A 658 -10.386 11.528 -22.618 1.00 25.00 N ATOM 990 CA VAL A 658 -9.599 12.721 -22.916 1.00 25.00 C ATOM 991 C VAL A 658 -9.776 13.054 -24.389 1.00 25.00 C ATOM 992 O VAL A 658 -9.667 12.185 -25.255 1.00 25.00 O ATOM 993 CB VAL A 658 -8.075 12.511 -22.561 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.605 11.087 -22.906 1.00 25.00 C ATOM 995 CG2 VAL A 658 -7.176 13.540 -23.280 1.00 25.00 C ATOM 0 H VAL A 658 -10.274 10.774 -23.296 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.951 13.551 -22.303 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.984 12.659 -21.485 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.551 10.979 -22.648 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -8.193 10.363 -22.342 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.737 10.909 -23.973 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -6.134 13.364 -23.011 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -7.295 13.436 -24.359 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -7.463 14.547 -22.979 1.00 25.00 H new ATOM 1005 N MET A 659 -10.040 14.320 -24.675 1.00 25.00 N ATOM 1006 CA MET A 659 -10.136 14.787 -26.047 1.00 25.00 C ATOM 1007 C MET A 659 -8.920 15.651 -26.315 1.00 25.00 C ATOM 1008 O MET A 659 -8.625 16.575 -25.560 1.00 25.00 O ATOM 1009 CB MET A 659 -11.422 15.575 -26.288 1.00 25.00 C ATOM 1010 CG MET A 659 -11.575 15.996 -27.739 1.00 25.00 C ATOM 1011 SD MET A 659 -13.279 16.270 -28.195 1.00 25.00 S ATOM 1012 CE MET A 659 -13.148 16.170 -29.983 1.00 25.00 C ATOM 0 H MET A 659 -10.192 15.043 -23.972 1.00 25.00 H new ATOM 0 HA MET A 659 -10.165 13.935 -26.727 1.00 25.00 H new ATOM 0 HB2 MET A 659 -12.278 14.967 -25.996 1.00 25.00 H new ATOM 0 HB3 MET A 659 -11.428 16.460 -25.652 1.00 25.00 H new ATOM 0 HG2 MET A 659 -11.005 16.909 -27.911 1.00 25.00 H new ATOM 0 HG3 MET A 659 -11.149 15.228 -28.384 1.00 25.00 H new ATOM 0 HE1 MET A 659 -14.083 15.792 -30.396 1.00 25.00 H new ATOM 0 HE2 MET A 659 -12.947 17.161 -30.389 1.00 25.00 H new ATOM 0 HE3 MET A 659 -12.334 15.496 -30.251 1.00 25.00 H new ATOM 1022 N LEU A 660 -8.214 15.339 -27.385 1.00 25.00 N ATOM 1023 CA LEU A 660 -7.033 16.086 -27.780 1.00 25.00 C ATOM 1024 C LEU A 660 -7.435 16.986 -28.919 1.00 25.00 C ATOM 1025 O LEU A 660 -8.306 16.641 -29.714 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.922 15.148 -28.248 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.339 14.197 -27.196 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.343 13.284 -27.883 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.650 14.963 -26.058 1.00 25.00 C ATOM 0 H LEU A 660 -8.442 14.562 -28.005 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.654 16.656 -26.932 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -6.307 14.549 -29.073 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -5.109 15.755 -28.647 1.00 25.00 H new ATOM 0 HG LEU A 660 -6.150 13.620 -26.751 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.915 12.598 -27.153 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.849 12.715 -28.663 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.548 13.882 -28.328 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -4.250 14.255 -25.333 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.837 15.565 -26.464 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -5.373 15.614 -25.568 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.783 18.135 -28.997 1.00 25.00 N ATOM 1042 CA LYS A 661 -7.012 19.121 -30.045 1.00 25.00 C ATOM 1043 C LYS A 661 -5.626 19.550 -30.472 1.00 25.00 C ATOM 1044 O LYS A 661 -4.649 19.001 -29.967 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.835 20.309 -29.525 1.00 25.00 C ATOM 1046 CG LYS A 661 -9.262 19.922 -29.150 1.00 25.00 C ATOM 1047 CD LYS A 661 -10.251 21.049 -29.422 1.00 25.00 C ATOM 1048 CE LYS A 661 -11.669 20.494 -29.447 1.00 25.00 C ATOM 1049 NZ LYS A 661 -12.689 21.537 -29.811 1.00 25.00 N ATOM 0 H LYS A 661 -6.069 18.415 -28.325 1.00 25.00 H new ATOM 0 HA LYS A 661 -7.588 18.713 -30.876 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -7.338 20.735 -28.653 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -7.863 21.087 -30.288 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -9.557 19.037 -29.714 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -9.299 19.654 -28.094 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -10.164 21.816 -28.652 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -10.020 21.526 -30.374 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -11.722 19.673 -30.162 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -11.911 