USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 755 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 79 MET CE :methyl 151:sc= -2.56 (180deg=-4.57!) USER MOD Set 1.2: A 83 ASN : amide:sc= -4.32! C(o=-6.9!,f=-9.4!) USER MOD Set 2.1: A 51 MET CE :methyl 159:sc= -0.861 (180deg=-2.43!) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.113 F(o=-0.63,f=-0.11) USER MOD Single : A 4 GLN : amide:sc= -0.584 K(o=-0.58,f=-2.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -9.76! C(o=-9.8!,f=-12!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.902 F(o=-1.7!,f=-0.9) USER MOD Single : A 24 MET CE :methyl -160:sc= -1.65 (180deg=-2.87!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0576 USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -1.38 (180deg=-2.54!) USER MOD Single : A 31 MET CE :methyl 145:sc= -4.84! (180deg=-6.79!) USER MOD Single : A 32 HIS : no HD1:sc=-0.000734 X(o=-0.00073,f=0) USER MOD Single : A 33 TYR OH : rot -153:sc= 0.0172 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -157:sc= -0.419 (180deg=-1.65!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.105 F(o=-3.3!,f=-0.1) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -1.41! F(o=-3.3,f=-1.4!) USER MOD Single : A 47 GLN :FLIP amide:sc= -2.32! C(o=-4.7!,f=-2.3!) USER MOD Single : A 49 GLN : amide:sc= -4.02 K(o=-4,f=-9.5!) USER MOD Single : A 50 HIS : no HE2:sc= -10.7! C(o=-11!,f=-13!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -3:sc= -4.21! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -122:sc= -0.634 (180deg=-5.05!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 6.640 -0.979 -0.257 1.00 0.00 N ATOM 38 CA ASN A 3 7.506 -1.806 -1.090 1.00 0.00 C ATOM 39 C ASN A 3 8.964 -1.668 -0.664 1.00 0.00 C ATOM 40 O ASN A 3 9.269 -1.017 0.335 1.00 0.00 O ATOM 41 CB ASN A 3 7.354 -1.418 -2.562 1.00 0.00 C ATOM 42 CG ASN A 3 6.858 -2.569 -3.415 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.354 -3.769 -3.135 1.00 0.00 O flip ATOM 44 ND2 ASN A 3 6.039 -2.382 -4.315 1.00 0.00 N flip ATOM 0 HA ASN A 3 7.206 -2.846 -0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.659 -0.582 -2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.314 -1.073 -2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.685 -1.443 -4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.715 -3.166 -4.881 1.00 0.00 H new ATOM 51 N GLN A 4 9.859 -2.284 -1.428 1.00 0.00 N ATOM 52 CA GLN A 4 11.285 -2.230 -1.130 1.00 0.00 C ATOM 53 C GLN A 4 11.984 -1.190 -1.999 1.00 0.00 C ATOM 54 O GLN A 4 11.351 -0.521 -2.816 1.00 0.00 O ATOM 55 CB GLN A 4 11.925 -3.603 -1.343 1.00 0.00 C ATOM 56 CG GLN A 4 11.180 -4.735 -0.655 1.00 0.00 C ATOM 57 CD GLN A 4 10.050 -5.289 -1.500 1.00 0.00 C ATOM 58 OE1 GLN A 4 10.103 -5.250 -2.730 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.020 -5.810 -0.844 1.00 0.00 N ATOM 0 H GLN A 4 9.622 -2.827 -2.259 1.00 0.00 H new ATOM 0 HA GLN A 4 11.401 -1.941 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.975 -3.809 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.951 -3.578 -0.975 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.881 -5.537 -0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.778 -4.377 0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.018 -5.821 0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.231 -6.199 -1.360 1.00 0.00 H new ATOM 68 N VAL A 5 13.294 -1.057 -1.817 1.00 0.00 N ATOM 69 CA VAL A 5 14.080 -0.098 -2.585 1.00 0.00 C ATOM 70 C VAL A 5 15.493 -0.615 -2.827 1.00 0.00 C ATOM 71 O VAL A 5 15.901 -1.628 -2.258 1.00 0.00 O ATOM 72 CB VAL A 5 14.158 1.264 -1.869 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.766 1.757 -1.506 1.00 0.00 C ATOM 74 CG2 VAL A 5 15.038 1.166 -0.633 1.00 0.00 C ATOM 0 H VAL A 5 13.834 -1.601 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 5 13.575 0.032 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 5 14.607 1.988 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.841 2.720 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.171 1.868 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.286 1.037 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.082 2.137 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.621 0.429 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.043 0.862 -0.925 1.00 0.00 H new ATOM 84 N ARG A 6 16.237 0.089 -3.674 1.00 0.00 N ATOM 85 CA ARG A 6 17.606 -0.299 -3.993 1.00 0.00 C ATOM 86 C ARG A 6 18.465 0.928 -4.284 1.00 0.00 C ATOM 87 O ARG A 6 18.675 1.310 -5.435 1.00 0.00 O ATOM 88 CB ARG A 6 17.624 -1.245 -5.195 1.00 0.00 C ATOM 89 CG ARG A 6 18.616 -2.388 -5.056 1.00 0.00 C ATOM 90 CD ARG A 6 17.947 -3.736 -5.271 1.00 0.00 C ATOM 91 NE ARG A 6 18.883 -4.739 -5.772 1.00 0.00 N ATOM 92 CZ ARG A 6 18.602 -6.035 -5.846 1.00 0.00 C ATOM 93 NH1 ARG A 6 17.417 -6.483 -5.454 1.00 0.00 N ATOM 94 NH2 ARG A 6 19.506 -6.886 -6.313 1.00 0.00 N ATOM 0 H ARG A 6 15.915 0.931 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 6 18.022 -0.815 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 6 16.625 -1.657 -5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 6 17.864 -0.674 -6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 6 19.422 -2.261 -5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 6 19.069 -2.359 -4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.516 -4.080 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.124 -3.624 -5.977 1.00 0.00 H new ATOM 0 HE ARG A 6 19.803 -4.427 -6.082 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.719 -5.832 -5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.204 -7.479 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 6 20.418 -6.545 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.289 -7.881 -6.369 1.00 0.00 H new ATOM 108 N PRO A 7 18.974 1.561 -3.216 1.00 0.00 N ATOM 109 CA PRO A 7 19.818 2.754 -3.332 1.00 0.00 C ATOM 110 C PRO A 7 21.188 2.440 -3.921 1.00 0.00 C ATOM 111 O PRO A 7 22.036 1.839 -3.261 1.00 0.00 O ATOM 112 CB PRO A 7 19.955 3.233 -1.884 1.00 0.00 C ATOM 113 CG PRO A 7 19.750 2.010 -1.060 1.00 0.00 C ATOM 114 CD PRO A 7 18.764 1.162 -1.815 1.00 0.00 C ATOM 0 HA PRO A 7 19.385 3.496 -4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 7 20.936 3.672 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.215 3.998 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 7 20.689 1.477 -0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.369 2.265 -0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 7 18.953 0.099 -1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.740 1.352 -1.492 1.00 0.00 H new ATOM 122 N LYS A 8 21.400 2.850 -5.166 1.00 0.00 N ATOM 123 CA LYS A 8 22.669 2.614 -5.845 1.00 0.00 C ATOM 124 C LYS A 8 23.795 3.401 -5.182 1.00 0.00 C ATOM 125 O LYS A 8 23.581 4.091 -4.184 1.00 0.00 O ATOM 126 CB LYS A 8 22.562 3.003 -7.321 1.00 0.00 C ATOM 127 CG LYS A 8 23.537 2.260 -8.218 1.00 0.00 C ATOM 128 CD LYS A 8 22.826 1.593 -9.384 1.00 0.00 C ATOM 129 CE LYS A 8 23.744 1.448 -10.588 1.00 0.00 C ATOM 130 NZ LYS A 8 23.807 0.041 -11.070 1.00 0.00 N ATOM 0 H LYS A 8 20.709 3.348 -5.727 1.00 0.00 H new ATOM 0 HA LYS A 8 22.899 1.551 -5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.546 2.812 -7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.735 4.075 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.286 2.955 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.067 1.507 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.467 0.610 -9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.950 2.180 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.392 2.092 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.746 1.787 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.443 -0.016 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.167 -0.571 -10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.855 -0.274 -11.346 1.00 0.00 H new ATOM 144 N LEU A 9 24.995 3.295 -5.743 1.00 0.00 N ATOM 145 CA LEU A 9 26.155 3.998 -5.206 1.00 0.00 C ATOM 146 C LEU A 9 25.805 5.441 -4.860 1.00 0.00 C ATOM 147 O LEU A 9 25.934 5.880 -3.716 1.00 0.00 O ATOM 148 CB LEU A 9 27.305 3.968 -6.215 1.00 0.00 C ATOM 149 CG LEU A 9 27.005 3.297 -7.555 1.00 0.00 C ATOM 150 CD1 LEU A 9 28.018 3.725 -8.606 1.00 0.00 C ATOM 151 CD2 LEU A 9 27.000 1.782 -7.404 1.00 0.00 C ATOM 0 H LEU A 9 25.190 2.729 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 9 26.467 3.491 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.620 4.994 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 9 28.151 3.456 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 