USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 73 MET CE :methyl 167:sc= 0 (180deg=-0.194) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= 0.0758 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -140:sc= 1.22 (180deg=0.598) USER MOD Set 3.1: A 53 MET CE :methyl -175:sc= -0.904 (180deg=-0.96) USER MOD Set 3.2: A 99 TYR OH : rot 15:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 25 ASN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.51) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.662 K(o=0.66,f=-2.4!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 46 MET CE :methyl -172:sc= 0 (180deg=-0.0486) USER MOD Single : A 48 THR OG1 : rot -74:sc= 1.11 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 1.05 K(o=1.1,f=-0.4) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0264 X(o=-0.026,f=-0.0092) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.053) USER MOD Single : A 71 GLN : amide:sc= 1.4 K(o=1.4,f=-0.043) USER MOD Single : A 72 HIS : no HD1:sc= -0.688! C(o=-0.69!,f=-5.3!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.477 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.293 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -176:sc= -0.357 (180deg=-0.403) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.525 K(o=0.52,f=-3.2!) USER MOD Single : A 108 THR OG1 : rot 130:sc= 0.224 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 6.468 14.693 13.505 1.00 0.00 N ATOM 2 CA GLN A 23 7.554 13.857 12.985 1.00 0.00 C ATOM 3 C GLN A 23 7.049 12.851 11.930 1.00 0.00 C ATOM 4 O GLN A 23 5.949 12.306 12.057 1.00 0.00 O ATOM 5 CB GLN A 23 8.253 13.118 14.143 1.00 0.00 C ATOM 6 CG GLN A 23 8.911 14.065 15.165 1.00 0.00 C ATOM 7 CD GLN A 23 9.594 13.333 16.325 1.00 0.00 C ATOM 8 OE1 GLN A 23 9.686 12.111 16.388 1.00 0.00 O ATOM 9 NE2 GLN A 23 10.105 14.056 17.302 1.00 0.00 N ATOM 0 HA GLN A 23 8.272 14.512 12.492 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.524 12.491 14.657 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.013 12.453 13.733 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.647 14.684 14.653 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.153 14.737 15.566 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.040 15.073 17.271 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.565 13.598 18.089 1.00 0.00 H new ATOM 18 N ILE A 24 7.860 12.583 10.894 1.00 0.00 N ATOM 19 CA ILE A 24 7.453 11.771 9.728 1.00 0.00 C ATOM 20 C ILE A 24 7.698 10.267 9.893 1.00 0.00 C ATOM 21 O ILE A 24 6.855 9.461 9.495 1.00 0.00 O ATOM 22 CB ILE A 24 8.091 12.356 8.441 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.215 13.528 7.947 1.00 0.00 C ATOM 24 CG2 ILE A 24 8.297 11.286 7.355 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.848 14.383 6.842 1.00 0.00 C ATOM 0 H ILE A 24 8.820 12.923 10.838 1.00 0.00 H new ATOM 0 HA ILE A 24 6.369 11.841 9.642 1.00 0.00 H new ATOM 0 HB ILE A 24 9.089 12.727 8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.270 13.127 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.981 14.171 8.795 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.746 11.744 6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.956 10.505 7.734 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.335 10.850 7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.160 15.180 6.560 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.778 14.819 7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.056 13.759 5.973 1.00 0.00 H new ATOM 37 N ASN A 25 8.834 9.892 10.491 1.00 0.00 N ATOM 38 CA ASN A 25 9.249 8.494 10.705 1.00 0.00 C ATOM 39 C ASN A 25 9.471 7.702 9.388 1.00 0.00 C ATOM 40 O ASN A 25 9.034 6.560 9.224 1.00 0.00 O ATOM 41 CB ASN A 25 8.319 7.788 11.712 1.00 0.00 C ATOM 42 CG ASN A 25 8.580 8.171 13.156 1.00 0.00 C ATOM 43 OD1 ASN A 25 8.671 7.346 14.056 1.00 0.00 O ATOM 44 ND2 ASN A 25 8.716 9.451 13.403 1.00 0.00 N ATOM 0 H ASN A 25 9.510 10.566 10.850 1.00 0.00 H new ATOM 0 HA ASN A 25 10.239 8.520 11.159 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.284 8.024 11.464 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.434 6.709 11.605 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.900 9.770 14.354 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.638 10.128 12.644 1.00 0.00 H new ATOM 51 N GLN A 26 10.146 8.339 8.431 1.00 0.00 N ATOM 52 CA GLN A 26 10.461 7.814 7.092 1.00 0.00 C ATOM 53 C GLN A 26 11.908 8.168 6.663 1.00 0.00 C ATOM 54 O GLN A 26 12.661 8.767 7.430 1.00 0.00 O ATOM 55 CB GLN A 26 9.370 8.187 6.081 1.00 0.00 C ATOM 56 CG GLN A 26 9.093 6.986 5.154 1.00 0.00 C ATOM 57 CD GLN A 26 8.436 5.791 5.862 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.333 5.862 6.383 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.089 4.646 5.903 1.00 0.00 N ATOM 0 H GLN A 26 10.508 9.282 8.570 1.00 0.00 H new ATOM 0 HA GLN A 26 10.450 6.725 7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.458 8.474 6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.684 9.049 5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.448 7.311 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.032 6.660 4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.011 4.569 5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.672 3.837 6.364 1.00 0.00 H new ATOM 68 N VAL A 27 12.316 7.760 5.455 1.00 0.00 N ATOM 69 CA VAL A 27 13.714 7.763 4.969 1.00 0.00 C ATOM 70 C VAL A 27 14.066 8.874 3.974 1.00 0.00 C ATOM 71 O VAL A 27 13.207 9.402 3.268 1.00 0.00 O ATOM 72 CB VAL A 27 14.029 6.351 4.405 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.476 6.140 3.941 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.771 5.260 5.460 1.00 0.00 C ATOM 0 H VAL A 27 11.662 7.404 4.758 1.00 0.00 H new ATOM 0 HA VAL A 27 14.352 7.995 5.822 1.00 0.00 H new ATOM 0 HB VAL A 27 13.367 6.278 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.593 5.124 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.711 6.850 3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 27 16.154 6.296 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.000 4.282 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.405 5.437 6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.724 5.287 5.763 1.00 0.00 H new ATOM 84 N ARG A 28 15.358 9.232 3.926 1.00 0.00 N ATOM 85 CA ARG A 28 15.941 10.189 2.975 1.00 0.00 C ATOM 86 C ARG A 28 16.376 9.544 1.644 1.00 0.00 C ATOM 87 O ARG A 28 16.938 8.447 1.658 1.00 0.00 O ATOM 88 CB ARG A 28 17.116 10.942 3.638 1.00 0.00 C ATOM 89 CG ARG A 28 18.370 10.101 3.951 1.00 0.00 C ATOM 90 CD ARG A 28 19.544 10.962 4.432 1.00 0.00 C ATOM 91 NE ARG A 28 19.245 11.649 5.705 1.00 0.00 N ATOM 92 CZ ARG A 28 19.065 12.945 5.889 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.138 13.821 4.933 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.795 13.433 7.061 1.00 0.00 N ATOM 0 H ARG A 28 16.049 8.849 4.571 1.00 0.00 H new ATOM 0 HA ARG A 28 15.154 10.898 2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.409 11.764 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.759 11.385 4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.128 9.362 4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.668 9.551 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 28 20.426 10.334 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.786 11.702 3.669 1.00 0.00 H new ATOM 0 HE ARG A 28 19.169 11.058 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.344 13.520 3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.990 14.810 5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.717 12.812 7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.660 14.437 7.177 1.00 0.00 H new ATOM 108 N PRO A 29 16.165 10.205 0.492 1.00 0.00 N ATOM 109 CA PRO A 29 16.759 9.797 -0.780 1.00 0.00 C ATOM 110 C PRO A 29 18.220 10.287 -0.860 1.00 0.00 C ATOM 111 O PRO A 29 18.670 11.077 -0.023 1.00 0.00 O ATOM 112 CB PRO A 29 15.838 10.409 -1.834 1.00 0.00 C ATOM 113 CG PRO A 29 15.371 11.711 -1.187 1.00 0.00 C ATOM 114 CD PRO A 29 15.317 11.375 0.304 1.00 0.00 C ATOM 0 HA PRO A 29 16.826 8.718 -0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.366 10.593 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.999 9.752 -2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.063 12.529 -1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.396 12.018 -1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.672 12.213 0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.294 11.168 0.619 1.00 0.00 H new ATOM 122 N LYS A 30 18.979 9.831 -1.865 1.00 0.00 N ATOM 123 CA LYS A 30 20.385 10.244 -2.072 1.00 0.00 C ATOM 124 C LYS A 30 20.452 11.697 -2.565 1.00 0.00 C ATOM 125 O LYS A 30 19.489 12.225 -3.116 1.00 0.00 O ATOM 126 CB LYS A 30 21.091 9.231 -3.005 1.00 0.00 C ATOM 127 CG LYS A 30 22.443 8.676 -2.518 1.00 0.00 C ATOM 128 CD LYS A 30 23.606 9.684 -2.527 1.00 0.00 C ATOM 129 CE LYS A 30 24.981 9.004 -2.409 1.00 0.00 C ATOM 130 NZ LYS A 30 25.202 8.358 -1.083 1.00 0.00 N ATOM 0 H LYS A 30 18.642 9.166 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 30 20.928 10.229 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.416 8.391 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 30 21.247 9.709 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.318 8.298 -1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.715 7.826 -3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.571 10.265 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.480 10.385 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.077 8.253 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 30 25.762 9.745 -2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.144 7.918 -1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.140 9.075 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.476 7.630 -0.926 1.00 0.00 H new ATOM 144 N LEU A 31 21.606 12.340 -2.413 1.00 0.00 N ATOM 145 CA LEU A 31 21.807 13.779 -2.640 1.00 0.00 C ATOM 146 C LEU A 31 21.352 14.308 -4.026 1.00 0.00 C ATOM 147 O LEU A 31 20.673 15.336 -4.040 1.00 0.00 O ATOM 148 CB LEU A 31 23.281 14.091 -2.299 1.00 0.00 C ATOM 149 CG LEU A 31 23.682 15.569 -2.420 1.00 0.00 C ATOM 150 CD1 LEU A 31 22.893 16.467 -1.464 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.171 15.728 -2.114 1.00 0.00 C ATOM 0 H LEU A 31 22.459 11.864 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 31 21.140 14.334 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.479 13.760 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.922 13.502 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 31 23.458 15.876 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.214 17.501 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 31 21.829 16.388 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.074 16.152 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.450 16.778 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.373 15.382 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.753 15.138 -2.822 1.00 0.00 H new ATOM 163 N PRO A 32 21.606 13.633 -5.173 1.00 0.00 N ATOM 164 CA PRO A 32 21.110 14.096 -6.479 1.00 0.00 C ATOM 165 C PRO A 32 19.601 14.067 -6.628 1.00 0.00 C ATOM 166 O PRO A 32 19.019 14.889 -7.334 1.00 0.00 O ATOM 167 CB PRO A 32 21.791 13.240 -7.553 1.00 0.00 C ATOM 168 CG PRO A 32 22.719 12.276 -6.817 1.00 0.00 C ATOM 169 CD PRO A 32 22.427 12.440 -5.330 1.00 0.00 C ATOM 0 HA PRO A 32 21.363 15.151 -6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.052 12.695 -8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.353 13.864 -8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.542 11.249 -7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.763 12.502 -7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.907 11.564 -4.943 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.355 12.536 -4.766 1.00 0.00 H new ATOM 177 N LEU A 33 18.967 13.148 -5.915 1.00 0.00 N ATOM 178 CA LEU A 33 17.530 12.991 -5.895 1.00 0.00 C ATOM 179 C LEU A 33 16.897 14.023 -4.956 1.00 0.00 C ATOM 180 O LEU A 33 15.999 14.754 -5.362 1.00 0.00 O ATOM 181 CB LEU A 33 17.302 11.531 -5.500 1.00 0.00 C ATOM 182 CG LEU A 33 15.929 10.967 -5.813 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.750 11.753 -5.242 1.00 0.00 C ATOM 184 CD2 LEU A 33 15.678 10.804 -7.304 1.00 0.00 C ATOM 0 H LEU A 33 19.455 12.477 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 33 17.047 13.184 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.049 10.918 -6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.478 11.433 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 33 15.968 9.998 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.817 11.265 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.828 11.787 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.763 12.768 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.679 10.397 -7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.756 11.774 -7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.418 10.124 -7.725 1.00 0.00 H new ATOM 196 N LEU A 34 17.433 14.178 -3.741 1.00 0.00 N ATOM 197 CA LEU A 34 17.006 15.213 -2.791 1.00 0.00 C ATOM 198 C LEU A 34 17.106 16.623 -3.405 1.00 0.00 C ATOM 199 O LEU A 34 16.231 17.450 -3.161 1.00 0.00 O ATOM 200 CB LEU A 34 17.860 15.066 -1.514 1.00 0.00 C ATOM 201 CG LEU A 34 17.445 15.961 -0.329 1.00 0.00 C ATOM 202 CD1 LEU A 34 16.007 15.694 0.125 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.369 15.695 0.859 1.00 0.00 C ATOM 0 H LEU A 34 18.182 13.584 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 34 15.954 15.080 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.822 14.026 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.898 15.285 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 34 17.518 16.994 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.762 16.349 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.323 15.889 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.911 14.654 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.076 16.328 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.293 14.648 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.398 15.920 0.577 1.00 0.00 H new ATOM 215 N LYS A 35 18.085 16.874 -4.289 1.00 0.00 N ATOM 216 CA LYS A 35 18.187 18.105 -5.077 1.00 0.00 C ATOM 217 C LYS A 35 16.967 18.395 -5.951 1.00 0.00 C ATOM 218 O LYS A 35 16.557 19.545 -6.001 1.00 0.00 O ATOM 219 CB LYS A 35 19.480 18.067 -5.918 1.00 0.00 C ATOM 220 CG LYS A 35 20.121 19.456 -6.007 1.00 0.00 C ATOM 221 CD LYS A 35 20.763 19.878 -4.672 1.00 0.00 C ATOM 222 CE LYS A 35 22.144 19.244 -4.453 1.00 0.00 C ATOM 223 NZ LYS A 35 22.895 19.946 -3.371 1.00 0.00 N ATOM 0 H LYS A 35 18.839 16.213 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 35 18.223 18.932 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.186 17.365 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.255 17.702 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.879 19.457 -6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.365 20.187 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.858 20.964 -4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.104 19.596 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.027 18.192 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.716 19.283 -5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.824 19.496 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.026 20.944 -3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.359 19.887 -2.482 1.00 0.00 H new ATOM 237 N ILE A 36 16.333 17.392 -6.565 1.00 0.00 N ATOM 238 CA ILE A 36 15.076 17.564 -7.329 1.00 0.00 C ATOM 239 C ILE A 36 13.962 18.064 -6.396 1.00 0.00 C ATOM 240 O ILE A 36 13.283 19.047 -6.673 1.00 0.00 O ATOM 241 CB ILE A 36 14.641 16.234 -7.976 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.760 15.628 -8.837 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.343 16.401 -8.780 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.413 16.563 -9.855 1.00 0.00 C ATOM 0 H ILE A 36 16.672 16.430 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 36 15.253 18.296 -8.117 1.00 0.00 H new ATOM 0 HB ILE A 36 14.440 15.531 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.537 15.250 -8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.353 14.770 -9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.064 15.445 -9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.546 16.741 -8.118 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.496 17.136 -9.570 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.186 16.023 -10.401 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.659 16.923 -10.555 1.00 0.00 H new ATOM 0 HD13 ILE A 36 16.860 17.411 -9.336 1.00 0.00 H new ATOM 256 N LEU A 37 13.803 17.389 -5.255 1.00 0.00 N ATOM 257 CA LEU A 37 12.756 17.631 -4.261 1.00 0.00 C ATOM 258 C LEU A 37 12.907 19.033 -3.659 1.00 0.00 C ATOM 259 O LEU A 37 11.946 19.791 -3.564 1.00 0.00 O ATOM 260 CB LEU A 37 12.860 16.517 -3.194 1.00 0.00 C ATOM 261 CG LEU A 37 12.271 15.149 -3.578 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.521 14.643 -4.995 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.756 14.086 -2.599 1.00 0.00 C ATOM 0 H LEU A 37 14.427 16.627 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 37 11.766 17.599 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.912 16.379 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.361 16.863 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 37 11.196 15.323 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.048 13.669 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.100 15.347 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.594 14.550 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.336 13.119 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.844 14.032 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.435 14.347 -1.590 1.00 0.00 H new ATOM 275 N HIS A 38 14.134 19.424 -3.323 1.00 0.00 N ATOM 276 CA HIS A 38 14.459 20.753 -2.805 1.00 0.00 C ATOM 277 C HIS A 38 14.341 21.838 -3.880 1.00 0.00 C ATOM 278 O HIS A 38 13.727 22.869 -3.611 1.00 0.00 O ATOM 279 CB HIS A 38 15.858 20.683 -2.171 1.00 0.00 C ATOM 280 CG HIS A 38 15.884 20.038 -0.798 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.976 20.031 0.077 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.829 19.434 -0.174 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.549 19.426 1.201 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.260 19.061 1.077 1.00 0.00 N ATOM 0 H HIS A 38 14.948 18.814 -3.404 1.00 0.00 H new ATOM 0 HA HIS A 38 13.736 21.044 -2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.519 20.126 -2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.261 21.693 -2.094 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.843 19.279 -0.586 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.156 19.257 2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.700 18.590 1.787 1.00 0.00 H new ATOM 292 N ALA A 39 14.780 21.573 -5.117 1.00 0.00 N ATOM 293 CA ALA A 39 14.600 22.459 -6.271 1.00 0.00 C ATOM 294 C ALA A 39 13.114 22.750 -6.541 1.00 0.00 C ATOM 295 O ALA A 39 12.768 23.833 -7.020 1.00 0.00 O ATOM 296 CB ALA A 39 15.275 21.821 -7.494 1.00 0.00 C ATOM 0 H ALA A 39 15.282 20.716 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 39 15.067 23.420 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.148 22.471 -8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.338 21.686 -7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.819 20.852 -7.697 1.00 0.00 H new ATOM 302 N ALA A 40 12.237 21.809 -6.177 1.00 0.00 N ATOM 303 CA ALA A 40 10.796 21.995 -6.208 1.00 0.00 C ATOM 304 C ALA A 40 10.219 22.712 -4.971 1.00 0.00 C ATOM 305 O ALA A 40 9.144 23.303 -5.073 1.00 0.00 O ATOM 306 CB ALA A 40 10.142 20.625 -6.388 1.00 0.00 C ATOM 0 H ALA A 40 12.520 20.886 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 40 10.572 22.657 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.058 20.740 -6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.482 20.179 -7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.418 19.978 -5.556 1.00 0.00 H new ATOM 312 N GLY A 41 10.884 22.641 -3.809 1.00 0.00 N ATOM 313 CA GLY A 41 10.386 23.137 -2.519 1.00 0.00 C ATOM 314 C GLY A 41 9.694 22.064 -1.662 1.00 0.00 C ATOM 315 O GLY A 41 8.540 22.244 -1.265 1.00 0.00 O ATOM 0 H GLY A 41 11.812 22.224 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.220 23.555 -1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.684 23.951 -2.701 1.00 0.00 H new ATOM 319 N ALA A 42 10.375 20.942 -1.391 1.00 0.00 N ATOM 320 CA ALA A 42 9.879 19.876 -0.507 1.00 0.00 C ATOM 321 C ALA A 42 9.761 20.297 0.972 1.00 0.00 C ATOM 322 O ALA A 42 10.391 21.257 1.424 1.00 0.00 O ATOM 323 CB ALA A 42 10.741 18.623 -0.676 1.00 0.00 C ATOM 0 H ALA A 42 11.296 20.746 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 42 8.857 19.654 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.371 17.835 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.693 18.285 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.774 18.855 -0.418 1.00 0.00 H new ATOM 329 N GLN A 43 8.965 19.541 1.738 1.00 0.00 N ATOM 330 CA GLN A 43 8.581 19.848 3.126 1.00 0.00 C ATOM 331 C GLN A 43 9.479 19.150 4.173 1.00 0.00 C ATOM 332 O GLN A 43 9.051 18.845 5.289 1.00 0.00 O ATOM 333 CB GLN A 43 7.073 19.563 3.287 1.00 0.00 C ATOM 334 CG GLN A 43 6.409 20.386 4.408 1.00 0.00 C ATOM 335 CD GLN A 43 4.900 20.153 4.537 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.277 19.363 3.835 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.241 20.840 5.448 1.00 0.00 N ATOM 0 H GLN A 43 8.556 18.670 1.400 1.00 0.00 H new ATOM 0 HA GLN A 43 8.751 20.906 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.569 19.774 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.932 18.502 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.887 20.142 5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.589 21.445 4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.736 21.503 6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.235 20.709 5.557 1.00 0.00 H new ATOM 346 N GLY A 44 10.729 18.861 3.801 1.00 0.00 N ATOM 347 CA GLY A 44 11.691 18.129 4.630 1.00 0.00 C ATOM 348 C GLY A 44 12.816 17.464 3.835 1.00 0.00 C ATOM 349 O GLY A 44 13.170 17.885 2.733 1.00 0.00 O ATOM 0 H GLY A 44 11.109 19.135 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.129 18.816 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.159 17.365 5.197 1.00 0.00 H new ATOM 353 N GLU A 45 13.375 16.406 4.420 1.00 0.00 N ATOM 354 CA GLU A 45 14.437 15.559 3.844 1.00 0.00 C ATOM 355 C GLU A 45 14.255 14.052 4.144 1.00 0.00 C ATOM 356 O GLU A 45 15.125 13.247 3.830 1.00 0.00 O ATOM 357 CB GLU A 45 15.813 16.115 4.247 1.00 0.00 C ATOM 358 CG GLU A 45 16.055 16.017 5.752 1.00 0.00 C ATOM 359 CD GLU A 45 17.337 16.759 6.169 1.00 0.00 C ATOM 360 OE1 GLU A 45 17.295 17.996 6.379 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.397 16.100 6.304 1.00 0.00 O ATOM 0 H GLU A 45 13.093 16.096 5.350 1.00 0.00 H new ATOM 