20.080 -28.468 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -13.608 21.080 -29.980 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -12.780 22.220 -29.032 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -12.386 22.033 -30.673 1.00 25.00 H new ATOM 1063 N SER A 662 -5.544 20.519 -31.375 1.00 25.00 N ATOM 1064 CA SER A 662 -4.258 21.044 -31.882 1.00 25.00 C ATOM 1065 C SER A 662 -3.332 19.912 -32.349 1.00 25.00 C ATOM 1066 O SER A 662 -2.234 19.715 -31.829 1.00 25.00 O ATOM 1067 CB SER A 662 -3.569 21.962 -30.852 1.00 25.00 C ATOM 1068 OG SER A 662 -3.509 21.391 -29.556 1.00 25.00 O ATOM 0 H SER A 662 -6.361 20.971 -31.784 1.00 25.00 H new ATOM 0 HA SER A 662 -4.481 21.658 -32.755 1.00 25.00 H new ATOM 0 HB2 SER A 662 -2.558 22.186 -31.192 1.00 25.00 H new ATOM 0 HB3 SER A 662 -4.105 22.910 -30.801 1.00 25.00 H new ATOM 0 HG SER A 662 -3.566 20.415 -29.626 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.818 19.175 -33.337 1.00 25.00 N ATOM 1075 CA LEU A 663 -3.120 18.045 -33.936 1.00 25.00 C ATOM 1076 C LEU A 663 -3.414 18.119 -35.434 1.00 25.00 C ATOM 1077 O LEU A 663 -4.358 18.798 -35.835 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.627 16.730 -33.315 1.00 25.00 C ATOM 1079 CG LEU A 663 -5.156 16.514 -33.200 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.804 16.066 -34.511 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -5.418 15.476 -32.119 1.00 25.00 C ATOM 0 H LEU A 663 -4.732 19.350 -33.755 1.00 25.00 H new ATOM 0 HA LEU A 663 -2.045 18.077 -33.758 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -3.218 15.907 -33.900 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -3.204 16.650 -32.314 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.606 17.474 -32.946 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.875 15.933 -34.360 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.636 16.823 -35.277 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -5.363 15.122 -34.831 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -6.491 15.312 -32.025 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.930 14.539 -32.388 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -5.021 15.832 -31.169 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.623 17.448 -36.258 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.849 17.486 -37.705 1.00 25.00 C ATOM 1095 C ASP A 664 -4.110 16.710 -38.036 1.00 25.00 C ATOM 1096 O ASP A 664 -4.318 15.624 -37.531 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.698 16.828 -38.478 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.453 17.699 -38.553 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.520 18.888 -38.202 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.611 17.176 -38.962 1.00 25.00 O ATOM 0 H ASP A 664 -1.831 16.878 -35.962 1.00 25.00 H new ATOM 0 HA ASP A 664 -2.928 18.534 -37.993 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.443 15.881 -38.002 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -2.033 16.596 -39.489 1.00 25.00 H new ATOM 1105 N TRP A 665 -4.949 17.255 -38.902 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.130 16.525 -39.364 1.00 25.00 C ATOM 1107 C TRP A 665 -5.934 16.087 -40.808 1.00 25.00 C ATOM 1108 O TRP A 665 -6.470 15.077 -41.226 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.385 17.391 -39.235 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.219 18.772 -39.801 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.765 19.870 -39.154 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.511 19.215 -41.143 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.753 20.965 -39.961 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.207 20.608 -41.200 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -7.989 18.579 -42.304 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.380 21.372 -42.371 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.165 19.341 -43.488 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -7.858 20.734 -43.504 1.00 25.00 C ATOM 0 H TRP A 665 -4.841 18.189 -39.298 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.262 15.641 -38.740 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.213 16.896 -39.743 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.657 17.468 -38.182 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.450 19.876 -38.121 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.454 21.901 -39.686 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.219 17.524 -42.294 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -7.146 22.426 -42.385 