9 26.015 3.614 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 9 27.788 3.237 -9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 9 27.974 4.806 -8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.019 3.439 -8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 9 26.785 1.321 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 9 27.976 1.448 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.236 1.491 -6.684 1.00 0.00 H new ATOM 163 N PRO A 10 25.349 6.198 -5.868 1.00 0.00 N ATOM 164 CA PRO A 10 24.968 7.603 -5.694 1.00 0.00 C ATOM 165 C PRO A 10 23.694 7.760 -4.871 1.00 0.00 C ATOM 166 O PRO A 10 23.260 8.877 -4.586 1.00 0.00 O ATOM 167 CB PRO A 10 24.741 8.090 -7.128 1.00 0.00 C ATOM 168 CG PRO A 10 24.394 6.861 -7.894 1.00 0.00 C ATOM 169 CD PRO A 10 25.170 5.742 -7.257 1.00 0.00 C ATOM 0 HA PRO A 10 25.728 8.167 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.938 8.825 -7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.634 8.568 -7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.322 6.665 -7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.658 6.969 -8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.626 4.799 -7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.127 5.583 -7.754 1.00 0.00 H new ATOM 177 N LEU A 11 23.099 6.635 -4.490 1.00 0.00 N ATOM 178 CA LEU A 11 21.874 6.648 -3.698 1.00 0.00 C ATOM 179 C LEU A 11 22.127 6.105 -2.295 1.00 0.00 C ATOM 180 O LEU A 11 21.322 6.307 -1.384 1.00 0.00 O ATOM 181 CB LEU A 11 20.788 5.822 -4.389 1.00 0.00 C ATOM 182 CG LEU A 11 19.753 6.611 -5.192 1.00 0.00 C ATOM 183 CD1 LEU A 11 20.369 7.884 -5.750 1.00 0.00 C ATOM 184 CD2 LEU A 11 19.183 5.755 -6.314 1.00 0.00 C ATOM 0 H LEU A 11 23.445 5.703 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 11 21.537 7.681 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.272 5.110 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.264 5.241 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 11 18.937 6.889 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.618 8.433 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.728 8.505 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.203 7.628 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.448 6.333 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.988 5.446 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.704 4.872 -5.891 1.00 0.00 H new ATOM 196 N LEU A 12 23.250 5.416 -2.127 1.00 0.00 N ATOM 197 CA LEU A 12 23.611 4.845 -0.834 1.00 0.00 C ATOM 198 C LEU A 12 24.156 5.919 0.103 1.00 0.00 C ATOM 199 O LEU A 12 23.827 5.949 1.289 1.00 0.00 O ATOM 200 CB LEU A 12 24.649 3.736 -1.015 1.00 0.00 C ATOM 201 CG LEU A 12 24.371 2.428 -0.275 1.00 0.00 C ATOM 202 CD1 LEU A 12 25.672 1.705 0.040 1.00 0.00 C ATOM 203 CD2 LEU A 12 23.584 2.694 1.000 1.00 0.00 C ATOM 0 H LEU A 12 23.926 5.239 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 12 22.711 4.422 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.735 3.517 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.617 4.116 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 12 23.771 1.787 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.454 0.776 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.198 1.481 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.298 2.339 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.395 1.752 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.158 3.354 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.635 3.167 0.750 1.00 0.00 H new ATOM 215 N LYS A 13 24.989 6.801 -0.438 1.00 0.00 N ATOM 216 CA LYS A 13 25.577 7.880 0.346 1.00 0.00 C ATOM 217 C LYS A 13 24.501 8.839 0.846 1.00 0.00 C ATOM 218 O LYS A 13 24.670 9.494 1.874 1.00 0.00 O ATOM 219 CB LYS A 13 26.608 8.643 -0.489 1.00 0.00 C ATOM 220 CG LYS A 13 26.174 8.874 -1.926 1.00 0.00 C ATOM 221 CD LYS A 13 26.289 10.339 -2.315 1.00 0.00 C ATOM 222 CE LYS A 13 26.903 10.503 -3.696 1.00 0.00 C ATOM 223 NZ LYS A 13 27.694 11.760 -3.806 1.00 0.00 N ATOM 0 H LYS A 13 25.272 6.790 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 13 26.074 7.438 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.804 9.606 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.547 8.090 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.788 8.270 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.143 8.543 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.301 10.800 -2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.899 10.865 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.546 9.649 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.113 10.504 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 28.096 11.835 -4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.075 12.576 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.464 11.748 -3.107 1.00 0.00 H new ATOM 237 N ILE A 14 23.396 8.915 0.112 1.00 0.00 N ATOM 238 CA ILE A 14 22.292 9.792 0.482 1.00 0.00 C ATOM 239 C ILE A 14 21.706 9.397 1.833 1.00 0.00 C ATOM 240 O ILE A 14 21.640 10.211 2.755 1.00 0.00 O ATOM 241 CB ILE A 14 21.174 9.768 -0.577 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.754 10.031 -1.968 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.103 10.794 -0.240 1.00 0.00 C ATOM 244 CD1 ILE A 14 22.286 11.436 -2.145 1.00 0.00 C ATOM 0 H ILE A 14 23.241 8.380 -0.742 1.00 0.00 H new ATOM 0 HA ILE A 14 22.698 10.801 0.546 1.00 0.00 H new ATOM 0 HB ILE A 14 20.714 8.780 -0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.558 9.320 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.982 9.846 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.320 10.765 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.673 10.564 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.547 11.789 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.681 11.551 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.480 12.153 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 14 23.080 11.618 -1.421 1.00 0.00 H new ATOM 256 N LEU A 15 21.283 8.143 1.944 1.00 0.00 N ATOM 257 CA LEU A 15 20.703 7.638 3.184 1.00 0.00 C ATOM 258 C LEU A 15 21.772 7.484 4.262 1.00 0.00 C ATOM 259 O LEU A 15 21.518 7.728 5.442 1.00 0.00 O ATOM 260 CB LEU A 15 20.014 6.295 2.938 1.00 0.00 C ATOM 261 CG LEU A 15 18.997 6.261 1.796 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.515 7.666 1.469 1.00 0.00 C ATOM 263 CD2 LEU A 15 19.601 5.603 0.564 1.00 0.00 C ATOM 0 H LEU A 15 21.331 7.457 1.191 1.00 0.00 H new ATOM 0 HA LEU A 15 19.964 8.360 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.781 5.547 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.509 5.995 3.856 1.00 0.00 H new ATOM 0 HG LEU A 15 18.139 5.670 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.792 7.622 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.044 8.103 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.363 8.281 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.864 5.587 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.476 6.168 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.897 4.582 0.805 1.00 0.00 H new ATOM 275 N HIS A 16 22.969 7.080 3.847 1.00 0.00 N ATOM 276 CA HIS A 16 24.077 6.896 4.777 1.00 0.00 C ATOM 277 C HIS A 16 24.358 8.182 5.549 1.00 0.00 C ATOM 278 O HIS A 16 24.496 8.166 6.772 1.00 0.00 O ATOM 279 CB HIS A 16 25.333 6.455 4.025 1.00 0.00 C ATOM 280 CG HIS A 16 25.367 4.988 3.723 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.522 4.316 3.385 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.377 4.064 3.711 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.241 3.041 3.177 1.00 0.00 C ATOM 284 NE2 HIS A 16 24.947 2.863 3.369 1.00 0.00 N ATOM 0 H HIS A 16 23.196 6.874 2.874 1.00 0.00 H new ATOM 0 HA HIS A 16 23.797 6.120 5.489 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.401 7.012 3.090 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.211 6.716 4.616 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.448 4.736 3.308 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.334 4.239 3.930 1.00 0.00 H new ATOM 0 HE1 HIS A 16 26.950 2.275 2.898 1.00 0.00 H new ATOM 292 N ALA A 17 24.442 9.294 4.826 1.00 0.00 N ATOM 293 CA ALA A 17 24.705 10.588 5.443 1.00 0.00 C ATOM 294 C ALA A 17 23.605 10.958 6.433 1.00 0.00 C ATOM 295 O ALA A 17 23.863 11.599 7.451 1.00 0.00 O ATOM 296 CB ALA A 17 24.841 11.664 4.376 1.00 0.00 C ATOM 0 H ALA A 17 24.332 9.325 3.812 1.00 0.00 H new ATOM 0 HA ALA A 17 25.644 10.516 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 17 25.037 12.625 