0 HA GLU A 45 14.363 15.608 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.593 15.568 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.888 17.157 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.202 16.435 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.130 14.969 6.042 1.00 0.00 H new ATOM 368 N MET A 46 13.116 13.669 4.732 1.00 0.00 N ATOM 369 CA MET A 46 12.703 12.308 5.127 1.00 0.00 C ATOM 370 C MET A 46 11.233 12.131 4.728 1.00 0.00 C ATOM 371 O MET A 46 10.388 12.887 5.206 1.00 0.00 O ATOM 372 CB MET A 46 12.839 12.167 6.653 1.00 0.00 C ATOM 373 CG MET A 46 14.272 11.811 7.045 1.00 0.00 C ATOM 374 SD MET A 46 14.630 11.855 8.825 1.00 0.00 S ATOM 375 CE MET A 46 14.637 13.647 9.118 1.00 0.00 C ATOM 0 H MET A 46 12.398 14.355 4.965 1.00 0.00 H new ATOM 0 HA MET A 46 13.324 11.556 4.639 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.548 13.100 7.135 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.158 11.396 7.013 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.494 10.811 6.672 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.950 12.498 6.539 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.982 13.849 10.132 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.305 14.130 8.405 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.628 14.040 8.993 1.00 0.00 H new ATOM 385 N PHE A 47 10.924 11.181 3.839 1.00 0.00 N ATOM 386 CA PHE A 47 9.568 10.991 3.284 1.00 0.00 C ATOM 387 C PHE A 47 9.312 9.565 2.752 1.00 0.00 C ATOM 388 O PHE A 47 10.237 8.785 2.525 1.00 0.00 O ATOM 389 CB PHE A 47 9.262 12.015 2.164 1.00 0.00 C ATOM 390 CG PHE A 47 10.282 13.098 1.871 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.590 12.743 1.495 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.918 14.456 1.952 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.532 13.741 1.220 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.848 15.455 1.617 1.00 0.00 C ATOM 395 CZ PHE A 47 12.156 15.097 1.244 1.00 0.00 C ATOM 0 H PHE A 47 11.608 10.515 3.478 1.00 0.00 H new ATOM 0 HA PHE A 47 8.895 11.154 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.097 11.457 1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.321 12.505 2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.867 11.702 1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.923 14.730 2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.551 13.469 0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.559 16.495 1.646 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.871 15.861 0.976 1.00 0.00 H new ATOM 405 N THR A 48 8.040 9.226 2.528 1.00 0.00 N ATOM 406 CA THR A 48 7.587 8.001 1.828 1.00 0.00 C ATOM 407 C THR A 48 7.697 8.131 0.307 1.00 0.00 C ATOM 408 O THR A 48 7.770 9.240 -0.211 1.00 0.00 O ATOM 409 CB THR A 48 6.128 7.662 2.194 1.00 0.00 C ATOM 410 OG1 THR A 48 5.276 8.736 1.880 1.00 0.00 O ATOM 411 CG2 THR A 48 5.942 7.298 3.665 1.00 0.00 C ATOM 0 H THR A 48 7.263 9.811 2.836 1.00 0.00 H new ATOM 0 HA THR A 48 8.247 7.198 2.158 1.00 0.00 H new ATOM 0 HB THR A 48 5.870 6.784 1.601 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.405 9.457 2.531 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.893 7.071 3.854 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.551 6.426 3.904 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.250 8.137 4.289 1.00 0.00 H new ATOM 419 N VAL A 49 7.612 7.012 -0.430 1.00 0.00 N ATOM 420 CA VAL A 49 7.556 6.935 -1.905 1.00 0.00 C ATOM 421 C VAL A 49 6.532 7.914 -2.482 1.00 0.00 C ATOM 422 O VAL A 49 6.811 8.640 -3.440 1.00 0.00 O ATOM 423 CB VAL A 49 7.281 5.486 -2.362 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.867 4.964 -2.092 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.619 5.293 -3.844 1.00 0.00 C ATOM 0 H VAL A 49 7.579 6.090 0.004 1.00 0.00 H new ATOM 0 HA VAL A 49 8.530 7.231 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 49 7.945 4.890 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.783 3.939 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.668 4.990 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.142 5.591 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.414 4.262 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.010 5.967 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.674 5.513 -4.008 1.00 0.00 H new ATOM 435 N LYS A 50 5.366 7.978 -1.826 1.00 0.00 N ATOM 436 CA LYS A 50 4.220 8.775 -2.271 1.00 0.00 C ATOM 437 C LYS A 50 4.442 10.278 -2.075 1.00 0.00 C ATOM 438 O LYS A 50 4.058 11.080 -2.921 1.00 0.00 O ATOM 439 CB LYS A 50 2.912 8.169 -1.708 1.00 0.00 C ATOM 440 CG LYS A 50 1.862 9.099 -1.069 1.00 0.00 C ATOM 441 CD LYS A 50 2.125 9.415 0.414 1.00 0.00 C ATOM 442 CE LYS A 50 1.966 8.229 1.383 1.00 0.00 C ATOM 443 NZ LYS A 50 0.546 7.801 1.541 1.00 0.00 N ATOM 0 H LYS A 50 5.192 7.470 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 50 4.109 8.713 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.423 7.633 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.191 7.427 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.831 10.034 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.879 8.638 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.138 9.807 0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.445 10.209 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.557 7.388 1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.369 8.505 2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.496 7.001 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.016 8.593 1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.166 7.510 0.617 1.00 0.00 H new ATOM 457 N GLU A 51 5.145 10.642 -1.006 1.00 0.00 N ATOM 458 CA GLU A 51 5.635 12.006 -0.774 1.00 0.00 C ATOM 459 C GLU A 51 6.776 12.378 -1.736 1.00 0.00 C ATOM 460 O GLU A 51 6.672 13.396 -2.419 1.00 0.00 O ATOM 461 CB GLU A 51 6.095 12.162 0.680 1.00 0.00 C ATOM 462 CG GLU A 51 4.932 12.158 1.676 1.00 0.00 C ATOM 463 CD GLU A 51 5.443 11.998 3.118 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.930 10.888 3.448 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.341 12.960 3.917 1.00 0.00 O ATOM 0 H GLU A 51 5.396 9.991 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 51 4.808 12.690 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.782 11.352 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.651 13.094 0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.369 13.087 1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.246 11.345 1.437 1.00 0.00 H new ATOM 472 N VAL A 52 7.838 11.560 -1.855 1.00 0.00 N ATOM 473 CA VAL A 52 8.999 11.888 -2.702 1.00 0.00 C ATOM 474 C VAL A 52 8.614 12.098 -4.161 1.00 0.00 C ATOM 475 O VAL A 52 9.004 13.091 -4.774 1.00 0.00 O ATOM 476 CB VAL A 52 10.147 10.865 -2.632 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.849 10.894 -1.276 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.837 9.414 -2.947 1.00 0.00 C ATOM 0 H VAL A 52 7.916 10.664 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 52 9.367 12.824 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 52 10.778 11.216 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.653 10.158 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.264 11.887 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.132 10.658 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.746 8.819 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.088 9.042 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.454 9.336 -3.965 1.00 0.00 H new ATOM 488 N MET A 53 7.818 11.177 -4.704 1.00 0.00 N ATOM 489 CA MET A 53 7.392 11.236 -6.104 1.00 0.00 C ATOM 490 C MET A 53 6.466 12.429 -6.411 1.00 0.00 C ATOM 491 O MET A 53 6.492 12.937 -7.531 1.00 0.00 O ATOM 492 CB MET A 53 6.838 9.879 -6.566 1.00 0.00 C ATOM 493 CG MET A 53 5.386 9.568 -6.171 1.00 0.00 C ATOM 494 SD MET A 53 4.067 10.439 -7.074 1.00 0.00 S ATOM 495 CE MET A 53 4.425 9.961 -8.787 1.00 0.00 C ATOM 0 H MET A 53 7.452 10.375 -4.191 1.00 0.00 H new ATOM 0 HA MET A 53 8.278 11.433 -6.707 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.916 9.829 -7.652 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.478 9.093 -6.164 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.226 8.497 -6.292 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.271 9.790 -5.110 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.752 10.491 -9.461 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.457 10.217 -9.028 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.282 8.887 -8.902 1.00 0.00 H new ATOM 505 N HIS A 54 5.712 12.946 -5.430 1.00 0.00 N ATOM 506 CA HIS A 54 4.840 14.116 -5.619 1.00 0.00 C ATOM 507 C HIS A 54 5.630 15.391 -5.940 1.00 0.00 C ATOM 508 O HIS A 54 5.200 16.198 -6.768 1.00 0.00 O ATOM 509 CB HIS A 54 3.979 14.326 -4.368 1.00 0.00 C ATOM 510 CG HIS A 54 2.973 15.441 -4.524 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.775 15.361 -5.241 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.103 16.702 -4.017 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.211 16.579 -5.149 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.985 17.402 -4.419 1.00 0.00 N ATOM 0 H HIS A 54 5.689 12.566 -4.484 1.00 0.00 H new ATOM 0 HA HIS A 54 4.201 13.914 -6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.453 13.400 -4.136 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.628 14.545 -3.520 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.920 17.077 -3.419 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.269 16.857 -5.598 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.780 18.377 -4.200 1.00 0.00 H new ATOM 522 N TYR A 55 6.816 15.554 -5.343 1.00 0.00 N ATOM 523 CA TYR A 55 7.670 16.719 -5.593 1.00 0.00 C ATOM 524 C TYR A 55 8.188 16.788 -7.036 1.00 0.00 C ATOM 525 O TYR A 55 8.393 17.890 -7.533 1.00 0.00 O ATOM 526 CB TYR A 55 8.821 16.782 -4.581 1.00 0.00 C ATOM 527 CG TYR A 55 8.367 16.852 -3.134 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.562 17.922 -2.697 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.716 15.834 -2.229 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.038 17.930 -1.389 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.234 15.859 -0.910 1.00 0.00 C ATOM 532 CZ TYR A 55 7.373 16.894 -0.490 1.00 0.00 C ATOM 533 OH TYR A 55 6.893 16.900 0.784 1.00 0.00 O ATOM 0 H TYR A 55 7.208 14.887 -4.678 1.00 0.00 H new ATOM 0 HA TYR A 55 7.042 17.599 -5.456 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.454 15.904 -4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.437 17.654 -4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.345 18.740 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.359 15.028 -2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.381 18.727 -1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.523 15.084 -0.216 1.00 0.00 H new ATOM 0 HH TYR A 55 7.224 16.111 1.262 1.00 0.00 H new ATOM 543 N LEU A 56 8.329 15.667 -7.758 1.00 0.00 N ATOM 544 CA LEU A 56 8.608 15.686 -9.198 1.00 0.00 C ATOM 545 C LEU A 56 7.472 16.346 -9.988 1.00 0.00 C ATOM 546 O LEU A 56 7.737 17.119 -10.902 1.00 0.00 O ATOM 547 CB LEU A 56 8.822 14.262 -9.728 1.00 0.00 C ATOM 548 CG LEU A 56 10.184 13.649 -9.403 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.466 13.406 -7.921 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.320 12.316 -10.135 1.00 0.00 C ATOM 0 H LEU A 56 8.253 14.730 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 56 9.517 16.272 -9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.044 13.618 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.693 