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -8.534 18.863 -44.383 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.000 21.300 -44.413 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.148 16.853 -41.555 1.00 25.00 N ATOM 1130 CA ASN A 666 -4.900 16.589 -42.978 1.00 25.00 C ATOM 1131 C ASN A 666 -3.631 15.764 -43.176 1.00 25.00 C ATOM 1132 O ASN A 666 -3.149 15.595 -44.291 1.00 25.00 O ATOM 1133 CB ASN A 666 -4.740 17.923 -43.719 1.00 25.00 C ATOM 1134 CG ASN A 666 -4.909 17.783 -45.210 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -5.891 17.249 -45.688 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -3.955 18.275 -45.949 1.00 25.00 N ATOM 0 H ASN A 666 -4.662 17.675 -41.197 1.00 25.00 H new ATOM 0 HA ASN A 666 -5.747 16.027 -43.372 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.473 18.635 -43.340 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -3.754 18.336 -43.506 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -4.017 18.219 -46.966 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -3.146 18.716 -45.511 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.082 15.270 -42.078 1.00 25.00 N ATOM 1144 CA ALA A 667 -1.839 14.518 -42.104 1.00 25.00 C ATOM 1145 C ALA A 667 -1.902 13.542 -40.942 1.00 25.00 C ATOM 1146 O ALA A 667 -2.787 13.636 -40.096 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.623 15.457 -41.976 1.00 25.00 C ATOM 0 H ALA A 667 -3.484 15.379 -41.147 1.00 25.00 H new ATOM 0 HA ALA A 667 -1.721 13.989 -43.050 1.00 25.00 H new ATOM 0 HB1 ALA A 667 0.295 14.869 -41.998 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -0.621 16.165 -42.805 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.682 16.002 -41.034 1.00 25.00 H new ATOM 1153 N GLU A 668 -0.977 12.602 -40.927 1.00 25.00 N ATOM 1154 CA GLU A 668 -0.967 11.536 -39.939 1.00 25.00 C ATOM 1155 C GLU A 668 -0.318 11.976 -38.629 1.00 25.00 C ATOM 1156 O GLU A 668 0.671 12.707 -38.632 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.211 10.351 -40.551 1.00 25.00 C ATOM 1158 CG GLU A 668 -0.308 9.074 -39.766 1.00 25.00 C ATOM 1159 CD GLU A 668 -0.185 7.844 -40.659 1.00 25.00 C ATOM 1160 OE1 GLU A 668 0.826 7.713 -41.369 1.00 25.00 O ATOM 1161 OE2 GLU A 668 -1.124 7.005 -40.657 1.00 25.00 O ATOM 0 H GLU A 668 -0.211 12.554 -41.598 1.00 25.00 H new ATOM 0 HA GLU A 668 -1.991 11.257 -39.691 1.00 25.00 H new ATOM 0 HB2 GLU A 668 -0.593 10.174 -41.556 1.00 25.00 H new ATOM 0 HB3 GLU A 668 0.840 10.621 -40.652 1.00 25.00 H new ATOM 0 HG2 GLU A 668 0.477 9.053 -39.010 1.00 25.00 H new ATOM 0 HG3 GLU A 668 -1.261 9.045 -39.238 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.862 11.523 -37.512 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.296 11.828 -36.205 1.00 25.00 C ATOM 1170 C TYR A 669 -0.406 10.615 -35.303 1.00 25.00 C ATOM 1171 O TYR A 669 -1.244 9.739 -35.524 1.00 25.00 O ATOM 1172 CB TYR A 669 -0.997 13.033 -35.571 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.454 12.827 -35.272 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.423 13.075 -36.254 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.879 12.394 -34.000 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.791 12.916 -35.977 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.256 12.231 -33.715 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.197 12.504 -34.710 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.529 12.381 -34.448 1.00 25.00 O ATOM 0 H TYR A 669 -1.699 10.940 -37.482 1.00 25.00 H new ATOM 0 HA TYR A 669 0.756 12.083 -36.333 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.483 13.289 -34.645 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.895 13.888 -36.239 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.113 13.393 -37.238 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.146 12.184 -33.235 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.525 13.113 -36.744 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.575 11.899 -32.738 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.914 11.692 -35.029 1.00 25.00 H new ATOM 1189 N GLU A 670 0.451 10.570 -34.297 1.00 25.00 N ATOM 1190 CA GLU A 670 0.527 9.450 -33.367 1.00 25.00 C ATOM 1191 C GLU A 670 0.318 9.960 -31.943 1.00 25.00 C ATOM 1192 O GLU A 670 0.760 11.059 -31.592 1.00 25.00 O ATOM 1193 CB GLU A 670 1.893 8.755 -33.509 1.00 25.00 C ATOM 1194 CG GLU A 670 3.098 9.677 -33.268 1.00 25.00 C ATOM 1195 CD GLU A 670 4.418 9.035 -33.669 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.740 7.946 -33.145 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.142 9.631 -34.509 1.00 25.00 O ATOM 0 H GLU A 670 1.120 11.314 -34.099 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.253 8.723 -33.593 1.00 25.00 H new ATOM 0 HB2 GLU A 670 1.940 7.924 -32.806 1.00 25.00 H new ATOM 0 HB3 GLU A 670 1.969 8.330 -34.510 1.00 25.00 H new ATOM 0 HG2 GLU A 670 2.962 10.600 -33.831 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.137 9.949 -32.213 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.370 9.170 -31.132 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.689 9.544 -29.751 1.00 25.00 C ATOM 1206 C VAL A 671 -0.283 8.430 -28.801 1.00 25.00 C ATOM 1207 O VAL A 671 -0.597 7.279 -29.054 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.227 9.754 -29.588 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.589 10.136 -28.140 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.745 10.828 -30.558 1.00 25.00 C ATOM 0 H VAL A 671 -0.724 8.254 -31.406 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.150 10.463 -29.522 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.710 8.806 -29.827 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.667 10.275 -28.059 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.274 9.341 -27.464 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -2.082 11.063 -27.871 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.819 10.953 -30.422 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.241 11.773 -30.357 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.542 10.520 -31.584 1.00 25.00 H new ATOM 1220 N TYR A 672 0.387 8.781 -27.711 1.00 25.00 N ATOM 1221 CA TYR A 672 0.760 7.842 -26.650 1.00 25.00 C ATOM 1222 C TYR A 672 0.150 8.357 -25.362 1.00 25.00 C ATOM 1223 O TYR A 672 0.115 9.561 -25.127 1.00 25.00 O ATOM 1224 CB TYR A 672 2.279 7.778 -26.477 1.00 25.00 C ATOM 1225 CG TYR A 672 2.954 6.962 -27.542 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.410 5.657 -27.267 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.130 7.480 -28.835 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.017 4.872 -28.279 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.742 6.698 -29.855 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.181 5.404 -29.566 1.00 25.00 C ATOM 1231 OH TYR A 672 4.765 4.656 -30.554 1.00 25.00 O ATOM 0 H TYR A 672 0.693 9.738 -27.532 1.00 25.00 H new ATOM 0 HA TYR A 672 0.403 6.844 -26.904 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.684 8.790 -26.490 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.511 7.354 -25.500 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.295 5.250 -26.273 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.797 8.483 -29.058 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.352 3.869 -28.060 1.00 25.00 H new ATOM 0 HE2 TYR A 672 3.866 7.104 -30.848 1.00 25.00 H new ATOM 0 HH TYR A 672 4.798 5.178 -31.383 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.329 7.461 -24.520 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.943 7.856 -23.258 1.00 25.00 C ATOM 1243 C VAL A 673 -0.576 6.824 -22.198 1.00 25.00 C ATOM 1244 O VAL A 673 -0.524 5.619 -22.480 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.499 8.013 -23.435 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -3.088 6.837 -24.237 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.217 8.204 -22.080 1.00 25.00 C ATOM 0 H VAL A 673 -0.307 6.454 -24.683 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.569 8.827 -22.934 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.673 8.922 -24.011 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -4.164 6.972 -24.344 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.627 6.803 -25.224 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.890 5.903 -23.711 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.289 8.308 -22.248 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -3.032 7.338 -21.445 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.837 9.101 -21.590 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.311 7.301 -20.989 1.00 25.00 N ATOM 1258 CA VAL A 674 -0.006 6.446 -19.845 1.00 25.00 C ATOM 1259 C VAL A 674 -0.758 6.982 -18.635 1.00 25.00 C ATOM 1260 O VAL A 674 -1.164 8.151 -18.599 1.00 25.00 O ATOM 1261 CB VAL A 674 1.529 6.411 -19.507 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.310 5.734 -20.620 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.086 7.819 -19.276 1.00 25.00 C ATOM 0 H VAL A 674 -0.301 8.297 -20.771 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.310 5.430 -20.097 1.00 25.00 H new ATOM 0 HB VAL A 674 1.643 5.838 -18.587 