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.666 11.413 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.917 11.725 3.801 1.00 0.00 H new ATOM 302 N ALA A 18 22.378 10.551 6.126 1.00 0.00 N ATOM 303 CA ALA A 18 21.239 10.839 6.989 1.00 0.00 C ATOM 304 C ALA A 18 21.230 9.923 8.208 1.00 0.00 C ATOM 305 O ALA A 18 20.443 10.115 9.135 1.00 0.00 O ATOM 306 CB ALA A 18 19.939 10.699 6.212 1.00 0.00 C ATOM 0 H ALA A 18 22.147 10.021 5.286 1.00 0.00 H new ATOM 0 HA ALA A 18 21.331 11.867 7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.097 10.917 6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.938 11.399 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.849 9.681 5.833 1.00 0.00 H new ATOM 312 N GLY A 19 22.109 8.926 8.201 1.00 0.00 N ATOM 313 CA GLY A 19 22.185 7.995 9.312 1.00 0.00 C ATOM 314 C GLY A 19 21.835 6.577 8.905 1.00 0.00 C ATOM 315 O GLY A 19 21.532 5.738 9.752 1.00 0.00 O ATOM 0 H GLY A 19 22.770 8.746 7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 19 23.192 8.012 9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.508 8.321 10.102 1.00 0.00 H new ATOM 319 N ALA A 20 21.876 6.310 7.604 1.00 0.00 N ATOM 320 CA ALA A 20 21.562 4.984 7.086 1.00 0.00 C ATOM 321 C ALA A 20 22.823 4.139 6.939 1.00 0.00 C ATOM 322 O ALA A 20 23.928 4.605 7.213 1.00 0.00 O ATOM 323 CB ALA A 20 20.840 5.096 5.752 1.00 0.00 C ATOM 0 H ALA A 20 22.124 6.994 6.889 1.00 0.00 H new ATOM 0 HA ALA A 20 20.906 4.488 7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.612 4.098 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.913 5.654 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.477 5.616 5.036 1.00 0.00 H new ATOM 329 N GLN A 21 22.648 2.895 6.505 1.00 0.00 N ATOM 330 CA GLN A 21 23.773 1.985 6.323 1.00 0.00 C ATOM 331 C GLN A 21 23.291 0.600 5.905 1.00 0.00 C ATOM 332 O GLN A 21 22.394 0.030 6.525 1.00 0.00 O ATOM 333 CB GLN A 21 24.590 1.886 7.612 1.00 0.00 C ATOM 334 CG GLN A 21 26.093 1.922 7.384 1.00 0.00 C ATOM 335 CD GLN A 21 26.718 3.233 7.819 1.00 0.00 C ATOM 336 OE1 GLN A 21 26.404 4.305 7.101 1.00 0.00 O flip ATOM 337 NE2 GLN A 21 27.475 3.282 8.789 1.00 0.00 N flip ATOM 0 H GLN A 21 21.739 2.494 6.273 1.00 0.00 H new ATOM 0 HA GLN A 21 24.406 2.384 5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.311 2.707 8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.331 0.961 8.126 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.559 1.102 7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.300 1.758 6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 21 27.689 2.433 9.312 1.00 0.00 H new ATOM 0 HE22 GLN A 21 27.888 4.172 9.069 1.00 0.00 H new ATOM 346 N GLY A 22 23.892 0.063 4.847 1.00 0.00 N ATOM 347 CA GLY A 22 23.510 -1.251 4.364 1.00 0.00 C ATOM 348 C GLY A 22 23.561 -1.350 2.853 1.00 0.00 C ATOM 349 O GLY A 22 24.634 -1.275 2.255 1.00 0.00 O ATOM 0 H GLY A 22 24.637 0.515 4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.173 -2.001 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.501 -1.481 4.706 1.00 0.00 H new ATOM 353 N GLU A 23 22.397 -1.522 2.233 1.00 0.00 N ATOM 354 CA GLU A 23 22.314 -1.634 0.782 1.00 0.00 C ATOM 355 C GLU A 23 20.860 -1.709 0.324 1.00 0.00 C ATOM 356 O GLU A 23 20.504 -1.188 -0.732 1.00 0.00 O ATOM 357 CB GLU A 23 23.076 -2.870 0.300 1.00 0.00 C ATOM 358 CG GLU A 23 24.366 -2.542 -0.434 1.00 0.00 C ATOM 359 CD GLU A 23 25.339 -3.705 -0.452 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.416 -4.431 0.561 1.00 0.00 O ATOM 361 OE2 GLU A 23 26.025 -3.888 -1.479 1.00 0.00 O ATOM 0 H GLU A 23 21.499 -1.587 2.713 1.00 0.00 H new ATOM 0 HA GLU A 23 22.768 -0.743 0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.306 -3.502 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.430 -3.450 -0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.133 -2.252 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.841 -1.683 0.040 1.00 0.00 H new ATOM 368 N MET A 24 20.026 -2.362 1.127 1.00 0.00 N ATOM 369 CA MET A 24 18.611 -2.504 0.805 1.00 0.00 C ATOM 370 C MET A 24 17.740 -1.932 1.918 1.00 0.00 C ATOM 371 O MET A 24 18.072 -2.040 3.098 1.00 0.00 O ATOM 372 CB MET A 24 18.264 -3.977 0.576 1.00 0.00 C ATOM 373 CG MET A 24 18.980 -4.924 1.525 1.00 0.00 C ATOM 374 SD MET A 24 20.724 -5.130 1.116 1.00 0.00 S ATOM 375 CE MET A 24 20.642 -5.249 -0.669 1.00 0.00 C ATOM 0 H MET A 24 20.305 -2.801 2.004 1.00 0.00 H new ATOM 0 HA MET A 24 18.414 -1.945 -0.110 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.188 -4.110 0.687 1.00 0.00 H new ATOM 0 HB3 MET A 24 18.515 -4.246 -0.450 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.892 -4.547 2.544 1.00 0.00 H new ATOM 0 HG3 MET A 24 18.488 -5.896 1.502 1.00 0.00 H new ATOM 0 HE1 MET A 24 21.550 -5.722 -1.044 1.00 0.00 H new ATOM 0 HE2 MET A 24 19.777 -5.847 -0.954 1.00 0.00 H new ATOM 0 HE3 MET A 24 20.550 -4.251 -1.096 1.00 0.00 H new ATOM 385 N PHE A 25 16.623 -1.322 1.535 1.00 0.00 N ATOM 386 CA PHE A 25 15.704 -0.731 2.501 1.00 0.00 C ATOM 387 C PHE A 25 14.293 -0.643 1.927 1.00 0.00 C ATOM 388 O PHE A 25 14.081 -0.862 0.734 1.00 0.00 O ATOM 389 CB PHE A 25 16.188 0.661 2.911 1.00 0.00 C ATOM 390 CG PHE A 25 17.611 0.684 3.391 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.661 0.588 2.492 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.899 0.803 4.741 1.00 0.00 C ATOM 393 CE1 PHE A 25 19.971 0.608 2.931 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.207 0.824 5.186 1.00 0.00 C ATOM 395 CZ PHE A 25 20.245 0.728 4.279 1.00 0.00 C ATOM 0 H PHE A 25 16.332 -1.224 0.562 1.00 0.00 H new ATOM 0 HA PHE A 25 15.679 -1.373 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.089 1.336 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.541 1.044 3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.453 0.497 1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.092 0.880 5.454 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.780 0.530 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.418 0.915 6.241 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.268 0.747 4.624 1.00 0.00 H new ATOM 405 N THR A 26 13.330 -0.322 2.785 1.00 0.00 N ATOM 406 CA THR A 26 11.939 -0.206 2.365 1.00 0.00 C ATOM 407 C THR A 26 11.573 1.244 2.069 1.00 0.00 C ATOM 408 O THR A 26 12.368 2.155 2.300 1.00 0.00 O ATOM 409 CB THR A 26 10.981 -0.757 3.438 1.00 0.00 C ATOM 410 OG1 THR A 26 11.651 -0.832 4.701 1.00 0.00 O ATOM 411 CG2 THR A 26 10.466 -2.134 3.048 1.00 0.00 C ATOM 0 H THR A 26 13.488 -0.138 3.776 1.00 0.00 H new ATOM 0 HA THR A 26 11.833 -0.797 1.455 1.00 0.00 H new ATOM 0 HB THR A 26 10.132 -0.079 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.035 -1.182 5.378 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.792 -2.503 3.821 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.931 -2.067 2.101 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.306 -2.820 2.942 1.00 0.00 H new ATOM 419 N VAL A 27 10.364 1.451 1.556 1.00 0.00 N ATOM 420 CA VAL A 27 9.892 2.791 1.229 1.00 0.00 C ATOM 421 C VAL A 27 9.992 3.718 2.435 1.00 0.00 C ATOM 422 O VAL A 27 10.419 4.867 2.316 1.00 0.00 O ATOM 423 CB VAL A 27 8.433 2.767 0.735 1.00 0.00 C ATOM 424 CG1 VAL A 27 8.130 4.006 -0.093 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.164 1.502 -0.066 1.00 0.00 C ATOM 0 H VAL A 27 9.694 0.708 1.358 1.00 0.00 H new ATOM 0 HA VAL A 27 10.533 3.166 0.431 1.00 0.00 H new ATOM 0 HB VAL A 27 7.773 2.768 1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.095 3.972 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.282 4.897 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.795 4.038 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.129 1.501 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.831 1.468 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.340 0.629 0.563 1.00 0.00 H new ATOM 435 N LYS A 28 9.597 3.212 3.598 1.00 0.00 N ATOM 436 CA LYS A 28 9.644 3.993 4.829 1.00 0.00 C ATOM 437 C LYS A 28 11.084 4.305 5.221 1.00 0.00 C ATOM 438 O LYS A 28 11.428 5.456 5.489 1.00 0.00 O ATOM 439 CB LYS A 28 8.947 3.238 5.963 1.00 0.00 C ATOM 440 CG LYS A 28 7.468 3.557 6.088 1.00 0.00 C ATOM 441 CD LYS A 28 6.606 2.368 5.698 1.00 0.00 C ATOM 442 CE LYS A 28 7.009 1.114 6.460 1.00 0.00 C ATOM 443 NZ LYS A 28 7.582 1.437 7.796 1.00 0.00 N ATOM 0 H LYS A 28 9.240 2.264 3.714 1.00 0.00 H new ATOM 0 HA LYS A 28 9.123 4.934 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.066 2.167 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.442 3.476 6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.243 3.849 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.224 