14.270 -10.810 1.00 0.00 H new ATOM 0 HG LEU A 56 10.911 14.392 -9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.458 12.969 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.421 14.352 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.720 12.722 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.290 11.873 -9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.528 11.641 -9.811 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.240 12.481 -11.209 1.00 0.00 H new ATOM 562 N GLY A 57 6.216 16.101 -9.618 1.00 0.00 N ATOM 563 CA GLY A 57 5.068 16.715 -10.283 1.00 0.00 C ATOM 564 C GLY A 57 5.051 18.236 -10.129 1.00 0.00 C ATOM 565 O GLY A 57 5.002 18.967 -11.124 1.00 0.00 O ATOM 0 H GLY A 57 5.966 15.475 -8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.086 16.460 -11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.148 16.300 -9.871 1.00 0.00 H new ATOM 569 N GLN A 58 5.254 18.734 -8.902 1.00 0.00 N ATOM 570 CA GLN A 58 5.370 20.179 -8.675 1.00 0.00 C ATOM 571 C GLN A 58 6.655 20.754 -9.294 1.00 0.00 C ATOM 572 O GLN A 58 6.624 21.883 -9.778 1.00 0.00 O ATOM 573 CB GLN A 58 5.192 20.537 -7.187 1.00 0.00 C ATOM 574 CG GLN A 58 6.502 20.663 -6.390 1.00 0.00 C ATOM 575 CD GLN A 58 6.265 20.848 -4.886 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.381 20.256 -4.282 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.067 21.640 -4.209 1.00 0.00 N ATOM 0 H GLN A 58 5.340 18.164 -8.060 1.00 0.00 H new ATOM 0 HA GLN A 58 4.547 20.665 -9.199 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.649 21.480 -7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.570 19.776 -6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.108 19.771 -6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.074 21.510 -6.770 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.812 22.144 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.945 21.750 -3.202 1.00 0.00 H new ATOM 586 N TYR A 59 7.757 19.986 -9.335 1.00 0.00 N ATOM 587 CA TYR A 59 8.999 20.383 -9.997 1.00 0.00 C ATOM 588 C TYR A 59 8.731 20.631 -11.483 1.00 0.00 C ATOM 589 O TYR A 59 9.026 21.700 -11.994 1.00 0.00 O ATOM 590 CB TYR A 59 10.078 19.297 -9.837 1.00 0.00 C ATOM 591 CG TYR A 59 11.403 19.537 -10.536 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.525 19.259 -11.912 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.538 19.926 -9.801 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.783 19.310 -12.539 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.805 19.944 -10.418 1.00 0.00 C ATOM 596 CZ TYR A 59 13.933 19.602 -11.781 1.00 0.00 C ATOM 597 OH TYR A 59 15.164 19.527 -12.355 1.00 0.00 O ATOM 0 H TYR A 59 7.805 19.063 -8.903 1.00 0.00 H new ATOM 0 HA TYR A 59 9.363 21.299 -9.531 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.274 19.168 -8.773 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.668 18.355 -10.202 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.648 19.005 -12.488 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.438 20.211 -8.764 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.867 19.126 -13.600 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.679 20.220 -9.847 1.00 0.00 H new ATOM 0 HH TYR A 59 15.848 19.761 -11.693 1.00 0.00 H new ATOM 607 N ILE A 60 8.111 19.677 -12.185 1.00 0.00 N ATOM 608 CA ILE A 60 7.788 19.805 -13.614 1.00 0.00 C ATOM 609 C ILE A 60 6.849 20.991 -13.842 1.00 0.00 C ATOM 610 O ILE A 60 7.049 21.756 -14.783 1.00 0.00 O ATOM 611 CB ILE A 60 7.159 18.496 -14.125 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.151 17.318 -14.069 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.640 18.651 -15.562 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.391 16.002 -13.896 1.00 0.00 C ATOM 0 H ILE A 60 7.817 18.789 -11.778 1.00 0.00 H new ATOM 0 HA ILE A 60 8.704 19.990 -14.174 1.00 0.00 H new ATOM 0 HB ILE A 60 6.323 18.277 -13.461 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.744 17.288 -14.983 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.847 17.457 -13.242 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.202 17.710 -15.894 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.883 19.435 -15.593 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.466 18.919 -16.220 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.100 15.175 -13.857 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.818 16.032 -12.969 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.713 15.860 -14.738 1.00 0.00 H new ATOM 626 N MET A 61 5.861 21.178 -12.964 1.00 0.00 N ATOM 627 CA MET A 61 4.925 22.301 -13.032 1.00 0.00 C ATOM 628 C MET A 61 5.654 23.660 -12.926 1.00 0.00 C ATOM 629 O MET A 61 5.490 24.506 -13.806 1.00 0.00 O ATOM 630 CB MET A 61 3.846 22.074 -11.960 1.00 0.00 C ATOM 631 CG MET A 61 2.583 22.920 -12.153 1.00 0.00 C ATOM 632 SD MET A 61 2.758 24.697 -11.820 1.00 0.00 S ATOM 633 CE MET A 61 2.242 25.362 -13.428 1.00 0.00 C ATOM 0 H MET A 61 5.687 20.549 -12.180 1.00 0.00 H new ATOM 0 HA MET A 61 4.435 22.344 -14.005 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.567 21.020 -11.958 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.271 22.293 -10.980 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.239 22.795 -13.180 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.802 22.524 -11.504 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.289 26.451 -13.404 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.906 24.988 -14.207 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.220 25.048 -13.641 1.00 0.00 H new ATOM 643 N VAL A 62 6.537 23.848 -11.932 1.00 0.00 N ATOM 644 CA VAL A 62 7.311 25.098 -11.755 1.00 0.00 C ATOM 645 C VAL A 62 8.399 25.293 -12.818 1.00 0.00 C ATOM 646 O VAL A 62 8.616 26.411 -13.288 1.00 0.00 O ATOM 647 CB VAL A 62 7.871 25.202 -10.319 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.015 24.246 -9.972 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.400 26.600 -10.021 1.00 0.00 C ATOM 0 H VAL A 62 6.738 23.140 -11.226 1.00 0.00 H new ATOM 0 HA VAL A 62 6.614 25.923 -11.903 1.00 0.00 H new ATOM 0 HB VAL A 62 7.003 24.935 -9.717 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.326 24.410 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.677 23.216 -10.090 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.858 24.430 -10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.785 26.634 -9.002 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.200 26.843 -10.720 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.593 27.325 -10.128 1.00 0.00 H new ATOM 659 N LYS A 63 9.048 24.202 -13.238 1.00 0.00 N ATOM 660 CA LYS A 63 10.050 24.161 -14.319 1.00 0.00 C ATOM 661 C LYS A 63 9.459 24.164 -15.742 1.00 0.00 C ATOM 662 O LYS A 63 10.225 24.336 -16.686 1.00 0.00 O ATOM 663 CB LYS A 63 10.964 22.937 -14.139 1.00 0.00 C ATOM 664 CG LYS A 63 11.820 22.930 -12.868 1.00 0.00 C ATOM 665 CD LYS A 63 12.753 24.137 -12.708 1.00 0.00 C ATOM 666 CE LYS A 63 13.832 23.793 -11.671 1.00 0.00 C ATOM 667 NZ LYS A 63 15.060 23.263 -12.328 1.00 0.00 N ATOM 0 H LYS A 63 8.887 23.285 -12.821 1.00 0.00 H new ATOM 0 HA LYS A 63 10.617 25.088 -14.230 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.345 22.040 -14.143 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.627 22.871 -15.002 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.159 22.884 -12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.422 22.021 -12.858 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.214 24.387 -13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.187 25.012 -12.388 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.081 24.683 -11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.444 23.055 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.443 22.477 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.824 22.923 -13.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.771 24.019 -12.396 1.00 0.00 H new ATOM 681 N GLN A 64 8.140 23.972 -15.895 1.00 0.00 N ATOM 682 CA GLN A 64 7.346 23.743 -17.109 1.00 0.00 C ATOM 683 C GLN A 64 8.051 22.817 -18.106 1.00 0.00 C ATOM 684 O GLN A 64 8.349 23.188 -19.244 1.00 0.00 O ATOM 685 CB GLN A 64 6.732 25.032 -17.680 1.00 0.00 C ATOM 686 CG GLN A 64 7.782 26.106 -17.951 1.00 0.00 C ATOM 687 CD GLN A 64 7.845 27.175 -16.859 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.893 27.899 -16.595 1.00 0.00 O ATOM 689 NE2 GLN A 64 8.963 27.319 -16.179 1.00 0.00 N ATOM 0 H GLN A 64 7.535 23.974 -15.074 1.00 0.00 H new ATOM 0 HA GLN A 64 6.464 23.171 -16.823 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.205 24.801 -18.606 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.992 25.420 -16.980 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.760 25.634 -18.045 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.566 26.584 -18.906 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.766 26.725 -16.386 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.026 28.025 -15.446 1.00 0.00 H new ATOM 698 N LEU A 65 8.314 21.584 -17.651 1.00 0.00 N ATOM 699 CA LEU A 65 8.986 20.547 -18.428 1.00 0.00 C ATOM 700 C LEU A 65 7.953 19.629 -19.091 1.00 0.00 C ATOM 701 O LEU A 65 8.149 18.424 -19.134 1.00 0.00 O ATOM 702 CB LEU A 65 10.026 19.767 -17.583 1.00 0.00 C ATOM 703 CG LEU A 65 11.130 20.594 -16.911 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.070 19.685 -16.128 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.958 21.416 -17.898 1.00 0.00 C ATOM 0 H LEU A 65 8.058 21.279 -16.712 1.00 0.00 H new ATOM 0 HA LEU A 65 9.557 21.029 -19.222 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.491 19.219 -16.807 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.500 19.026 -18.227 1.00 0.00 H new ATOM 0 HG LEU A 65 10.618 21.290 -16.247 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.848 20.285 -15.657 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.507 19.154 -15.361 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.528 18.965 -16.806 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.720 21.976 -17.356 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.439 20.749 -18.614 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.307 22.110 -18.429 1.00 0.00 H new ATOM 717 N TYR A 66 6.812 20.161 -19.529 1.00 0.00 N ATOM 718 CA TYR A 66 5.727 19.390 -20.149 1.00 0.00 C ATOM 719 C TYR A 66 5.245 19.979 -21.489 1.00 0.00 C ATOM 720 O TYR A 66 5.559 21.123 -21.829 1.00 0.00 O ATOM 721 CB TYR A 66 4.575 19.204 -19.156 1.00 0.00 C ATOM 722 CG TYR A 66 3.961 20.506 -18.694 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.478 21.142 -17.557 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.917 21.096 -19.424 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.926 22.362 -17.119 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.375 22.328 -19.009 1.00 0.00 C ATOM 727 CZ TYR A 66 2.873 22.960 -17.846 1.00 0.00 C ATOM 728 OH TYR A 66 2.358 24.149 -17.424 1.00 0.00 O ATOM 0 H TYR A 66 6.609 21.158 -19.463 1.00 0.00 H new ATOM 0 HA TYR A 66 6.133 18.410 -20.399 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.802 18.591 -19.619 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.939 18.655 -18.288 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.300 20.697 -17.016 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.529 20.605 -20.304 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.308 22.839 -16.229 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.581 22.789 -19.578 1.00 0.00 H new ATOM 0 HH TYR A 66 1.641 24.429 -18.031 