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.370 5.721 -20.365 1.00 25.00 H new ATOM 0 HG12 VAL A 674 1.954 4.711 -20.744 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.168 6.283 -21.551 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.149 7.756 -19.045 1.00 25.00 H new ATOM 0 HG22 VAL A 674 1.945 8.418 -20.176 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.561 8.286 -18.443 1.00 25.00 H new ATOM 1273 N ALA A 675 -0.930 6.130 -17.640 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.562 6.502 -16.388 1.00 25.00 C ATOM 1275 C ALA A 675 -0.483 6.450 -15.325 1.00 25.00 C ATOM 1276 O ALA A 675 0.482 5.704 -15.455 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.685 5.541 -16.062 1.00 25.00 C ATOM 0 H ALA A 675 -0.633 5.155 -17.679 1.00 25.00 H new ATOM 0 HA ALA A 675 -1.999 7.499 -16.446 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -3.151 5.832 -15.120 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.429 5.567 -16.858 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.285 4.531 -15.973 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.651 7.228 -14.277 1.00 25.00 N ATOM 1284 CA GLU A 676 0.276 7.239 -13.159 1.00 25.00 C ATOM 1285 C GLU A 676 -0.542 7.057 -11.901 1.00 25.00 C ATOM 1286 O GLU A 676 -1.352 7.915 -11.577 1.00 25.00 O ATOM 1287 CB GLU A 676 0.999 8.586 -13.119 1.00 25.00 C ATOM 1288 CG GLU A 676 2.052 8.698 -12.055 1.00 25.00 C ATOM 1289 CD GLU A 676 2.614 10.098 -11.952 1.00 25.00 C ATOM 1290 OE1 GLU A 676 3.477 10.443 -12.787 1.00 25.00 O ATOM 1291 OE2 GLU A 676 2.211 10.850 -11.041 1.00 25.00 O ATOM 0 H GLU A 676 -1.435 7.873 -14.173 1.00 25.00 H new ATOM 0 HA GLU A 676 1.019 6.447 -13.252 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.461 8.764 -14.090 1.00 25.00 H new ATOM 0 HB3 GLU A 676 0.262 9.375 -12.967 1.00 25.00 H new ATOM 0 HG2 GLU A 676 1.627 8.407 -11.094 1.00 25.00 H new ATOM 0 HG3 GLU A 676 2.860 7.999 -12.271 1.00 25.00 H new ATOM 1298 N ASN A 677 -0.348 5.964 -11.181 1.00 25.00 N ATOM 1299 CA ASN A 677 -1.039 5.789 -9.909 1.00 25.00 C ATOM 1300 C ASN A 677 -0.016 6.171 -8.848 1.00 25.00 C ATOM 1301 O ASN A 677 1.102 6.550 -9.172 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.706 4.395 -9.736 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.737 3.270 -9.460 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.446 3.462 -9.312 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.261 2.079 -9.378 1.00 25.00 N ATOM 0 H ASN A 677 0.269 5.197 -11.446 1.00 25.00 H new ATOM 0 HA ASN A 677 -1.916 6.432 -9.830 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.424 4.448 -8.918 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -2.269 4.160 -10.640 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -0.667 1.273 -9.183 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.265 1.953 -9.509 1.00 25.00 H new ATOM 1312 N GLN A 678 -0.394 6.103 -7.587 1.00 25.00 N ATOM 1313 CA GLN A 678 0.497 6.543 -6.519 1.00 25.00 C ATOM 1314 C GLN A 678 1.707 5.609 -6.258 1.00 25.00 C ATOM 1315 O GLN A 678 2.518 5.869 -5.379 1.00 25.00 O ATOM 1316 CB GLN A 678 -0.365 6.830 -5.282 1.00 25.00 C ATOM 1317 CG GLN A 678 0.315 7.668 -4.198 1.00 25.00 C ATOM 1318 CD GLN A 678 -0.662 8.146 -3.154 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -1.612 8.844 -3.462 1.00 25.00 O ATOM 1320 NE2 GLN A 678 -0.431 7.785 -1.920 1.00 25.00 N ATOM 0 H GLN A 678 -1.299 5.753 -7.274 1.00 25.00 H new ATOM 0 HA GLN A 678 0.998 7.460 -6.829 1.00 25.00 H new ATOM 0 HB2 GLN A 678 -1.272 7.344 -5.601 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -0.674 5.880 -4.845 1.00 25.00 H new ATOM 0 HG2 GLN A 678 1.096 7.076 -3.720 1.00 25.00 H new ATOM 0 HG3 GLN A 678 0.803 8.527 -4.658 1.00 25.00 H new ATOM 0 HE21 GLN A 678 0.375 7.200 -1.702 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -1.057 8.088 -1.174 1.00 25.00 H new ATOM 1329 N GLN A 679 1.835 4.544 -7.043 1.00 25.00 N ATOM 1330 CA GLN A 679 2.960 3.613 -6.920 1.00 25.00 C ATOM 1331 C GLN A 679 3.847 3.552 -8.176 1.00 25.00 C ATOM 1332 O GLN A 679 5.053 3.364 -8.064 1.00 25.00 O ATOM 1333 CB GLN A 679 2.436 2.210 -6.623 1.00 25.00 C ATOM 1334 CG GLN A 679 2.612 1.786 -5.169 1.00 25.00 C ATOM 1335 CD GLN A 679 1.717 2.531 -4.172 1.00 25.00 C ATOM 1336 OE1 GLN A 679 0.525 2.881 -4.580 1.00 25.00 O flip ATOM 1337 NE2 GLN A 679 2.110 2.769 -3.037 1.00 25.00 N flip ATOM 0 H GLN A 679 1.170 4.300 -7.777 1.00 25.00 H new ATOM 0 HA GLN A 679 3.578 3.987 -6.104 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.378 2.165 -6.880 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.951 1.496 -7.266 