4.409 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.559 2.595 5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.695 2.188 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.139 0.469 6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.740 0.554 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.545 0.593 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.570 1.741 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.031 2.203 8.234 1.00 0.00 H new ATOM 457 N GLU A 29 11.922 3.273 5.250 1.00 0.00 N ATOM 458 CA GLU A 29 13.326 3.439 5.609 1.00 0.00 C ATOM 459 C GLU A 29 13.974 4.539 4.773 1.00 0.00 C ATOM 460 O GLU A 29 14.603 5.452 5.309 1.00 0.00 O ATOM 461 CB GLU A 29 14.083 2.124 5.416 1.00 0.00 C ATOM 462 CG GLU A 29 13.924 1.154 6.576 1.00 0.00 C ATOM 463 CD GLU A 29 14.615 -0.172 6.326 1.00 0.00 C ATOM 464 OE1 GLU A 29 14.278 -0.837 5.324 1.00 0.00 O ATOM 465 OE2 GLU A 29 15.493 -0.545 7.132 1.00 0.00 O ATOM 0 H GLU A 29 11.653 2.314 5.029 1.00 0.00 H new ATOM 0 HA GLU A 29 13.375 3.727 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.734 1.644 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.142 2.341 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.330 1.606 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.863 0.979 6.755 1.00 0.00 H new ATOM 472 N VAL A 30 13.816 4.445 3.457 1.00 0.00 N ATOM 473 CA VAL A 30 14.385 5.431 2.546 1.00 0.00 C ATOM 474 C VAL A 30 13.807 6.818 2.807 1.00 0.00 C ATOM 475 O VAL A 30 14.544 7.796 2.924 1.00 0.00 O ATOM 476 CB VAL A 30 14.132 5.050 1.076 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.515 6.196 0.153 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.897 3.785 0.714 1.00 0.00 C ATOM 0 H VAL A 30 13.298 3.696 2.997 1.00 0.00 H new ATOM 0 HA VAL A 30 15.459 5.447 2.729 1.00 0.00 H new ATOM 0 HB VAL A 30 13.068 4.853 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.329 5.908 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.919 7.075 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.572 6.428 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.707 3.530 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.965 3.952 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.569 2.966 1.353 1.00 0.00 H new ATOM 488 N MET A 31 12.483 6.893 2.897 1.00 0.00 N ATOM 489 CA MET A 31 11.806 8.161 3.146 1.00 0.00 C ATOM 490 C MET A 31 12.270 8.776 4.462 1.00 0.00 C ATOM 491 O MET A 31 12.389 9.996 4.581 1.00 0.00 O ATOM 492 CB MET A 31 10.290 7.956 3.172 1.00 0.00 C ATOM 493 CG MET A 31 9.679 8.108 4.555 1.00 0.00 C ATOM 494 SD MET A 31 9.556 9.831 5.075 1.00 0.00 S ATOM 495 CE MET A 31 8.570 10.515 3.745 1.00 0.00 C ATOM 0 H MET A 31 11.858 6.092 2.801 1.00 0.00 H new ATOM 0 HA MET A 31 12.060 8.846 2.337 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.823 8.673 2.497 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.060 6.962 2.789 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.686 7.659 4.560 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.282 7.557 5.277 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.909 11.285 4.141 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.227 10.953 2.993 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.974 9.724 3.290 1.00 0.00 H new ATOM 505 N HIS A 32 12.531 7.924 5.449 1.00 0.00 N ATOM 506 CA HIS A 32 12.983 8.385 6.757 1.00 0.00 C ATOM 507 C HIS A 32 14.314 9.122 6.644 1.00 0.00 C ATOM 508 O HIS A 32 14.565 10.085 7.369 1.00 0.00 O ATOM 509 CB HIS A 32 13.121 7.204 7.718 1.00 0.00 C ATOM 510 CG HIS A 32 13.003 7.588 9.161 1.00 0.00 C ATOM 511 ND1 HIS A 32 12.046 7.063 10.003 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.730 8.449 9.910 1.00 0.00 C ATOM 513 CE1 HIS A 32 12.188 7.587 11.208 1.00 0.00 C ATOM 514 NE2 HIS A 32 13.204 8.431 11.178 1.00 0.00 N ATOM 0 H HIS A 32 12.437 6.912 5.368 1.00 0.00 H new ATOM 0 HA HIS A 32 12.237 9.077 7.148 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.355 6.464 7.484 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.087 6.725 7.556 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.568 9.041 9.573 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.577 7.363 12.070 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.543 8.980 11.968 1.00 0.00 H new ATOM 522 N TYR A 33 15.163 8.663 5.731 1.00 0.00 N ATOM 523 CA TYR A 33 16.469 9.277 5.525 1.00 0.00 C ATOM 524 C TYR A 33 16.338 10.599 4.775 1.00 0.00 C ATOM 525 O TYR A 33 17.119 11.527 4.988 1.00 0.00 O ATOM 526 CB TYR A 33 17.386 8.327 4.752 1.00 0.00 C ATOM 527 CG TYR A 33 17.701 7.049 5.496 1.00 0.00 C ATOM 528 CD1 TYR A 33 18.268 7.083 6.764 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.432 5.809 4.931 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.558 5.918 7.447 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.717 4.639 5.608 1.00 0.00 C ATOM 532 CZ TYR A 33 18.280 4.698 6.865 1.00 0.00 C ATOM 533 OH TYR A 33 18.567 3.535 7.542 1.00 0.00 O ATOM 0 H TYR A 33 14.970 7.868 5.122 1.00 0.00 H new ATOM 0 HA TYR A 33 16.906 9.478 6.503 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.917 8.077 3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.318 8.843 4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.486 8.036 7.223 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.993 5.759 3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 33 19.000 5.962 8.431 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.500 3.683 5.155 1.00 0.00 H new ATOM 0 HH TYR A 33 18.728 2.813 6.899 1.00 0.00 H new ATOM 543 N LEU A 34 15.345 10.677 3.897 1.00 0.00 N ATOM 544 CA LEU A 34 15.108 11.885 3.114 1.00 0.00 C ATOM 545 C LEU A 34 15.062 13.116 4.013 1.00 0.00 C ATOM 546 O LEU A 34 15.859 14.040 3.860 1.00 0.00 O ATOM 547 CB LEU A 34 13.800 11.762 2.331 1.00 0.00 C ATOM 548 CG LEU A 34 13.938 11.559 0.822 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.687 12.724 0.193 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.643 10.245 0.522 1.00 0.00 C ATOM 0 H LEU A 34 14.690 9.918 3.709 1.00 0.00 H new ATOM 0 HA LEU A 34 15.934 12.001 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.233 10.926 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.210 12.662 2.504 1.00 0.00 H new ATOM 0 HG LEU A 34 12.939 11.519 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.776 12.562 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.141 13.649 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.682 12.797 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.732 10.118 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.637 10.255 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.066 9.419 0.938 1.00 0.00 H new ATOM 562 N GLY A 35 14.123 13.120 4.955 1.00 0.00 N ATOM 563 CA GLY A 35 13.991 14.241 5.867 1.00 0.00 C ATOM 564 C GLY A 35 15.288 14.561 6.584 1.00 0.00 C ATOM 565 O GLY A 35 15.701 15.718 6.645 1.00 0.00 O ATOM 0 H GLY A 35 13.451 12.367 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.660 15.119 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.218 14.018 6.603 1.00 0.00 H new ATOM 569 N GLN A 36 15.930 13.533 7.129 1.00 0.00 N ATOM 570 CA GLN A 36 17.186 13.711 7.847 1.00 0.00 C ATOM 571 C GLN A 36 18.242 14.345 6.948 1.00 0.00 C ATOM 572 O GLN A 36 19.018 15.194 7.389 1.00 0.00 O ATOM 573 CB GLN A 36 17.690 12.367 8.377 1.00 0.00 C ATOM 574 CG GLN A 36 16.790 11.755 9.438 1.00 0.00 C ATOM 575 CD GLN A 36 17.572 11.142 10.583 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.734 9.924 10.658 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.063 11.986 11.484 1.00 0.00 N ATOM 0 H GLN A 36 15.601 12.568 7.087 1.00 0.00 H new ATOM 0 HA GLN A 36 17.003 14.380 8.688 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.783 11.669 7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.689 12.501 8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.122 12.522 9.829 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.163 10.990 8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.905 12.989 11.383 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.598 11.631 12.277 1.00 0.00 H new ATOM 586 N TYR A 37 18.266 13.928 5.687 1.00 0.00 N ATOM 587 CA TYR A 37 19.229 14.454 4.727 1.00 0.00 C ATOM 588 C TYR A 37 18.990 15.939 4.472 1.00 0.00 C ATOM 589 O TYR A 37 19.924 16.741 4.485 1.00 0.00 O ATOM 590 CB TYR A 37 19.143 13.679 3.411 1.00 0.00 C ATOM 591 CG TYR A 37 20.212 14.061 2.412 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.550 13.774 2.652 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.884 14.710 1.228 