1.00 0.00 H new ATOM 738 N ASP A 67 4.486 19.198 -22.266 1.00 0.00 N ATOM 739 CA ASP A 67 3.997 19.603 -23.593 1.00 0.00 C ATOM 740 C ASP A 67 2.777 20.547 -23.524 1.00 0.00 C ATOM 741 O ASP A 67 1.838 20.346 -22.749 1.00 0.00 O ATOM 742 CB ASP A 67 3.687 18.359 -24.446 1.00 0.00 C ATOM 743 CG ASP A 67 3.716 18.624 -25.965 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.406 19.762 -26.393 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.033 17.686 -26.734 1.00 0.00 O ATOM 0 H ASP A 67 4.191 18.261 -21.992 1.00 0.00 H new ATOM 0 HA ASP A 67 4.795 20.174 -24.068 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.409 17.578 -24.209 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.703 17.978 -24.172 1.00 0.00 H new ATOM 750 N GLN A 68 2.755 21.546 -24.407 1.00 0.00 N ATOM 751 CA GLN A 68 1.614 22.431 -24.671 1.00 0.00 C ATOM 752 C GLN A 68 0.408 21.667 -25.254 1.00 0.00 C ATOM 753 O GLN A 68 -0.742 22.012 -24.974 1.00 0.00 O ATOM 754 CB GLN A 68 1.986 23.569 -25.653 1.00 0.00 C ATOM 755 CG GLN A 68 3.472 23.864 -25.963 1.00 0.00 C ATOM 756 CD GLN A 68 3.894 23.450 -27.378 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.146 24.286 -28.236 1.00 0.00 O ATOM 758 NE2 GLN A 68 3.980 22.177 -27.715 1.00 0.00 N ATOM 0 H GLN A 68 3.565 21.772 -24.984 1.00 0.00 H new ATOM 0 HA GLN A 68 1.340 22.853 -23.704 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.493 23.354 -26.601 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.546 24.488 -25.266 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.657 24.930 -25.834 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.097 23.342 -25.238 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.777 21.452 -27.026 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.249 21.918 -28.664 1.00 0.00 H new ATOM 767 N GLN A 69 0.659 20.627 -26.058 1.00 0.00 N ATOM 768 CA GLN A 69 -0.382 19.801 -26.681 1.00 0.00 C ATOM 769 C GLN A 69 -0.960 18.747 -25.719 1.00 0.00 C ATOM 770 O GLN A 69 -2.114 18.339 -25.854 1.00 0.00 O ATOM 771 CB GLN A 69 0.192 19.106 -27.925 1.00 0.00 C ATOM 772 CG GLN A 69 0.795 20.059 -28.969 1.00 0.00 C ATOM 773 CD GLN A 69 -0.123 21.224 -29.337 1.00 0.00 C ATOM 774 OE1 GLN A 69 -1.204 21.062 -29.889 1.00 0.00 O ATOM 775 NE2 GLN A 69 0.267 22.442 -29.021 1.00 0.00 N ATOM 0 H GLN A 69 1.605 20.331 -26.298 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.201 20.465 -26.958 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.961 18.401 -27.609 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.599 18.524 -28.398 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.735 20.455 -28.586 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.031 19.494 -29.871 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.166 22.586 -28.561 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.330 23.241 -29.236 1.00 0.00 H new ATOM 784 N GLU A 70 -0.151 18.310 -24.749 1.00 0.00 N ATOM 785 CA GLU A 70 -0.451 17.217 -23.808 1.00 0.00 C ATOM 786 C GLU A 70 0.187 17.483 -22.433 1.00 0.00 C ATOM 787 O GLU A 70 1.331 17.115 -22.177 1.00 0.00 O ATOM 788 CB GLU A 70 0.048 15.871 -24.377 1.00 0.00 C ATOM 789 CG GLU A 70 -0.840 15.315 -25.496 1.00 0.00 C ATOM 790 CD GLU A 70 -0.485 13.848 -25.805 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.994 12.940 -25.102 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.291 13.591 -26.759 1.00 0.00 O ATOM 0 H GLU A 70 0.768 18.722 -24.588 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.532 17.167 -23.677 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.061 15.999 -24.758 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.101 15.141 -23.569 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.887 15.385 -25.203 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.719 15.919 -26.395 1.00 0.00 H new ATOM 799 N GLN A 71 -0.556 18.115 -21.521 1.00 0.00 N ATOM 800 CA GLN A 71 -0.048 18.549 -20.212 1.00 0.00 C ATOM 801 C GLN A 71 0.458 17.401 -19.320 1.00 0.00 C ATOM 802 O GLN A 71 1.379 17.585 -18.526 1.00 0.00 O ATOM 803 CB GLN A 71 -1.181 19.302 -19.507 1.00 0.00 C ATOM 804 CG GLN A 71 -1.261 20.788 -19.888 1.00 0.00 C ATOM 805 CD GLN A 71 -1.746 21.068 -21.310 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.917 21.325 -21.556 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.884 21.040 -22.303 1.00 0.00 N ATOM 0 H GLN A 71 -1.539 18.344 -21.670 1.00 0.00 H new ATOM 0 HA GLN A 71 0.823 19.182 -20.383 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.130 18.822 -19.747 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.046 19.219 -18.429 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.928 21.291 -19.188 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.274 21.233 -19.763 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.097 20.828 -22.121 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.196 21.230 -23.255 1.00 0.00 H new ATOM 816 N HIS A 72 -0.123 16.209 -19.465 1.00 0.00 N ATOM 817 CA HIS A 72 0.280 14.960 -18.815 1.00 0.00 C ATOM 818 C HIS A 72 1.528 14.296 -19.445 1.00 0.00 C ATOM 819 O HIS A 72 2.057 13.343 -18.874 1.00 0.00 O ATOM 820 CB HIS A 72 -0.951 14.038 -18.861 1.00 0.00 C ATOM 821 CG HIS A 72 -1.505 13.905 -20.250 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.414 14.784 -20.836 1.00 0.00 N ATOM 823 CD2 HIS A 72 -1.034 13.044 -21.192 1.00 0.00 C ATOM 824 CE1 HIS A 72 -2.482 14.429 -22.127 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.670 13.383 -22.370 1.00 0.00 N ATOM 0 H HIS A 72 -0.932 16.082 -20.073 1.00 0.00 H new ATOM 0 HA HIS A 72 0.593 15.164 -17.791 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.679 13.052 -18.484 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.723 14.431 -18.199 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.310 12.256 -21.048 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.101 14.914 -22.868 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.546 12.920 -23.270 1.00 0.00 H new ATOM 833 N MET A 73 2.016 14.772 -20.596 1.00 0.00 N ATOM 834 CA MET A 73 3.247 14.312 -21.252 1.00 0.00 C ATOM 835 C MET A 73 4.424 15.230 -20.885 1.00 0.00 C ATOM 836 O MET A 73 4.351 16.452 -21.035 1.00 0.00 O ATOM 837 CB MET A 73 3.034 14.235 -22.772 1.00 0.00 C ATOM 838 CG MET A 73 4.243 13.648 -23.506 1.00 0.00 C ATOM 839 SD MET A 73 4.647 11.940 -23.052 1.00 0.00 S ATOM 840 CE MET A 73 6.203 11.763 -23.960 1.00 0.00 C ATOM 0 H MET A 73 1.548 15.515 -21.116 1.00 0.00 H new ATOM 0 HA MET A 73 3.493 13.311 -20.898 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.155 13.626 -22.982 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.829 15.234 -23.158 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.055 13.690 -24.579 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.111 14.277 -23.309 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.720 10.864 -23.624 1.00 0.00 H new ATOM 0 HE2 MET A 73 5.995 11.684 -25.027 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.832 12.634 -23.777 1.00 0.00 H new ATOM 850 N VAL A 74 5.522 14.639 -20.414 1.00 0.00 N ATOM 851 CA VAL A 74 6.661 15.346 -19.807 1.00 0.00 C ATOM 852 C VAL A 74 7.905 15.237 -20.712 1.00 0.00 C ATOM 853 O VAL A 74 8.177 14.189 -21.301 1.00 0.00 O ATOM 854 CB VAL A 74 6.945 14.751 -18.411 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.977 15.595 -17.665 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.686 14.690 -17.527 1.00 0.00 C ATOM 0 H VAL A 74 5.652 13.628 -20.443 1.00 0.00 H new ATOM 0 HA VAL A 74 6.417 16.403 -19.700 1.00 0.00 H new ATOM 0 HB VAL A 74 7.312 13.740 -18.589 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.163 15.159 -16.684 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.907 15.619 -18.233 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.599 16.610 -17.545 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.943 14.264 -16.557 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.290 15.696 -17.388 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.933 14.067 -18.009 1.00 0.00 H new ATOM 866 N TYR A 75 8.678 16.322 -20.782 1.00 0.00 N ATOM 867 CA TYR A 75 9.909 16.524 -21.551 1.00 0.00 C ATOM 868 C TYR A 75 11.003 17.168 -20.665 1.00 0.00 C ATOM 869 O TYR A 75 11.233 18.378 -20.697 1.00 0.00 O ATOM 870 CB TYR A 75 9.581 17.358 -22.799 1.00 0.00 C ATOM 871 CG TYR A 75 8.866 16.530 -23.845 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.596 15.545 -24.535 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.484 16.676 -24.073 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.948 14.692 -25.443 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.836 15.834 -24.998 1.00 0.00 C ATOM 876 CZ TYR A 75 7.563 14.838 -25.685 1.00 0.00 C ATOM 877 OH TYR A 75 6.925 14.024 -26.572 1.00 0.00 O ATOM 0 H TYR A 75 8.436 17.160 -20.253 1.00 0.00 H new ATOM 0 HA TYR A 75 10.313 15.568 -21.883 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.959 18.207 -22.517 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.501 17.763 -23.220 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.658 15.445 -24.366 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.923 17.430 -23.541 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.508 13.924 -25.956 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.778 15.951 -25.182 1.00 0.00 H new ATOM 0 HH TYR A 75 5.976 14.265 -26.613 1.00 0.00 H new ATOM 887 N CYS A 76 11.676 16.348 -19.849 1.00 0.00 N ATOM 888 CA CYS A 76 12.689 16.733 -18.854 1.00 0.00 C ATOM 889 C CYS A 76 14.133 16.884 -19.367 1.00 0.00 C ATOM 890 O CYS A 76 15.012 17.211 -18.570 1.00 0.00 O ATOM 891 CB CYS A 76 12.642 15.739 -17.678 1.00 0.00 C ATOM 892 SG CYS A 76 11.173 16.002 -16.651 1.00 0.00 S ATOM 0 H CYS A 76 11.521 15.340 -19.865 1.00 0.00 H new ATOM 0 HA CYS A 76 12.416 17.743 -18.547 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.642 14.719 -18.061 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.539 15.851 -17.069 1.00 0.00 H new ATOM 0 HG CYS A 76 11.168 15.145 -15.673 1.00 0.00 H new ATOM 898 N GLY A 77 14.411 16.657 -20.656 1.00 0.00 N ATOM 899 CA GLY A 77 15.783 16.562 -21.201 1.00 0.00 C ATOM 900 C GLY A 77 16.703 17.771 -20.961 1.00 0.00 C ATOM 901 O GLY A 77 17.926 17.626 -21.000 1.00 0.00 O ATOM 0 H GLY A 77 13.686 16.532 -21.363 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.260 15.680 -20.773 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.712 16.395 -22.276 1.00 0.00 H new ATOM 905 N GLY A 78 16.135 18.949 -20.681 1.00 0.00 N ATOM 906 CA GLY A 78 16.869 20.176 -20.351 1.00 0.00 C ATOM 907 C GLY A 78 17.268 20.349 -18.874 1.00 0.00 C ATOM 908 O GLY A 78 17.870 21.376 -18.551 1.00 0.00 O ATOM 0 H GLY A 78 15.123 19.079 -20.678 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.774 20.208 -20.957 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.259 21.030 -20.644 1.00 0.00 H new ATOM 912 N ASP A 79 16.936 19.414 -17.969 1.00 0.00 N ATOM 913 CA ASP A 79 17.104 19.601 -16.512 1.00 0.00 C ATOM 914 C ASP A 79 17.748 18.425 -15.751 1.00 0.00 C ATOM 915 O ASP A 79 17.894 17.307 -16.265 1.00 0.00 O ATOM 916 CB ASP A 79 15.746 19.956 -15.871 1.00 0.00 C ATOM 917 CG ASP A 79 15.854 21.135 -14.880 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.903 21.293 -14.210 1.00 0.00 O ATOM 919 OD2 ASP A 79 14.881 21.915 -14.754 1.00 0.00 O ATOM 0 H ASP A 79 16.544 18.507 -18.223 1.00 0.00 H new ATOM 0 HA ASP A 79 17.818 20.419 -16.417 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.032 20.208 -16.655 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.353 19.082 -15.351 1.00 0.00 H new ATOM 924 N