1.00 25.00 H new ATOM 0 HG2 GLN A 679 2.411 0.718 -5.089 1.00 25.00 H new ATOM 0 HG3 GLN A 679 3.653 1.936 -4.884 1.00 25.00 H new ATOM 0 HE21 GLN A 679 3.046 2.482 -2.751 1.00 25.00 H new ATOM 0 HE22 GLN A 679 1.501 3.254 -2.378 1.00 25.00 H new ATOM 1346 N GLY A 680 3.261 3.699 -9.359 1.00 25.00 N ATOM 1347 CA GLY A 680 4.025 3.613 -10.594 1.00 25.00 C ATOM 1348 C GLY A 680 3.221 4.002 -11.823 1.00 25.00 C ATOM 1349 O GLY A 680 2.088 4.473 -11.713 1.00 25.00 O ATOM 0 H GLY A 680 2.265 3.877 -9.487 1.00 25.00 H new ATOM 0 HA2 GLY A 680 4.899 4.261 -10.519 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.393 2.594 -10.716 1.00 25.00 H new ATOM 1353 N LYS A 681 3.805 3.818 -13.003 1.00 25.00 N ATOM 1354 CA LYS A 681 3.152 4.185 -14.265 1.00 25.00 C ATOM 1355 C LYS A 681 2.687 2.976 -15.056 1.00 25.00 C ATOM 1356 O LYS A 681 3.203 1.881 -14.894 1.00 25.00 O ATOM 1357 CB LYS A 681 4.105 4.995 -15.135 1.00 25.00 C ATOM 1358 CG LYS A 681 4.285 6.430 -14.656 1.00 25.00 C ATOM 1359 CD LYS A 681 3.910 7.437 -15.744 1.00 25.00 C ATOM 1360 CE LYS A 681 5.008 8.458 -15.941 1.00 25.00 C ATOM 1361 NZ LYS A 681 4.941 9.585 -14.947 1.00 25.00 N ATOM 0 H LYS A 681 4.735 3.415 -13.117 1.00 25.00 H new ATOM 0 HA LYS A 681 2.276 4.776 -13.999 1.00 25.00 H new ATOM 0 HB2 LYS A 681 5.077 4.501 -15.155 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.732 5.005 -16.159 1.00 25.00 H new ATOM 0 HG2 LYS A 681 3.668 6.600 -13.774 1.00 25.00 H new ATOM 0 HG3 LYS A 681 5.321 6.587 -14.356 1.00 25.00 H new ATOM 0 HD2 LYS A 681 3.724 6.912 -16.681 1.00 25.00 H new ATOM 0 HD3 LYS A 681 2.983 7.942 -15.473 1.00 25.00 H new ATOM 0 HE2 LYS A 681 5.976 7.964 -15.859 1.00 25.00 H new ATOM 0 HE3 LYS A 681 4.943 8.865 -16.950 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 4.905 10.493 -15.453 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 4.088 9.481 -14.361 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 5.784 9.561 -14.338 1.00 25.00 H new ATOM 1375 N SER A 682 1.700 3.200 -15.906 1.00 25.00 N ATOM 1376 CA SER A 682 1.101 2.140 -16.710 1.00 25.00 C ATOM 1377 C SER A 682 1.888 1.870 -17.977 1.00 25.00 C ATOM 1378 O SER A 682 2.782 2.634 -18.348 1.00 25.00 O ATOM 1379 CB SER A 682 -0.316 2.546 -17.123 1.00 25.00 C ATOM 1380 OG SER A 682 -0.303 3.378 -18.277 1.00 25.00 O ATOM 0 H SER A 682 1.289 4.120 -16.061 1.00 25.00 H new ATOM 0 HA SER A 682 1.096 1.239 -16.096 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.908 1.653 -17.323 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.800 3.071 -16.300 1.00 25.00 H new ATOM 0 HG SER A 682 -0.244 2.821 -19.081 1.00 25.00 H new ATOM 1386 N LYS A 683 1.529 0.795 -18.667 1.00 25.00 N ATOM 1387 CA LYS A 683 2.119 0.508 -19.968 1.00 25.00 C ATOM 1388 C LYS A 683 1.520 1.533 -20.921 1.00 25.00 C ATOM 1389 O LYS A 683 0.347 1.876 -20.791 1.00 25.00 O ATOM 1390 CB LYS A 683 1.736 -0.891 -20.444 1.00 25.00 C ATOM 1391 CG LYS A 683 2.705 -1.468 -21.484 1.00 25.00 C ATOM 1392 CD LYS A 683 2.065 -2.574 -22.323 1.00 25.00 C ATOM 1393 CE LYS A 683 1.100 -1.972 -23.347 1.00 25.00 C ATOM 1394 NZ LYS A 683 0.492 -2.995 -24.264 1.00 25.00 N ATOM 0 H LYS A 683 0.839 0.113 -18.351 1.00 25.00 H new ATOM 0 HA LYS A 683 3.207 0.556 -19.921 1.00 25.00 H new ATOM 0 HB2 LYS A 683 1.696 -1.561 -19.585 1.00 25.00 H new ATOM 0 HB3 LYS A 683 0.733 -0.860 -20.871 1.00 25.00 H new ATOM 0 HG2 LYS A 683 3.047 -0.669 -22.141 1.00 25.00 H new ATOM 0 HG3 LYS A 683 3.585 -1.863 -20.977 1.00 25.00 H new ATOM 0 HD2 LYS A 683 2.839 -3.146 -22.835 1.00 25.00 H new ATOM 0 HD3 LYS A 683 1.531 -3.269 -21.675 1.00 25.00 H new ATOM 0 HE2 LYS A 683 0.303 -1.447 -22.820 1.00 25.00 H new ATOM 0 HE3 LYS A 683 1.631 -1.230 -23.943 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 -0.151 -2.524 -24.932 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 1.246 -3.480 -24.792 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 -0.041 -3.691 -23.704 1.00 25.00 H new ATOM 1408 N ALA A 684 2.301 2.009 -21.873 1.00 25.00 N ATOM 1409 CA ALA A 684 1.793 2.953 -22.857 1.00 25.00 C ATOM 1410 C ALA A 684 0.871 2.245 -23.842 1.00 25.00 C ATOM 1411 O ALA A 684 1.082 1.076 -24.174 1.00 25.00 O ATOM 1412 CB ALA A 684 2.964 3.598 -23.612 1.00 25.00 C ATOM 0 H ALA A 684 3.284 1.761 -21.988 1.00 25.00 H new ATOM 0 HA ALA A 684 1.227 3.728 -22.341 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.578 4.304 -24.347 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.606 4.124 -22.906 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.540 2.824 -24.119 1.00 25.00 H new ATOM 1418 N ALA A 685 -0.119 2.971 -24.328 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.972 2.498 -25.405 1.00 25.00 C ATOM 1420 C ALA A 685 -0.839 3.600 -26.441 1.00 25.00 C ATOM 1421 O ALA A 685 -0.714 4.772 -26.072 1.00 25.00 O ATOM 1422 CB ALA A 685 -2.419 2.330 -24.947 1.00 25.00 C ATOM 0 H ALA A 685 -0.355 3.904 -23.989 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.687 1.515 -25.780 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -3.025 1.975 -25.780 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -2.461 1.606 -24.133 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.805 3.289 -24.600 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.838 3.232 -27.710 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.655 4.192 -28.783 1.00 25.00 C ATOM 1430 C HIS A 686 -1.520 3.905 -29.990 1.00 25.00 C ATOM 1431 O HIS A 686 -1.827 2.749 -30.282 1.00 25.00 O ATOM 1432 CB HIS A 686 0.808 4.211 -29.205 1.00 25.00 C ATOM 1433 CG HIS A 686 1.368 2.856 -29.504 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.302 2.239 -30.729 1.00 25.00 N ATOM 1435 CD2 HIS A 686 2.025 1.974 -28.702 1.00 25.00 C ATOM 1436 CE1 HIS A 686 1.892 1.051 -30.628 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.346 0.834 -29.410 1.00 25.00 N ATOM 0 H HIS A 686 -0.963 2.269 -28.023 1.00 25.00 H new ATOM 0 HA HIS A 686 -0.959 5.164 -28.394 1.00 25.00 H new ATOM 0 HB2 HIS A 686 0.913 4.840 -30.089 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.399 4.671 -28.413 1.00 25.00 H new ATOM 0 HD2 HIS A 686 2.261 2.142 -27.662 1.00 25.00 H new ATOM 0 HE1 HIS A 686 1.987 0.350 -31.444 1.00 25.00 H new ATOM 0 HE2 HIS A 686 2.829 0.004 -29.066 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.907 4.960 -30.691 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.697 4.823 -31.907 1.00 25.00 C ATOM 1447 C PHE A 687 -2.337 5.930 -32.879 1.00 25.00 C ATOM 1448 O PHE A 687 -1.807 6.970 -32.480 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.197 4.788 -31.604 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.844 6.141 -31.463 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.684 6.908 -30.291 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.653 6.645 -32.502 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.351 8.158 -30.150 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.314 7.881 -32.370 1.00 25.00 C ATOM 1455 CZ PHE A 687 -6.173 8.635 -31.190 1.00 25.00 C ATOM 0 H PHE A 687 -1.686 5.923 -30.438 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.458 3.868 -32.374 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.702 4.241 -32.400 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.354 4.228 -30.682 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -4.051 6.545 -29.495 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.767 6.075 -33.412 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.227 8.739 -29.248 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.930 8.251 -33.176 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.693 9.575 -31.082 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.603 5.680 -34.152 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.240 6.583 -35.235 1.00 25.00 C ATOM 1467 C VAL A 688 -3.520 6.919 -36.003 1.00 25.00 C ATOM 1468 O VAL A 688 -4.355 6.038 -36.212 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.195 5.887 -36.163 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.780 6.786 -37.298 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.057 5.482 -35.353 1.00 25.00 C ATOM 0 H VAL A 688 -3.082 4.836 -34.466 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.789 7.499 -34.853 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.669 4.998 -36.579 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.052 6.270 -37.924 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.654 7.044 -37.896 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.333 7.696 -36.897 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.777 4.998 -36.013 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.509 6.371 -34.913 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.230 4.791 -34.560 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.690 8.175 -36.401 1.00 25.00 N ATOM 1482 CA PHE A 689 -4.914 8.611 -37.083 1.00 25.00 C ATOM 1483 C PHE A 689 -4.641 9.756 -38.070 1.00 25.00 C ATOM 1484 O PHE A 689 -3.661 10.481 -37.929 1.00 25.00 O ATOM 1485 CB PHE A 689 -5.921 9.058 -36.013 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.285 9.424 -36.553 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.606 10.764 -36.846 