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.530 14.122 1.743 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.857 15.060 0.312 1.00 0.00 C ATOM 596 CZ TYR A 37 22.178 14.765 0.574 1.00 0.00 C ATOM 597 OH TYR A 37 23.151 15.112 -0.335 1.00 0.00 O ATOM 0 H TYR A 37 17.630 13.228 5.306 1.00 0.00 H new ATOM 0 HA TYR A 37 20.227 14.333 5.149 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.219 12.612 3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.163 13.847 2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.829 13.270 3.566 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.851 14.945 1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.566 13.892 1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.584 15.562 -0.605 1.00 0.00 H new ATOM 0 HH TYR A 37 22.737 15.556 -1.104 1.00 0.00 H new ATOM 607 N ILE A 38 17.731 16.298 4.242 1.00 0.00 N ATOM 608 CA ILE A 38 17.367 17.686 3.987 1.00 0.00 C ATOM 609 C ILE A 38 17.778 18.584 5.148 1.00 0.00 C ATOM 610 O ILE A 38 18.368 19.646 4.947 1.00 0.00 O ATOM 611 CB ILE A 38 15.854 17.836 3.746 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.410 16.951 2.579 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.502 19.292 3.477 1.00 0.00 C ATOM 614 CD1 ILE A 38 13.916 16.962 2.347 1.00 0.00 C ATOM 0 H ILE A 38 16.946 15.647 4.227 1.00 0.00 H new ATOM 0 HA ILE A 38 17.901 17.992 3.088 1.00 0.00 H new ATOM 0 HB ILE A 38 15.325 17.514 4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 38 15.913 17.282 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.733 15.927 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.429 19.382 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.787 19.900 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.038 19.639 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.674 16.313 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.406 16.602 3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.589 17.978 2.127 1.00 0.00 H new ATOM 626 N MET A 39 17.463 18.151 6.365 1.00 0.00 N ATOM 627 CA MET A 39 17.802 18.916 7.559 1.00 0.00 C ATOM 628 C MET A 39 19.313 18.972 7.758 1.00 0.00 C ATOM 629 O MET A 39 19.851 19.976 8.225 1.00 0.00 O ATOM 630 CB MET A 39 17.136 18.299 8.791 1.00 0.00 C ATOM 631 CG MET A 39 18.127 17.763 9.812 1.00 0.00 C ATOM 632 SD MET A 39 17.334 17.261 11.352 1.00 0.00 S ATOM 633 CE MET A 39 16.288 18.680 11.672 1.00 0.00 C ATOM 0 H MET A 39 16.974 17.275 6.550 1.00 0.00 H new ATOM 0 HA MET A 39 17.433 19.933 7.426 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.506 19.050 9.268 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.481 17.488 8.472 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.657 16.911 9.386 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.873 18.528 10.025 1.00 0.00 H new ATOM 0 HE1 MET A 39 16.055 18.728 12.736 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.808 19.590 11.373 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.364 18.586 11.102 1.00 0.00 H new ATOM 643 N VAL A 40 19.994 17.887 7.401 1.00 0.00 N ATOM 644 CA VAL A 40 21.443 17.814 7.539 1.00 0.00 C ATOM 645 C VAL A 40 22.135 18.799 6.604 1.00 0.00 C ATOM 646 O VAL A 40 23.135 19.419 6.966 1.00 0.00 O ATOM 647 CB VAL A 40 21.964 16.394 7.248 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.682 16.353 5.907 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.880 15.922 8.367 1.00 0.00 C ATOM 0 H VAL A 40 19.565 17.047 7.014 1.00 0.00 H new ATOM 0 HA VAL A 40 21.676 18.074 8.572 1.00 0.00 H new ATOM 0 HB VAL A 40 21.112 15.717 7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.043 15.342 5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.992 16.645 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.526 17.042 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.238 14.917 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.729 16.600 8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.329 15.911 9.308 1.00 0.00 H new ATOM 659 N LYS A 41 21.596 18.939 5.398 1.00 0.00 N ATOM 660 CA LYS A 41 22.159 19.851 4.408 1.00 0.00 C ATOM 661 C LYS A 41 21.566 21.248 4.556 1.00 0.00 C ATOM 662 O LYS A 41 22.105 22.220 4.026 1.00 0.00 O ATOM 663 CB LYS A 41 21.902 19.323 2.995 1.00 0.00 C ATOM 664 CG LYS A 41 23.011 18.427 2.470 1.00 0.00 C ATOM 665 CD LYS A 41 24.327 19.178 2.353 1.00 0.00 C ATOM 666 CE LYS A 41 25.301 18.768 3.446 1.00 0.00 C ATOM 667 NZ LYS A 41 26.460 18.009 2.901 1.00 0.00 N ATOM 0 H LYS A 41 20.769 18.432 5.082 1.00 0.00 H new ATOM 0 HA LYS A 41 23.234 19.913 4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.964 18.768 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.777 20.168 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.136 17.573 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.729 18.031 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.772 18.985 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.142 20.250 2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.661 19.657 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.782 18.157 4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.100 17.748 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.119 17.147 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.971 18.601 2.215 1.00 0.00 H new ATOM 681 N GLN A 42 20.455 21.341 5.280 1.00 0.00 N ATOM 682 CA GLN A 42 19.791 22.621 5.498 1.00 0.00 C ATOM 683 C GLN A 42 19.161 23.134 4.207 1.00 0.00 C ATOM 684 O GLN A 42 19.628 24.111 3.621 1.00 0.00 O ATOM 685 CB GLN A 42 20.785 23.650 6.038 1.00 0.00 C ATOM 686 CG GLN A 42 20.571 23.991 7.504 1.00 0.00 C ATOM 687 CD GLN A 42 21.429 23.150 8.429 1.00 0.00 C ATOM 688 OE1 GLN A 42 21.714 21.920 8.017 1.00 0.00 O flip ATOM 689 NE2 GLN A 42 21.830 23.600 9.503 1.00 0.00 N flip ATOM 0 H GLN A 42 19.996 20.546 5.725 1.00 0.00 H new ATOM 0 HA GLN A 42 19.000 22.471 6.233 1.00 0.00 H new ATOM 0 HB2 GLN A 42 21.798 23.269 5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.708 24.562 5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 42 20.796 25.045 7.665 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.521 23.847 7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.587 24.551 9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.405 23.022 10.115 1.00 0.00 H new ATOM 698 N LEU A 43 18.098 22.468 3.768 1.00 0.00 N ATOM 699 CA LEU A 43 17.404 22.856 2.545 1.00 0.00 C ATOM 700 C LEU A 43 15.904 22.990 2.790 1.00 0.00 C ATOM 701 O LEU A 43 15.099 22.297 2.168 1.00 0.00 O ATOM 702 CB LEU A 43 17.662 21.829 1.441 1.00 0.00 C ATOM 703 CG LEU A 43 19.056 21.855 0.813 1.00 0.00 C ATOM 704 CD1 LEU A 43 19.379 20.512 0.175 1.00 0.00 C ATOM 705 CD2 LEU A 43 19.158 22.973 -0.214 1.00 0.00 C ATOM 0 H LEU A 43 17.698 21.657 4.241 1.00 0.00 H new ATOM 0 HA LEU A 43 17.790 23.825 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.488 20.834 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.927 21.982 0.651 1.00 0.00 H new ATOM 0 HG LEU A 43 19.785 22.045 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 43 20.375 20.549 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.348 19.731 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.646 20.292 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 43 20.157 22.976 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.419 22.814 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.971 23.931 0.271 1.00 0.00 H new ATOM 717 N TYR A 44 15.536 23.887 3.698 1.00 0.00 N ATOM 718 CA TYR A 44 14.134 24.113 4.025 1.00 0.00 C ATOM 719 C TYR A 44 13.942 25.470 4.695 1.00 0.00 C ATOM 720 O TYR A 44 14.887 26.051 5.227 1.00 0.00 O ATOM 721 CB TYR A 44 13.617 23.002 4.942 1.00 0.00 C ATOM 722 CG TYR A 44 14.407 22.857 6.223 1.00 0.00 C ATOM 723 CD1 TYR A 44 15.719 22.401 6.205 1.00 0.00 C ATOM 724 CD2 TYR A 44 13.842 23.178 7.451 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.444 22.266 7.373 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.560 23.048 8.624 1.00 0.00 C ATOM 727 CZ TYR A 44 15.860 22.591 8.580 1.00 0.00 C ATOM 728 OH TYR A 44 16.580 22.460 9.745 1.00 0.00 O ATOM 0 H TYR A 44 16.190 24.470 4.221 1.00 0.00 H new ATOM 0 HA TYR A 44 13.565 24.103 3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.574 23.202 5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 44 13.641 22.056 4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.180 22.148 5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.824 23.535 7.489 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.462 21.908 7.342 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.106 