LEU A 80 18.078 18.682 -14.477 1.00 0.00 N ATOM 925 CA LEU A 80 18.635 17.695 -13.547 1.00 0.00 C ATOM 926 C LEU A 80 17.723 16.480 -13.423 1.00 0.00 C ATOM 927 O LEU A 80 18.214 15.358 -13.491 1.00 0.00 O ATOM 928 CB LEU A 80 18.816 18.316 -12.151 1.00 0.00 C ATOM 929 CG LEU A 80 19.763 17.537 -11.212 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.181 17.373 -11.759 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.888 18.286 -9.882 1.00 0.00 C ATOM 0 H LEU A 80 17.961 19.604 -14.057 1.00 0.00 H new ATOM 0 HA LEU A 80 19.600 17.381 -13.944 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.197 19.331 -12.267 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.839 18.395 -11.675 1.00 0.00 H new ATOM 0 HG LEU A 80 19.320 16.547 -11.103 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.785 16.816 -11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.146 16.831 -12.704 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.624 18.355 -11.921 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.556 17.738 -9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.292 19.282 -10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.905 18.371 -9.419 1.00 0.00 H new ATOM 943 N LEU A 81 16.403 16.690 -13.278 1.00 0.00 N ATOM 944 CA LEU A 81 15.455 15.579 -13.236 1.00 0.00 C ATOM 945 C LEU A 81 15.564 14.669 -14.481 1.00 0.00 C ATOM 946 O LEU A 81 15.554 13.449 -14.343 1.00 0.00 O ATOM 947 CB LEU A 81 14.024 16.123 -13.041 1.00 0.00 C ATOM 948 CG LEU A 81 12.898 15.066 -13.083 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.097 13.921 -12.087 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.557 15.730 -12.770 1.00 0.00 C ATOM 0 H LEU A 81 15.978 17.613 -13.189 1.00 0.00 H new ATOM 0 HA LEU A 81 15.705 14.948 -12.384 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.978 16.639 -12.082 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.829 16.867 -13.813 1.00 0.00 H new ATOM 0 HG LEU A 81 12.919 14.644 -14.088 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.269 13.217 -12.172 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.034 13.408 -12.305 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.130 14.322 -11.074 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.765 14.982 -12.800 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.596 16.178 -11.777 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.353 16.505 -13.509 1.00 0.00 H new ATOM 962 N GLY A 82 15.722 15.232 -15.686 1.00 0.00 N ATOM 963 CA GLY A 82 15.921 14.439 -16.911 1.00 0.00 C ATOM 964 C GLY A 82 17.247 13.677 -16.925 1.00 0.00 C ATOM 965 O GLY A 82 17.277 12.479 -17.221 1.00 0.00 O ATOM 0 H GLY A 82 15.716 16.240 -15.841 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.100 13.729 -17.014 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.881 15.101 -17.776 1.00 0.00 H new ATOM 969 N GLU A 83 18.342 14.337 -16.533 1.00 0.00 N ATOM 970 CA GLU A 83 19.659 13.687 -16.436 1.00 0.00 C ATOM 971 C GLU A 83 19.660 12.544 -15.400 1.00 0.00 C ATOM 972 O GLU A 83 20.267 11.493 -15.620 1.00 0.00 O ATOM 973 CB GLU A 83 20.756 14.751 -16.211 1.00 0.00 C ATOM 974 CG GLU A 83 21.551 14.669 -14.901 1.00 0.00 C ATOM 975 CD GLU A 83 22.733 15.662 -14.904 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.524 16.886 -15.087 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.896 15.221 -14.723 1.00 0.00 O ATOM 0 H GLU A 83 18.345 15.324 -16.276 1.00 0.00 H new ATOM 0 HA GLU A 83 19.891 13.197 -17.382 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.462 14.690 -17.039 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.289 15.735 -16.262 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.893 14.885 -14.059 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.925 13.655 -14.762 1.00 0.00 H new ATOM 984 N LEU A 84 18.917 12.726 -14.305 1.00 0.00 N ATOM 985 CA LEU A 84 18.711 11.750 -13.239 1.00 0.00 C ATOM 986 C LEU A 84 17.837 10.555 -13.663 1.00 0.00 C ATOM 987 O LEU A 84 18.169 9.408 -13.359 1.00 0.00 O ATOM 988 CB LEU A 84 18.141 12.521 -12.039 1.00 0.00 C ATOM 989 CG LEU A 84 17.828 11.626 -10.832 1.00 0.00 C ATOM 990 CD1 LEU A 84 18.188 12.369 -9.551 1.00 0.00 C ATOM 991 CD2 LEU A 84 16.345 11.253 -10.780 1.00 0.00 C ATOM 0 H LEU A 84 18.421 13.600 -14.132 1.00 0.00 H new ATOM 0 HA LEU A 84 19.658 11.281 -12.973 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.854 13.288 -11.738 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.230 13.035 -12.346 1.00 0.00 H new ATOM 0 HG LEU A 84 18.413 10.712 -10.929 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.968 11.738 -8.690 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.250 12.614 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.604 13.287 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.159 10.619 -9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.744 12.159 -10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.073 10.715 -11.688 1.00 0.00 H new ATOM 1003 N LEU A 85 16.746 10.815 -14.389 1.00 0.00 N ATOM 1004 CA LEU A 85 15.905 9.783 -15.019 1.00 0.00 C ATOM 1005 C LEU A 85 16.707 8.959 -16.039 1.00 0.00 C ATOM 1006 O LEU A 85 16.463 7.761 -16.185 1.00 0.00 O ATOM 1007 CB LEU A 85 14.690 10.443 -15.713 1.00 0.00 C ATOM 1008 CG LEU A 85 13.574 10.864 -14.737 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.637 11.854 -15.422 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.730 9.666 -14.288 1.00 0.00 C ATOM 0 H LEU A 85 16.413 11.764 -14.561 1.00 0.00 H new ATOM 0 HA LEU A 85 15.554 9.108 -14.238 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.029 11.320 -16.264 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.278 9.747 -16.444 1.00 0.00 H new ATOM 0 HG LEU A 85 14.059 11.310 -13.869 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.849 12.149 -14.729 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.200 12.736 -15.728 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.191 11.386 -16.299 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.954 10.004 -13.601 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.266 9.201 -15.158 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.368 8.939 -13.785 1.00 0.00 H new ATOM 1022 N GLY A 86 17.636 9.597 -16.763 1.00 0.00 N ATOM 1023 CA GLY A 86 18.405 8.983 -17.857 1.00 0.00 C ATOM 1024 C GLY A 86 17.653 8.952 -19.198 1.00 0.00 C ATOM 1025 O GLY A 86 18.153 8.401 -20.182 1.00 0.00 O ATOM 0 H GLY A 86 17.880 10.574 -16.602 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.338 9.532 -17.986 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.671 7.964 -17.576 1.00 0.00 H new ATOM 1029 N ARG A 87 16.455 9.552 -19.234 1.00 0.00 N ATOM 1030 CA ARG A 87 15.605 9.778 -20.409 1.00 0.00 C ATOM 1031 C ARG A 87 14.921 11.139 -20.305 1.00 0.00 C ATOM 1032 O ARG A 87 14.492 11.561 -19.234 1.00 0.00 O ATOM 1033 CB ARG A 87 14.613 8.615 -20.650 1.00 0.00 C ATOM 1034 CG ARG A 87 13.591 8.314 -19.534 1.00 0.00 C ATOM 1035 CD ARG A 87 14.152 7.394 -18.443 1.00 0.00 C ATOM 1036 NE ARG A 87 14.218 5.983 -18.872 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.916 5.014 -18.302 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.689 5.218 -17.272 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.845 3.799 -18.764 1.00 0.00 N ATOM 0 H ARG A 87 16.026 9.917 -18.384 1.00 0.00 H new ATOM 0 HA ARG A 87 16.239 9.796 -21.295 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.060 8.827 -21.565 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.192 7.709 -20.830 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.269 9.252 -19.081 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.707 7.851 -19.973 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.150 7.733 -18.164 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.529 7.471 -17.552 1.00 0.00 H new ATOM 0 HE ARG A 87 13.669 5.729 -19.693 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.773 6.154 -16.875 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.210 4.442 -16.863 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.251 3.593 -19.567 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.384 3.053 -18.323 1.00 0.00 H new ATOM 1053 N GLN A 88 14.813 11.804 -21.448 1.00 0.00 N ATOM 1054 CA GLN A 88 14.168 13.112 -21.602 1.00 0.00 C ATOM 1055 C GLN A 88 12.646 13.057 -21.510 1.00 0.00 C ATOM 1056 O GLN A 88 12.039 14.097 -21.298 1.00 0.00 O ATOM 1057 CB GLN A 88 14.605 13.729 -22.943 1.00 0.00 C ATOM 1058 CG GLN A 88 14.172 12.951 -24.202 1.00 0.00 C ATOM 1059 CD GLN A 88 14.762 13.562 -25.474 1.00 0.00 C ATOM 1060 OE1 GLN A 88 15.766 13.107 -26.007 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.182 14.619 -26.006 1.00 0.00 N ATOM 0 H GLN A 88 15.183 11.440 -22.326 1.00 0.00 H new ATOM 0 HA GLN A 88 14.492 13.735 -20.768 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.204 14.741 -23.006 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.691 13.816 -22.946 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.490 11.912 -24.116 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.084 12.946 -24.271 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.345 15.012 -25.576 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.570 15.044 -26.848 1.00 0.00 H new ATOM 1070 N SER A 89 12.018 11.897 -21.687 1.00 0.00 N ATOM 1071 CA SER A 89 10.548 11.814 -21.762 1.00 0.00 C ATOM 1072 C SER A 89 9.912 10.567 -21.142 1.00 0.00 C ATOM 1073 O SER A 89 10.475 9.469 -21.134 1.00 0.00 O ATOM 1074 CB SER A 89 10.083 11.982 -23.214 1.00 0.00 C ATOM 1075 OG SER A 89 10.664 10.995 -24.058 1.00 0.00 O ATOM 0 H SER A 89 12.495 11.001 -21.782 1.00 0.00 H new ATOM 0 HA SER A 89 10.195 12.636 -21.140 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.996 11.911 -23.261 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.353 12.975 -23.572 1.00 0.00 H new ATOM 0 HG SER A 89 10.349 11.124 -24.977 1.00 0.00 H new ATOM 1081 N PHE A 90 8.711 10.791 -20.605 1.00 0.00 N ATOM 1082 CA PHE A 90 7.785 9.843 -19.976 1.00 0.00 C ATOM 1083 C PHE A 90 6.404 10.534 -19.856 1.00 0.00 C ATOM 1084 O PHE A 90 6.276 11.736 -20.110 1.00 0.00 O ATOM 1085 CB PHE A 90 8.320 9.419 -18.597 1.00 0.00 C ATOM 1086 CG PHE A 90 8.407 10.541 -17.585 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.513 11.411 -17.591 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.359 10.739 -16.667 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.557 12.493 -16.700 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.415 11.810 -15.761 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.519 12.681 -15.772 1.00 0.00 C ATOM 0 H PHE A 90 8.323 11.734 -20.599 1.00 0.00 H new ATOM 0 HA PHE A 90 7.688 8.940 -20.578 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.677 8.635 -18.197 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.311 8.984 -18.724 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.327 11.246 -18.281 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.513 10.068 -16.659 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.389 13.182 -16.727 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.611 11.965 -15.056 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.569 13.496 -15.065 1.00 0.00 H new ATOM 1101 N SER A 91 5.369 9.800 -19.445 1.00 0.00 N ATOM 1102 CA SER A 91 4.008 10.329 -19.265 1.00 0.00 C ATOM 1103 C SER A 91 3.476 10.057 -17.859 1.00 0.00 C ATOM 1104 O SER A 91 3.814 9.056 -17.228 1.00 0.00 O ATOM 1105 CB SER A 91 3.077 9.702 -20.311 1.00 0.00 C ATOM 1106 OG SER A 91 1.733 10.116 -20.111 1.00 0.00 O ATOM 0 H SER A 91 5.449 8.808 -19.224 1.00 