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.263 8.434 -36.758 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -8.883 11.123 -37.316 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.552 8.783 -37.235 1.00 25.00 C ATOM 1491 CZ PHE A 689 -9.859 10.139 -37.507 1.00 25.00 C ATOM 0 H PHE A 689 -2.999 8.913 -36.265 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.314 7.781 -37.666 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -6.036 8.257 -35.282 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.511 9.917 -35.482 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -6.858 11.530 -36.707 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -8.030 7.400 -36.550 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.109 12.157 -37.529 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.298 8.017 -37.390 1.00 25.00 H new ATOM 0 HZ PHE A 689 -10.842 10.412 -37.860 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.523 9.897 -39.058 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.506 10.982 -40.059 1.00 25.00 C ATOM 1503 C ARG A 690 -6.917 10.982 -40.622 1.00 25.00 C ATOM 1504 O ARG A 690 -7.599 9.962 -40.517 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.509 10.765 -41.216 1.00 25.00 C ATOM 1506 CG ARG A 690 -3.748 9.435 -41.256 1.00 25.00 C ATOM 1507 CD ARG A 690 -4.583 8.231 -41.655 1.00 25.00 C ATOM 1508 NE ARG A 690 -3.757 7.028 -41.505 1.00 25.00 N ATOM 1509 CZ ARG A 690 -4.145 5.783 -41.712 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -5.359 5.475 -42.099 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -3.276 4.834 -41.519 1.00 25.00 N ATOM 0 H ARG A 690 -6.295 9.245 -39.195 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.193 11.914 -39.588 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -5.055 10.868 -42.154 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -3.776 11.571 -41.184 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -2.917 9.530 -41.955 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -3.317 9.250 -40.272 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -5.473 8.161 -41.029 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -4.925 8.331 -42.685 1.00 25.00 H new ATOM 0 HE ARG A 690 -2.790 7.167 -41.213 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -6.048 6.212 -42.252 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -5.615 4.499 -42.247 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -2.329 5.063 -41.217 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -3.542 3.861 -41.669 1.00 25.00 H new ATOM 1525 N THR A 691 -7.358 12.087 -41.203 1.00 25.00 N ATOM 1526 CA THR A 691 -8.715 12.182 -41.753 1.00 25.00 C ATOM 1527 C THR A 691 -8.721 13.169 -42.941 1.00 25.00 C ATOM 1528 O THR A 691 -7.665 13.617 -43.369 1.00 25.00 O ATOM 1529 CB THR A 691 -9.709 12.599 -40.616 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.052 12.642 -41.110 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.343 13.945 -40.011 1.00 25.00 C ATOM 0 H THR A 691 -6.801 12.935 -41.309 1.00 25.00 H new ATOM 0 HA THR A 691 -9.045 11.215 -42.134 1.00 25.00 H new ATOM 0 HB THR A 691 -9.636 11.844 -39.833 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.659 12.902 -40.386 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.057 14.198 -39.227 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.341 13.892 -39.586 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.369 14.711 -40.786 1.00 25.00 H new ATOM 1539 N HIS A 692 -9.908 13.478 -43.467 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.103 14.432 -44.579 1.00 25.00 C ATOM 1541 C HIS A 692 -9.233 14.157 -45.814 1.00 25.00 C ATOM 1542 O HIS A 692 -8.776 15.076 -46.488 1.00 25.00 O ATOM 1543 CB HIS A 692 -9.885 15.874 -44.093 1.00 25.00 C ATOM 1544 CG HIS A 692 -10.837 16.295 -43.016 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -10.618 16.602 -41.708 1.00 25.00 N flip ATOM 1546 CD2 HIS A 692 -12.188 16.464 -43.196 1.00 25.00 C flip ATOM 1547 CE1 HIS A 692 -11.804 16.936 -41.090 1.00 25.00 C flip ATOM 1548 NE2 HIS A 692 -12.718 16.841 -42.033 1.00 25.00 N flip ATOM 0 H HIS A 692 -10.780 13.069 -43.132 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.134 14.293 -44.903 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -8.864 15.973 -43.723 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -9.985 16.553 -44.940 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -12.727 16.317 -44.120 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -11.951 17.215 -40.057 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -13.710 17.032 -41.891 1.00 25.00 H new