23.303 9.570 1.00 0.00 H new ATOM 0 HH TYR A 44 16.024 22.731 10.505 1.00 0.00 H new ATOM 738 N ASP A 45 12.711 25.969 4.664 1.00 0.00 N ATOM 739 CA ASP A 45 12.392 27.257 5.269 1.00 0.00 C ATOM 740 C ASP A 45 12.283 27.133 6.785 1.00 0.00 C ATOM 741 O ASP A 45 11.305 26.595 7.304 1.00 0.00 O ATOM 742 CB ASP A 45 11.085 27.805 4.694 1.00 0.00 C ATOM 743 CG ASP A 45 11.085 29.318 4.596 1.00 0.00 C ATOM 744 OD1 ASP A 45 12.113 29.934 4.944 1.00 0.00 O ATOM 745 OD2 ASP A 45 10.056 29.885 4.172 1.00 0.00 O ATOM 0 H ASP A 45 11.918 25.501 4.226 1.00 0.00 H new ATOM 0 HA ASP A 45 13.201 27.950 5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.920 27.380 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.253 27.484 5.321 1.00 0.00 H new ATOM 750 N GLN A 46 13.294 27.633 7.489 1.00 0.00 N ATOM 751 CA GLN A 46 13.311 27.576 8.946 1.00 0.00 C ATOM 752 C GLN A 46 11.967 28.005 9.524 1.00 0.00 C ATOM 753 O GLN A 46 11.573 27.558 10.600 1.00 0.00 O ATOM 754 CB GLN A 46 14.425 28.468 9.499 1.00 0.00 C ATOM 755 CG GLN A 46 15.738 27.734 9.720 1.00 0.00 C ATOM 756 CD GLN A 46 15.940 26.592 8.744 1.00 0.00 C ATOM 757 OE1 GLN A 46 15.994 26.914 7.457 1.00 0.00 O flip ATOM 758 NE2 GLN A 46 16.046 25.431 9.142 1.00 0.00 N flip ATOM 0 H GLN A 46 14.111 28.082 7.074 1.00 0.00 H new ATOM 0 HA GLN A 46 13.500 26.544 9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.592 29.296 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.097 28.901 10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.564 28.439 9.625 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.766 27.346 10.738 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.999 25.228 10.140 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.181 24.673 8.473 1.00 0.00 H new ATOM 767 N GLN A 47 11.268 28.875 8.801 1.00 0.00 N ATOM 768 CA GLN A 47 9.967 29.364 9.244 1.00 0.00 C ATOM 769 C GLN A 47 8.871 28.349 8.939 1.00 0.00 C ATOM 770 O GLN A 47 7.909 28.216 9.694 1.00 0.00 O ATOM 771 CB GLN A 47 9.645 30.698 8.569 1.00 0.00 C ATOM 772 CG GLN A 47 10.878 31.483 8.150 1.00 0.00 C ATOM 773 CD GLN A 47 11.914 31.573 9.253 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.059 30.934 9.044 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 11.688 32.210 10.282 1.00 0.00 N flip ATOM 0 H GLN A 47 11.580 29.255 7.907 1.00 0.00 H new ATOM 0 HA GLN A 47 10.010 29.511 10.323 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.028 30.511 7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.052 31.307 9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.325 31.011 7.275 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.580 32.489 7.853 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.794 32.686 10.401 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.395 32.262 11.015 1.00 0.00 H new ATOM 784 N GLU A 48 9.024 27.634 7.829 1.00 0.00 N ATOM 785 CA GLU A 48 8.046 26.632 7.425 1.00 0.00 C ATOM 786 C GLU A 48 8.733 25.326 7.038 1.00 0.00 C ATOM 787 O GLU A 48 8.976 25.067 5.859 1.00 0.00 O ATOM 788 CB GLU A 48 7.208 27.147 6.253 1.00 0.00 C ATOM 789 CG GLU A 48 6.052 28.038 6.676 1.00 0.00 C ATOM 790 CD GLU A 48 5.172 28.444 5.510 1.00 0.00 C ATOM 791 OE1 GLU A 48 5.605 28.275 4.351 1.00 0.00 O ATOM 792 OE2 GLU A 48 4.049 28.932 5.757 1.00 0.00 O ATOM 0 H GLU A 48 9.816 27.730 7.194 1.00 0.00 H new ATOM 0 HA GLU A 48 7.390 26.440 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.853 27.702 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.815 26.296 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.448 27.515 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.445 28.933 7.158 1.00 0.00 H new ATOM 799 N GLN A 49 9.044 24.508 8.038 1.00 0.00 N ATOM 800 CA GLN A 49 9.704 23.230 7.803 1.00 0.00 C ATOM 801 C GLN A 49 8.920 22.388 6.801 1.00 0.00 C ATOM 802 O GLN A 49 9.454 21.448 6.212 1.00 0.00 O ATOM 803 CB GLN A 49 9.863 22.463 9.117 1.00 0.00 C ATOM 804 CG GLN A 49 10.469 23.295 10.236 1.00 0.00 C ATOM 805 CD GLN A 49 11.922 22.950 10.499 1.00 0.00 C ATOM 806 OE1 GLN A 49 12.417 21.915 10.051 1.00 0.00 O ATOM 807 NE2 GLN A 49 12.614 23.818 11.227 1.00 0.00 N ATOM 0 H GLN A 49 8.849 24.708 9.019 1.00 0.00 H new ATOM 0 HA GLN A 49 10.691 23.432 7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.887 22.097 9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.491 21.589 8.944 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.391 24.352 9.981 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.893 23.144 11.149 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.163 24.663 11.578 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.596 23.640 11.435 1.00 0.00 H new ATOM 816 N HIS A 50 7.650 22.731 6.614 1.00 0.00 N ATOM 817 CA HIS A 50 6.791 22.007 5.683 1.00 0.00 C ATOM 818 C HIS A 50 7.120 22.378 4.240 1.00 0.00 C ATOM 819 O HIS A 50 6.505 21.870 3.303 1.00 0.00 O ATOM 820 CB HIS A 50 5.320 22.305 5.975 1.00 0.00 C ATOM 821 CG HIS A 50 4.962 23.752 5.829 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.360 24.483 6.831 1.00 0.00 N ATOM 823 CD2 HIS A 50 5.124 24.603 4.789 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.167 25.722 6.414 1.00 0.00 C ATOM 825 NE2 HIS A 50 4.622 25.821 5.178 1.00 0.00 N ATOM 0 H HIS A 50 7.192 23.506 7.095 1.00 0.00 H new ATOM 0 HA HIS A 50 6.971 20.940 5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.698 21.715 5.302 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.087 21.982 6.990 1.00 0.00 H new ATOM 0 HD1 HIS A 50 4.104 24.124 7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.566 24.368 3.832 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.714 26.518 6.986 1.00 0.00 H new ATOM 833 N MET A 51 8.094 23.266 4.069 1.00 0.00 N ATOM 834 CA MET A 51 8.505 23.704 2.740 1.00 0.00 C ATOM 835 C MET A 51 10.009 23.535 2.553 1.00 0.00 C ATOM 836 O MET A 51 10.805 24.240 3.173 1.00 0.00 O ATOM 837 CB MET A 51 8.112 25.166 2.517 1.00 0.00 C ATOM 838 CG MET A 51 6.724 25.338 1.921 1.00 0.00 C ATOM 839 SD MET A 51 6.769 25.931 0.219 1.00 0.00 S ATOM 840 CE MET A 51 8.208 25.066 -0.403 1.00 0.00 C ATOM 0 H MET A 51 8.613 23.696 4.834 1.00 0.00 H new ATOM 0 HA MET A 51 7.994 23.082 2.005 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.158 25.695 3.469 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.843 25.633 1.857 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.197 24.385 1.956 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.155 26.039 2.531 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.162 25.020 -1.491 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.111 25.597 -0.100 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.228 24.055 0.003 1.00 0.00 H new ATOM 850 N VAL A 52 10.392 22.596 1.694 1.00 0.00 N ATOM 851 CA VAL A 52 11.801 22.335 1.425 1.00 0.00 C ATOM 852 C VAL A 52 12.332 23.259 0.334 1.00 0.00 C ATOM 853 O VAL A 52 11.647 23.531 -0.652 1.00 0.00 O ATOM 854 CB VAL A 52 12.030 20.873 0.999 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.506 20.619 0.732 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.501 19.920 2.061 1.00 0.00 C ATOM 0 H VAL A 52 9.746 22.003 1.172 1.00 0.00 H new ATOM 0 HA VAL A 52 12.341 22.524 2.353 1.00 0.00 H new ATOM 0 HB VAL A 52 11.482 20.692 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.648 19.581 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.850 21.277 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.079 20.817 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.671 18.891 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.020 20.100 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.432 20.085 2.199 1.00 0.00 H new ATOM 866 N TYR A 53 13.557 23.738 0.518 1.00 0.00 N ATOM 867 CA TYR A 53 14.181 24.634 -0.449 1.00 0.00 C ATOM 868 C TYR A 53 15.391 23.973 -1.103 1.00 0.00 C ATOM 869 O TYR A 53 16.487 24.534 -1.114 1.00 0.00 O ATOM 870 CB TYR A 53 14.602 25.938 0.229 1.00 0.00 C ATOM 871 CG TYR A 53 13.525 26.999 0.225 1.00 0.00 C ATOM 872 CD1 TYR A 53 12.915 27.392 -0.960 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.118 27.610 1.404 1.00 0.00 C ATOM 874 CE1 TYR A 53 11.931 28.361 -0.970 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.134 28.579 1.405 1.00 0.00 C ATOM 876 CZ TYR A 53 11.543 28.951 0.215 1.00 0.00 C ATOM 877 OH TYR A 53 10.563 29.917 0.211 1.00 0.00 O ATOM 0 H TYR A 53 14.138 23.521 1.328 1.00 0.00 H new ATOM 0 HA TYR A 53 13.448 24.857 -1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 53 14.887 25.726 1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.487 26.329 -0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.216 