0.00 H new ATOM 0 HA SER A 91 4.042 11.410 -19.398 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.404 9.987 -21.311 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.139 8.615 -20.253 1.00 0.00 H new ATOM 0 HG SER A 91 1.159 9.705 -20.791 1.00 0.00 H new ATOM 1112 N VAL A 92 2.570 10.916 -17.394 1.00 0.00 N ATOM 1113 CA VAL A 92 1.746 10.716 -16.187 1.00 0.00 C ATOM 1114 C VAL A 92 1.000 9.370 -16.260 1.00 0.00 C ATOM 1115 O VAL A 92 0.770 8.726 -15.234 1.00 0.00 O ATOM 1116 CB VAL A 92 0.747 11.882 -16.124 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.543 11.667 -15.337 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.417 13.172 -15.642 1.00 0.00 C ATOM 0 H VAL A 92 2.377 11.803 -17.858 1.00 0.00 H new ATOM 0 HA VAL A 92 2.370 10.694 -15.293 1.00 0.00 H new ATOM 0 HB VAL A 92 0.428 11.957 -17.163 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.150 12.571 -15.379 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.099 10.836 -15.771 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.302 11.440 -14.299 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.680 13.975 -15.610 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.829 13.017 -14.645 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.220 13.443 -16.328 1.00 0.00 H new ATOM 1128 N LYS A 93 0.654 8.928 -17.482 1.00 0.00 N ATOM 1129 CA LYS A 93 -0.049 7.664 -17.775 1.00 0.00 C ATOM 1130 C LYS A 93 0.896 6.454 -17.924 1.00 0.00 C ATOM 1131 O LYS A 93 0.433 5.328 -18.106 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.942 7.838 -19.022 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.780 9.134 -19.035 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.825 9.115 -20.165 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.341 10.510 -20.561 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.039 11.230 -19.456 1.00 0.00 N ATOM 0 H LYS A 93 0.864 9.461 -18.326 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.674 7.438 -16.911 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.311 7.820 -19.910 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.616 6.984 -19.092 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.282 9.254 -18.075 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.122 9.994 -19.160 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.389 8.637 -21.042 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.670 8.500 -19.855 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.501 11.115 -20.902 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.024 10.409 -21.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.358 12.160 -19.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.861 10.674 -19.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.385 11.358 -18.658 1.00 0.00 H new ATOM 1150 N ASP A 94 2.211 6.678 -17.850 1.00 0.00 N ATOM 1151 CA ASP A 94 3.283 5.676 -17.962 1.00 0.00 C ATOM 1152 C ASP A 94 4.415 5.993 -16.948 1.00 0.00 C ATOM 1153 O ASP A 94 5.502 6.434 -17.336 1.00 0.00 O ATOM 1154 CB ASP A 94 3.772 5.637 -19.422 1.00 0.00 C ATOM 1155 CG ASP A 94 4.837 4.553 -19.665 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.733 3.447 -19.082 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.761 4.785 -20.484 1.00 0.00 O ATOM 0 H ASP A 94 2.581 7.617 -17.702 1.00 0.00 H new ATOM 0 HA ASP A 94 2.915 4.682 -17.709 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.922 5.459 -20.081 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.183 6.610 -19.689 1.00 0.00 H new ATOM 1162 N PRO A 95 4.160 5.814 -15.633 1.00 0.00 N ATOM 1163 CA PRO A 95 5.032 6.280 -14.545 1.00 0.00 C ATOM 1164 C PRO A 95 6.337 5.487 -14.347 1.00 0.00 C ATOM 1165 O PRO A 95 7.213 5.927 -13.599 1.00 0.00 O ATOM 1166 CB PRO A 95 4.152 6.178 -13.294 1.00 0.00 C ATOM 1167 CG PRO A 95 3.237 4.995 -13.593 1.00 0.00 C ATOM 1168 CD PRO A 95 2.959 5.195 -15.080 1.00 0.00 C ATOM 0 HA PRO A 95 5.389 7.284 -14.774 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.748 6.007 -12.398 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.583 7.093 -13.129 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.722 4.040 -13.391 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.324 5.021 -12.998 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.749 4.244 -15.569 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.087 5.831 -15.232 1.00 0.00 H new ATOM 1176 N SER A 96 6.477 4.325 -14.991 1.00 0.00 N ATOM 1177 CA SER A 96 7.541 3.333 -14.769 1.00 0.00 C ATOM 1178 C SER A 96 8.972 3.872 -14.581 1.00 0.00 C ATOM 1179 O SER A 96 9.601 3.461 -13.600 1.00 0.00 O ATOM 1180 CB SER A 96 7.524 2.293 -15.897 1.00 0.00 C ATOM 1181 OG SER A 96 6.245 1.673 -15.966 1.00 0.00 O ATOM 0 H SER A 96 5.822 4.033 -15.717 1.00 0.00 H new ATOM 0 HA SER A 96 7.295 2.895 -13.802 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.757 2.772 -16.848 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.293 1.541 -15.721 1.00 0.00 H new ATOM 0 HG SER A 96 6.241 1.012 -16.689 1.00 0.00 H new ATOM 1187 N PRO A 97 9.524 4.786 -15.416 1.00 0.00 N ATOM 1188 CA PRO A 97 10.924 5.201 -15.265 1.00 0.00 C ATOM 1189 C PRO A 97 11.226 5.953 -13.958 1.00 0.00 C ATOM 1190 O PRO A 97 12.355 5.882 -13.471 1.00 0.00 O ATOM 1191 CB PRO A 97 11.242 6.056 -16.494 1.00 0.00 C ATOM 1192 CG PRO A 97 9.883 6.563 -16.960 1.00 0.00 C ATOM 1193 CD PRO A 97 8.948 5.412 -16.608 1.00 0.00 C ATOM 0 HA PRO A 97 11.559 4.317 -15.200 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.910 6.880 -16.243 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.736 5.470 -17.269 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.599 7.484 -16.450 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.877 6.776 -18.029 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.938 5.773 -16.412 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.877 4.699 -17.430 1.00 0.00 H new ATOM 1201 N LEU A 98 10.243 6.633 -13.349 1.00 0.00 N ATOM 1202 CA LEU A 98 10.438 7.323 -12.070 1.00 0.00 C ATOM 1203 C LEU A 98 10.561 6.299 -10.923 1.00 0.00 C ATOM 1204 O LEU A 98 11.508 6.328 -10.137 1.00 0.00 O ATOM 1205 CB LEU A 98 9.351 8.418 -11.912 1.00 0.00 C ATOM 1206 CG LEU A 98 8.069 8.106 -11.115 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.272 8.236 -9.602 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.954 9.078 -11.499 1.00 0.00 C ATOM 0 H LEU A 98 9.299 6.718 -13.727 1.00 0.00 H new ATOM 0 HA LEU A 98 11.385 7.861 -12.036 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.824 9.282 -11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.047 8.723 -12.913 1.00 0.00 H new ATOM 0 HG LEU A 98 7.807 7.076 -11.359 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.339 8.006 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.046 7.540 -9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.576 9.255 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.055 8.845 -10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.269 10.098 -11.279 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.741 8.985 -12.564 1.00 0.00 H new ATOM 1220 N TYR A 99 9.661 5.316 -10.872 1.00 0.00 N ATOM 1221 CA TYR A 99 9.710 4.260 -9.859 1.00 0.00 C ATOM 1222 C TYR A 99 10.967 3.395 -10.020 1.00 0.00 C ATOM 1223 O TYR A 99 11.608 3.057 -9.027 1.00 0.00 O ATOM 1224 CB TYR A 99 8.411 3.445 -9.907 1.00 0.00 C ATOM 1225 CG TYR A 99 7.229 4.198 -9.320 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.937 4.089 -7.946 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.460 5.055 -10.131 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.875 4.827 -7.385 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.432 5.833 -9.566 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.121 5.706 -8.195 1.00 0.00 C ATOM 1231 OH TYR A 99 4.092 6.425 -7.668 1.00 0.00 O ATOM 0 H TYR A 99 8.883 5.229 -11.526 1.00 0.00 H new ATOM 0 HA TYR A 99 9.783 4.707 -8.868 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.191 3.179 -10.941 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.551 2.512 -9.361 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.529 3.438 -7.320 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.660 5.115 -11.191 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.638 4.721 -6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.881 6.528 -10.182 1.00 0.00 H new ATOM 0 HH TYR A 99 4.149 6.409 -6.690 1.00 0.00 H new ATOM 1241 N ASP A 100 11.405 3.139 -11.255 1.00 0.00 N ATOM 1242 CA ASP A 100 12.663 2.439 -11.540 1.00 0.00 C ATOM 1243 C ASP A 100 13.906 3.180 -11.041 1.00 0.00 C ATOM 1244 O ASP A 100 14.862 2.547 -10.599 1.00 0.00 O ATOM 1245 CB ASP A 100 12.795 2.238 -13.041 1.00 0.00 C ATOM 1246 CG ASP A 100 13.817 1.143 -13.393 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.671 0.000 -12.895 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.759 1.418 -14.173 1.00 0.00 O ATOM 0 H ASP A 100 10.893 3.413 -12.094 1.00 0.00 H new ATOM 0 HA ASP A 100 12.615 1.490 -11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.823 1.973 -13.457 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.096 3.177 -13.507 1.00 0.00 H new ATOM 1253 N MET A 101 13.890 4.515 -11.076 1.00 0.00 N ATOM 1254 CA MET A 101 14.946 5.337 -10.461 1.00 0.00 C ATOM 1255 C MET A 101 14.826 5.506 -8.938 1.00 0.00 C ATOM 1256 O MET A 101 15.856 5.628 -8.286 1.00 0.00 O ATOM 1257 CB MET A 101 15.284 6.616 -11.242 1.00 0.00 C ATOM 1258 CG MET A 101 14.273 7.748 -11.145 1.00 0.00 C ATOM 1259 SD MET A 101 14.103 8.549 -9.530 1.00 0.00 S ATOM 1260 CE MET A 101 12.614 9.539 -9.809 1.00 0.00 C ATOM 0 H MET A 101 13.153 5.057 -11.527 1.00 0.00 H new ATOM 0 HA MET A 101 15.848 4.734 -10.563 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.248 6.986 -10.893 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.405 6.354 -12.293 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.544 8.510 -11.876 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.297 7.359 -11.436 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.413 10.150 -8.929 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.764 10.186 -10.674 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.767 8.878 -9.993 1.00 0.00 H new ATOM 1270 N LEU A 102 13.635 5.478 -8.323 1.00 0.00 N ATOM 1271 CA LEU A 102 13.485 5.548 -6.874 1.00 0.00 C ATOM 1272 C LEU A 102 13.882 4.215 -6.247 1.00 0.00 C ATOM 1273 O LEU A 102 14.573 4.227 -5.238 1.00 0.00 O ATOM 1274 CB LEU A 102 12.034 5.915 -6.491 1.00 0.00 C ATOM 1275 CG LEU A 102 11.559 7.329 -6.875 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.101 7.506 -6.452 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.355 8.491 -6.276 1.00 0.00 C ATOM 0 H LEU A 102 12.749 5.406 -8.824 1.00 0.00 H new ATOM 0 HA LEU A 102 14.143 6.329 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.365 5.192 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.926 5.800 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 102 11.707 7.380 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.762 8.506 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.483 6.764 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.017 7.374 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.930 9.436 -6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.308 8.442 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.394 8.424 -6.598 1.00 0.00 H new ATOM 1289 N ARG A 103 13.557 3.073 -6.871 1.00 0.00 N ATOM 1290 CA ARG A 103 13.687 1.746 -6.242 1.00 0.00 C ATOM 1291 C ARG A 103 15.112 1.363 -5.821 1.00 0.00 C ATOM 1292 O ARG A 103 15.304 0.679 -4.817 1.00 0.00 O ATOM 1293 CB ARG A 103 12.973 0.695 -7.096 1.00 0.00 C ATOM 1294 CG ARG A 103 13.689 0.244 -8.370 1.00 0.00 C ATOM 1295 CD ARG A 103 12.839 -0.831 -9.046 1.00 0.00 C ATOM 1296 NE ARG A 103 13.418 -1.236 -10.342 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.003 -2.370 -10.674 1.00 0.00 C ATOM 1298 NH1 ARG A 103 14.175 -3.362 -9.845 1.00 0.00 N ATOM 1299 NH2 ARG A 103 14.429 -2.498 -11.894 1.00 0.00 N ATOM 0 H ARG A 103 13.197 3.041 -7.825 1.00 0.00 H new ATOM 0 HA ARG A 103 13.179 1.795 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.795 -0.184 -6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.997 1.090 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.836 1.090 -9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.677 -0.149 -8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.761 -1.700 -8.393 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.827 -0.455 -9.199 1.00 0.00 H new ATOM 0 HE ARG A 103 13.357 -0.540 -11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.849 -3.284 -8.882 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.635 -4.216 -10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.306 -1.735 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.887 -3.361 -12.186 1.00 0.00 H new ATOM 1313 N LYS A 104 16.102 1.865 -6.570 1.00 0.00 N ATOM 1314 CA LYS A 104 17.540 1.832 -6.262 1.00 0.00 C ATOM 1315 C LYS A 104 18.121 3.117 -5.646 1.00 0.00 C ATOM 1316 O LYS A 104 19.242 3.075 -5.142 1.00 0.00 O ATOM 1317 CB LYS A 104 18.354 1.331 -7.472 1.00 0.00 C ATOM 1318 CG LYS A 104 17.882 1.655 -8.895 1.00 0.00 C ATOM 1319 CD LYS A 104 17.567 3.124 -9.200 1.00 0.00 C ATOM 1320 CE LYS A 104 18.601 4.231 -8.941 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.868 4.022 -9.704 1.00 0.00 N ATOM 0 H LYS A 104 15.912 2.331 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 104 17.638 1.107 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.366 1.723 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.422 0.246 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.650 1.320 -9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.988 1.066 -9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.299 3.179 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.674 3.383 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.172 5.195 -9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.825 4.272 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.531 4.795 -9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.295 3.115 -9.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.662 4.010 -10.723 1.00 0.00 H new ATOM 1335 N ASN A 105 17.407 4.251 -5.670 1.00 0.00 N ATOM 1336 CA ASN A 105 17.876 5.483 -5.015 1.00 0.00 C ATOM 1337 C ASN A 105 17.527 5.492 -3.525 1.00 0.00 C ATOM 1338 O ASN A 105 18.383 5.794 -2.692 1.00 0.00 O ATOM 1339 CB ASN A 105 17.309 6.733 -5.695 1.00 0.00 C ATOM 1340 CG ASN A 105 18.150 7.909 -5.264 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.871 8.594 -4.294 1.00 0.00 O ATOM 1342 ND2 ASN A 105 19.282 8.077 -5.902 1.00 0.00 N ATOM 0 H ASN A 105 16.504 4.342 -6.135 1.00 0.00 H new ATOM 0 HA ASN A 105 18.961 5.501 -5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.332 6.623 -6.779 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.267 6.883 -5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.943 8.788 -5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.502 7.497 -6.712 1.00 0.00 H new ATOM 1349 N LEU A 106 16.274 5.144 -3.210 1.00 0.00 N ATOM 1350 CA LEU A 106 15.806 5.024 -1.821 1.00 0.00 C ATOM 1351 C LEU A 106 15.114 3.696 -1.479 1.00 0.00 C ATOM 1352 O LEU A 106 14.401 3.110 -2.293 1.00 0.00 O ATOM 1353 CB LEU A 106 14.965 6.246 -1.397 1.00 0.00 C ATOM 1354 CG LEU A 106 13.520 6.359 -1.929 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.667 7.168 -0.949 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.460 7.073 -3.270 1.00 0.00 C ATOM 0 H LEU A 106 15.557 4.938 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 106 16.716 5.012 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.920 6.257 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.503 7.143 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 106 13.147 5.341 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.649 7.244 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.655 6.670 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.089 8.167 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.425 7.130 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.863 8.080 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.050 6.522 -4.002 1.00 0.00 H new ATOM 1368 N VAL A 107 15.289 3.265 -0.225 1.00 0.00 N ATOM 1369 CA VAL A 107 14.543 2.151 0.380 1.00 0.00 C ATOM 1370 C VAL A 107 13.308 2.739 1.070 1.00 0.00 C ATOM 1371 O VAL A 107 13.420 3.675 1.864 1.00 0.00 O ATOM 1372 CB VAL A 107 15.420 1.332 1.351 1.00 0.00 C ATOM 1373 CG1 VAL A 107 14.645 0.154 1.955 1.00 0.00 C ATOM 1374 CG2 VAL A 107 16.653 0.761 0.636 1.00 0.00 C ATOM 0 H VAL A 107 15.965 3.687 0.411 1.00 0.00 H new ATOM 0 HA VAL A 107 14.232 1.446 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 107 15.725 2.019 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 107 15.295 -0.399 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.782 0.530 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 107 14.307 -0.507 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 107 17.252 0.189 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 107 16.333 0.110 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 107 17.251 1.578 0.233 1.00 0.00 H new ATOM 1384 N THR A 108 12.121 2.236 0.728 1.00 0.00 N ATOM 1385 CA THR A 108 10.823 2.823 1.122 1.00 0.00 C ATOM 1386 C THR A 108 9.705 1.760 1.183 1.00 0.00 C ATOM 1387 O THR A 108 9.973 0.560 1.098 1.00 0.00 O ATOM 1388 CB THR A 108 10.515 4.007 0.185 1.00 0.00 C ATOM 1389 OG1 THR A 108 9.378 4.726 0.618 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.310 3.622 -1.277 1.00 0.00 C ATOM 0 H THR A 108 12.024 1.395 0.160 1.00 0.00 H new ATOM 0 HA THR A 108 10.879 3.210 2.140 1.00 0.00 H new ATOM 0 HB THR A 108 11.410 4.627 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.590 5.682 0.653 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.098 4.517 -1.863 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.213 3.144 -1.658 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.472 2.930 -1.357 1.00 0.00 H new ATOM 1398 N LEU A 109 8.450 2.187 1.367 1.00 0.00 N ATOM 1399 CA LEU A 109 7.291 1.317 1.638 1.00 0.00 C ATOM 1400 C LEU A 109 6.810 0.485 0.428 1.00 0.00 C ATOM 1401 O LEU A 109 6.058 -0.477 0.606 1.00 0.00 O ATOM 1402 CB LEU A 109 6.146 2.162 2.213 1.00 0.00 C ATOM 1403 CG LEU A 109 6.459 2.839 3.562 1.00 0.00 C ATOM 1404 CD1 LEU A 109 5.163 3.427 4.096 1.00 0.00 C ATOM 1405 CD2 LEU A 109 7.002 1.883 4.629 1.00 0.00 C ATOM 0 H LEU A 109 8.202 3.176 1.331 1.00 0.00 H new ATOM 0 HA LEU A 109 7.624 0.577 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.882 2.932 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.270 1.526 2.336 1.00 0.00 H new ATOM 0 HG LEU A 109 7.232 3.584 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.352 3.915 5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.775 4.158 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.431 2.631 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.197 2.436 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.268 1.101 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.928 1.430 4.275 1.00 0.00 H new ATOM 1417 N ALA A 110 7.231 0.832 -0.793 1.00 0.00 N ATOM 1418 CA ALA A 110 6.885 0.107 -2.019 1.00 0.00 C ATOM 1419 C ALA A 110 7.514 -1.304 -2.069 1.00 0.00 C ATOM 1420 O ALA A 110 8.660 -1.507 -1.656 1.00 0.00 O ATOM 1421 CB ALA A 110 7.294 0.955 -3.230 1.00 0.00 C ATOM 0 H ALA A 110 7.832 1.639 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 110 5.807 -0.053 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.041 0.424 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.764 1.907 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 110 8.368 1.137 -3.201 1.00 0.00 H new ATOM 1427 N THR A 111 6.762 -2.278 -2.593 1.00 0.00 N ATOM 1428 CA THR A 111 7.140 -3.703 -2.645 1.00 0.00 C ATOM 1429 C THR A 111 6.632 -4.429 -3.896 1.00 0.00 C ATOM 1430 O THR A 111 5.693 -3.977 -4.570 1.00 0.00 O ATOM 1431 CB THR A 111 6.656 -4.407 -1.369 1.00 0.00 C ATOM 1432 OG1 THR A 111 7.221 -5.702 -1.304 1.00 0.00 O ATOM 1433 CG2 THR A 111 5.134 -4.540 -1.242 1.00 0.00 C ATOM 0 H THR A 111 5.847 -2.096 -3.005 1.00 0.00 H new ATOM 0 HA THR A 111 8.228 -3.744 -2.705 1.00 0.00 H new ATOM 0 HB THR A 111 6.982 -3.770 -0.547 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.914 -6.152 -0.489 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.890 -5.050 -0.310 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.681 -3.549 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.748 -5.116 -2.083 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.293 13.500 -11.868 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.977 14.065 -11.032 1.00 0.00 C HETATM 1444 CG2 48M A 200 1.142 11.691 -10.901 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.618 15.292 -13.445 1.00 0.00 C HETATM 1446 CD1 48M A 200 3.401 14.382 -12.329 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.875 13.431 -10.164 1.00 0.00 C HETATM 1448 CD3 48M A 200 0.738 10.674 -10.031 1.00 0.00 C HETATM 1449 CD4 48M A 200 2.020 11.367 -11.939 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.750 14.669 -13.992 1.00 0.00 C HETATM 1451 CD6 48M A 200 -0.082 16.406 -14.118 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.668 14.002 -12.772 1.00 0.00 C HETATM 1453 CE2 48M A 200 5.140 13.057 -10.607 1.00 0.00 C HETATM 1454 CE3 48M A 200 1.232 9.376 -10.170 1.00 0.00 C HETATM 1455 CE4 48M A 200 2.563 10.091 -12.045 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.382 15.178 -15.120 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.728 16.917 -15.250 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.530 13.327 -11.911 1.00 0.00 C HETATM 1459 CZ2 48M A 200 2.159 9.085 -11.169 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.886 16.317 -15.740 1.00 0.00 C HETATM 1461 CL2 48M A 200 7.080 12.794 -12.452 1.00 0.00 CL HETATM 1462 CL1 48M A 200 3.782 9.791 -13.233 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -2.583 16.860 -16.878 1.00 0.00 C HETATM 1464 CM2 48M A 200 2.680 16.723 -15.570 1.00 0.00 C HETATM 1465 CM3 48M A 200 3.131 18.255 -13.610 1.00 0.00 C HETATM 1466 NM1 48M A 200 -3.158 17.274 -17.776 1.00 0.00 N HETATM 1467 C1 48M A 200 -1.134 19.902 -10.773 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.298 19.364 -10.384 1.00 0.00 N HETATM 1469 O1 48M A 200 -1.092 21.101 -10.973 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.487 17.930 -10.148 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.144 17.502 -10.975 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.562 17.075 -11.033 1.00 0.00 C HETATM 1473 N3 48M A 200 0.836 15.385 -11.310 1.00 0.00 N HETATM 1474 C4 48M A 200 0.072 18.981 -10.946 1.00 0.00 C HETATM 1475 C5 48M A 200 0.927 16.663 -10.876 1.00 0.00 C HETATM 1476 O5 48M A 200 1.952 17.069 -10.365 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.080 14.723 -12.169 1.00 0.00 C HETATM 1478 O6 48M A 200 1.115 16.959 -13.700 1.00 0.00 O HETATM 1479 C7 48M A 200 0.562 13.101 -10.727 1.00 0.00 C HETATM 1480 C8 48M A 200 1.537 14.318 -10.570 1.00 0.00 C HETATM 1481 C9 48M A 200 2.051 17.680 -14.538 1.00 0.00 C