26.932 -1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.579 27.322 2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.468 28.655 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.829 29.043 2.331 1.00 0.00 H new ATOM 0 HH TYR A 53 10.408 30.229 1.127 1.00 0.00 H new ATOM 887 N CYS A 54 15.183 22.779 -1.646 1.00 0.00 N ATOM 888 CA CYS A 54 16.256 22.040 -2.301 1.00 0.00 C ATOM 889 C CYS A 54 17.165 22.982 -3.084 1.00 0.00 C ATOM 890 O CYS A 54 18.358 22.724 -3.237 1.00 0.00 O ATOM 891 CB CYS A 54 15.675 20.979 -3.237 1.00 0.00 C ATOM 892 SG CYS A 54 14.720 21.653 -4.616 1.00 0.00 S ATOM 0 H CYS A 54 14.281 22.302 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 54 16.849 21.549 -1.530 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.491 20.375 -3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.036 20.311 -2.659 1.00 0.00 H new ATOM 0 HG CYS A 54 14.662 22.948 -4.512 1.00 0.00 H new ATOM 898 N GLY A 55 16.592 24.075 -3.578 1.00 0.00 N ATOM 899 CA GLY A 55 17.365 25.038 -4.341 1.00 0.00 C ATOM 900 C GLY A 55 18.059 24.410 -5.533 1.00 0.00 C ATOM 901 O GLY A 55 17.466 24.266 -6.601 1.00 0.00 O ATOM 0 H GLY A 55 15.606 24.311 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.707 25.836 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.110 25.498 -3.691 1.00 0.00 H new ATOM 905 N GLY A 56 19.322 24.036 -5.352 1.00 0.00 N ATOM 906 CA GLY A 56 20.078 23.427 -6.431 1.00 0.00 C ATOM 907 C GLY A 56 20.975 22.305 -5.949 1.00 0.00 C ATOM 908 O GLY A 56 21.828 21.819 -6.692 1.00 0.00 O ATOM 0 H GLY A 56 19.835 24.144 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.388 23.040 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 56 20.685 24.189 -6.920 1.00 0.00 H new ATOM 912 N ASP A 57 20.785 21.893 -4.700 1.00 0.00 N ATOM 913 CA ASP A 57 21.585 20.821 -4.119 1.00 0.00 C ATOM 914 C ASP A 57 21.347 19.505 -4.853 1.00 0.00 C ATOM 915 O ASP A 57 20.532 19.435 -5.774 1.00 0.00 O ATOM 916 CB ASP A 57 21.256 20.657 -2.634 1.00 0.00 C ATOM 917 CG ASP A 57 22.496 20.655 -1.763 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.137 21.719 -1.640 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.827 19.587 -1.204 1.00 0.00 O ATOM 0 H ASP A 57 20.084 22.285 -4.071 1.00 0.00 H new ATOM 0 HA ASP A 57 22.636 21.089 -4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.596 21.466 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.711 19.725 -2.487 1.00 0.00 H new ATOM 924 N LEU A 58 22.063 18.465 -4.441 1.00 0.00 N ATOM 925 CA LEU A 58 21.930 17.151 -5.060 1.00 0.00 C ATOM 926 C LEU A 58 20.462 16.773 -5.226 1.00 0.00 C ATOM 927 O LEU A 58 20.008 16.473 -6.332 1.00 0.00 O ATOM 928 CB LEU A 58 22.648 16.094 -4.219 1.00 0.00 C ATOM 929 CG LEU A 58 24.002 15.620 -4.749 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.833 16.802 -5.225 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.749 14.836 -3.680 1.00 0.00 C ATOM 0 H LEU A 58 22.742 18.506 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 58 22.389 17.194 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.793 16.494 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.994 15.227 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 58 23.827 14.960 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.793 16.445 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.303 17.321 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.999 17.488 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.710 14.507 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.913 15.472 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.160 13.967 -3.388 1.00 0.00 H new ATOM 943 N LEU A 59 19.723 16.792 -4.123 1.00 0.00 N ATOM 944 CA LEU A 59 18.304 16.453 -4.146 1.00 0.00 C ATOM 945 C LEU A 59 17.531 17.409 -5.049 1.00 0.00 C ATOM 946 O LEU A 59 16.627 16.999 -5.776 1.00 0.00 O ATOM 947 CB LEU A 59 17.727 16.491 -2.730 1.00 0.00 C ATOM 948 CG LEU A 59 17.859 17.821 -1.987 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.521 18.542 -1.940 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.396 17.595 -0.581 1.00 0.00 C ATOM 0 H LEU A 59 20.082 17.039 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 59 18.203 15.444 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.670 16.231 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.217 15.717 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 59 18.567 18.449 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.635 19.486 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 59 16.177 18.738 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.790 17.920 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.484 18.552 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.713 16.948 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.377 17.123 -0.638 1.00 0.00 H new ATOM 962 N GLY A 60 17.895 18.687 -4.998 1.00 0.00 N ATOM 963 CA GLY A 60 17.227 19.682 -5.817 1.00 0.00 C ATOM 964 C GLY A 60 17.337 19.381 -7.299 1.00 0.00 C ATOM 965 O GLY A 60 16.339 19.406 -8.019 1.00 0.00 O ATOM 0 H GLY A 60 18.640 19.051 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.175 19.732 -5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.658 20.663 -5.616 1.00 0.00 H new ATOM 969 N GLU A 61 18.553 19.098 -7.755 1.00 0.00 N ATOM 970 CA GLU A 61 18.789 18.795 -9.162 1.00 0.00 C ATOM 971 C GLU A 61 18.155 17.460 -9.544 1.00 0.00 C ATOM 972 O GLU A 61 17.651 17.295 -10.655 1.00 0.00 O ATOM 973 CB GLU A 61 20.290 18.761 -9.454 1.00 0.00 C ATOM 974 CG GLU A 61 21.035 19.987 -8.954 1.00 0.00 C ATOM 975 CD GLU A 61 20.364 21.284 -9.361 1.00 0.00 C ATOM 976 OE1 GLU A 61 19.219 21.523 -8.921 1.00 0.00 O ATOM 977 OE2 GLU A 61 20.981 22.061 -10.120 1.00 0.00 O ATOM 0 H GLU A 61 19.389 19.072 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 61 18.328 19.581 -9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.721 17.872 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.440 18.668 -10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 61 21.107 19.945 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 61 22.053 19.972 -9.342 1.00 0.00 H new ATOM 984 N LEU A 62 18.185 16.511 -8.615 1.00 0.00 N ATOM 985 CA LEU A 62 17.614 15.189 -8.853 1.00 0.00 C ATOM 986 C LEU A 62 16.101 15.273 -9.030 1.00 0.00 C ATOM 987 O LEU A 62 15.518 14.541 -9.830 1.00 0.00 O ATOM 988 CB LEU A 62 17.953 14.249 -7.695 1.00 0.00 C ATOM 989 CG LEU A 62 18.508 12.879 -8.083 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.511 12.124 -8.949 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.839 13.027 -8.805 1.00 0.00 C ATOM 0 H LEU A 62 18.598 16.632 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 62 18.047 14.793 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.681 14.745 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.052 14.099 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 62 18.674 12.305 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.924 11.151 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.582 11.985 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.312 12.694 -9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 62 20.219 12.041 -9.073 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.699 13.620 -9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.554 13.526 -8.151 1.00 0.00 H new ATOM 1003 N LEU A 63 15.473 16.171 -8.279 1.00 0.00 N ATOM 1004 CA LEU A 63 14.027 16.353 -8.354 1.00 0.00 C ATOM 1005 C LEU A 63 13.644 17.165 -9.586 1.00 0.00 C ATOM 1006 O LEU A 63 12.655 16.868 -10.256 1.00 0.00 O ATOM 1007 CB LEU A 63 13.515 17.047 -7.091 1.00 0.00 C ATOM 1008 CG LEU A 63 12.601 16.215 -6.190 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.804 16.592 -4.731 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.145 16.397 -6.593 1.00 0.00 C ATOM 0 H LEU A 63 15.941 16.784 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 63 13.565 15.369 -8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.375 17.369 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.977 17.947 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 63 12.861 15.164 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.146 15.990 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.841 16.409 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.571 17.648 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.509 15.798 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.871 17.448 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.011 16.076 -7.626 1.00 0.00 H new ATOM 1022 N GLY A 64 14.434 18.193 -9.881 1.00 0.00 N ATOM 1023 CA GLY A 64 14.162 19.031 -11.034 1.00 0.00 C ATOM 1024 C GLY A 64 13.485 20.334 -10.656 1.00 0.00 C ATOM 1025 O GLY A 64 13.368 21.242 -11.480 1.00 0.00 O ATOM 0 H GLY A 64 15.258 18.460 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.097 19.247 -11.551 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.529 18.486 -11.734 1.00 0.00 H new ATOM 1029 N ARG A 65 13.038 20.427 -9.409 1.00 0.00 N ATOM 1030 CA ARG A 65 12.367 21.627 -8.925 1.00 0.00 C ATOM 1031 C ARG A 65 13.283 22.429 -8.005 1.00 0.00 C ATOM 1032 O ARG A 65 14.164 21.871 -7.351 1.00 0.00 O ATOM 1033 CB ARG A 65 11.081 21.255 -8.184 1.00 0.00 C ATOM 1034 CG ARG A 65 10.504 19.913 -8.602 1.00 0.00 C ATOM 1035 CD ARG A 65 10.488 19.761 -10.115 1.00 0.00 C ATOM 1036 NE ARG A 65 10.456 21.053 -10.795 1.00 0.00 N ATOM 1037 CZ ARG A 65 9.401 21.861 -10.789 1.00 0.00 C ATOM 1038 NH1 ARG A 65 8.298 21.511 -10.141 1.00 0.00 N ATOM 1039 NH2 ARG A 65 9.449 23.021 -11.431 1.00 0.00 N ATOM 0 H ARG A 65 13.128 19.685 -8.715 1.00 0.00 H new ATOM 0 HA ARG A 65 12.116 22.245 -9.787 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.281 21.237 -7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.335 22.031 -8.356 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.093 19.109 -8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.490 19.815 -8.215 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.371 19.206 -10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.619 19.174 -10.411 1.00 0.00 H new ATOM 0 HE ARG A 65 11.289 21.352 -11.302 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.258 20.620 -9.646 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.489 22.133 -10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.296 23.293 -11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.639 23.641 -11.426 1.00 0.00 H new ATOM 1053 N GLN A 66 13.068 23.740 -7.961 1.00 0.00 N ATOM 1054 CA GLN A 66 13.875 24.618 -7.122 1.00 0.00 C ATOM 1055 C GLN A 66 13.558 24.404 -5.646 1.00 0.00 C ATOM 1056 O GLN A 66 14.443 24.473 -4.794 1.00 0.00 O ATOM 1057 CB GLN A 66 13.636 26.081 -7.501 1.00 0.00 C ATOM 1058 CG GLN A 66 13.850 26.370 -8.978 1.00 0.00 C ATOM 1059 CD GLN A 66 14.207 27.819 -9.243 1.00 0.00 C ATOM 1060 OE1 GLN A 66 13.382 28.716 -9.068 1.00 0.00 O ATOM 1061 NE2 GLN A 66 15.443 28.057 -9.667 1.00 0.00 N ATOM 0 H GLN A 66 12.342 24.217 -8.496 1.00 0.00 H new ATOM 0 HA GLN A 66 14.924 24.374 -7.288 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.617 26.356 -7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.303 26.713 -6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.645 25.728 -9.358 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.944 26.116 -9.529 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.095 27.284 -9.799 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.740 29.013 -9.861 1.00 0.00 H new ATOM 1070 N SER A 67 12.288 24.146 -5.350 1.00 0.00 N ATOM 1071 CA SER A 67 11.852 23.926 -3.976 1.00 0.00 C ATOM 1072 C SER A 67 10.555 23.124 -3.939 1.00 0.00 C ATOM 1073 O SER A 67 9.643 23.359 -4.733 1.00 0.00 O ATOM 1074 CB SER A 67 11.659 25.264 -3.260 1.00 0.00 C ATOM 1075 OG SER A 67 10.495 25.926 -3.721 1.00 0.00 O ATOM 0 H SER A 67 11.543 24.084 -6.044 1.00 0.00 H new ATOM 0 HA SER A 67 12.626 23.355 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.585 25.097 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.531 25.897 -3.425 1.00 0.00 H new ATOM 0 HG SER A 67 10.393 26.778 -3.247 1.00 0.00 H new ATOM 1081 N PHE A 68 10.479 22.176 -3.011 1.00 0.00 N ATOM 1082 CA PHE A 68 9.294 21.338 -2.869 1.00 0.00 C ATOM 1083 C PHE A 68 8.796 21.339 -1.427 1.00 0.00 C ATOM 1084 O PHE A 68 9.561 21.586 -0.495 1.00 0.00 O ATOM 1085 CB PHE A 68 9.599 19.906 -3.314 1.00 0.00 C ATOM 1086 CG PHE A 68 10.595 19.205 -2.435 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.200 18.637 -1.235 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.926 19.115 -2.809 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.114 17.991 -0.423 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.844 18.470 -2.002 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.438 17.908 -0.807 1.00 0.00 C ATOM 0 H PHE A 68 11.224 21.969 -2.346 1.00 0.00 H new ATOM 0 HA PHE A 68 8.511 21.750 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.672 19.333 -3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.978 19.924 -4.336 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.166 18.699 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.250 19.554 -3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.793 17.552 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.878 18.405 -2.305 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.154 17.405 -0.175 1.00 0.00 H new ATOM 1101 N SER A 69 7.507 21.062 -1.252 1.00 0.00 N ATOM 1102 CA SER A 69 6.905 21.035 0.076 1.00 0.00 C ATOM 1103 C SER A 69 6.857 19.612 0.622 1.00 0.00 C ATOM 1104 O SER A 69 6.566 18.664 -0.107 1.00 0.00 O ATOM 1105 CB SER A 69 5.493 21.624 0.031 1.00 0.00 C ATOM 1106 OG SER A 69 5.529 23.016 -0.229 1.00 0.00 O ATOM 0 H SER A 69 6.860 20.853 -2.013 1.00 0.00 H new ATOM 0 HA SER A 69 7.523 21.640 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.911 21.122 -0.741 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.989 21.441 0.980 1.00 0.00 H new ATOM 0 HG SER A 69 4.615 23.368 -0.254 1.00 0.00 H new ATOM 1112 N VAL A 70 7.146 19.469 1.912 1.00 0.00 N ATOM 1113 CA VAL A 70 7.136 18.162 2.558 1.00 0.00 C ATOM 1114 C VAL A 70 5.712 17.707 2.854 1.00 0.00 C ATOM 1115 O VAL A 70 5.373 16.537 2.678 1.00 0.00 O ATOM 1116 CB VAL A 70 7.941 18.179 3.871 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.983 19.287 3.845 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.011 18.339 5.064 1.00 0.00 C ATOM 0 H VAL A 70 7.390 20.243 2.530 1.00 0.00 H new ATOM 0 HA VAL A 70 7.601 17.462 1.864 1.00 0.00 H new ATOM 0 HB VAL A 70 8.461 17.226 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.542 19.283 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.668 19.123 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.487 20.250 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.597 18.349 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.461 19.276 4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.307 17.507 5.091 1.00 0.00 H new ATOM 1128 N LYS A 71 4.880 18.640 3.304 1.00 0.00 N ATOM 1129 CA LYS A 71 3.490 18.337 3.624 1.00 0.00 C ATOM 1130 C LYS A 71 2.718 17.936 2.370 1.00 0.00 C ATOM 1131 O LYS A 71 1.586 17.460 2.453 1.00 0.00 O ATOM 1132 CB LYS A 71 2.821 19.545 4.283 1.00 0.00 C ATOM 1133 CG LYS A 71 1.916 19.180 5.447 1.00 0.00 C ATOM 1134 CD LYS A 71 1.282 20.413 6.069 1.00 0.00 C ATOM 1135 CE LYS A 71 2.143 20.979 7.188 1.00 0.00 C ATOM 1136 NZ LYS A 71 1.412 21.999 7.989 1.00 0.00 N ATOM 0 H LYS A 71 5.144 19.613 3.456 1.00 0.00 H new ATOM 0 HA LYS A 71 3.478 17.499 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.593 20.230 4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.237 20.080 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.135 18.502 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.491 18.645 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.134 21.173 5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.297 20.159 6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.468 20.169 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.042 21.426 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.033 22.360 8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.124 22.784 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.568 21.566 8.415 1.00 0.00 H new ATOM 1150 N ASP A 72 3.339 18.130 1.212 1.00 0.00 N ATOM 1151 CA ASP A 72 2.711 17.787 -0.059 1.00 0.00 C ATOM 1152 C ASP A 72 3.585 16.820 -0.852 1.00 0.00 C ATOM 1153 O ASP A 72 4.458 17.223 -1.621 1.00 0.00 O ATOM 1154 CB ASP A 72 2.449 19.049 -0.881 1.00 0.00 C ATOM 1155 CG ASP A 72 1.693 18.760 -2.162 1.00 0.00 C ATOM 1156 OD1 ASP A 72 1.048 17.693 -2.243 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.746 19.600 -3.084 1.00 0.00 O ATOM 0 H ASP A 72 4.276 18.523 1.127 1.00 0.00 H new ATOM 0 HA ASP A 72 1.760 17.299 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.881 19.759 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.399 19.525 -1.123 1.00 0.00 H new ATOM 1162 N PRO A 73 3.346 15.514 -0.663 1.00 0.00 N ATOM 1163 CA PRO A 73 4.101 14.463 -1.351 1.00 0.00 C ATOM 1164 C PRO A 73 3.785 14.405 -2.842 1.00 0.00 C ATOM 1165 O PRO A 73 3.324 13.382 -3.349 1.00 0.00 O ATOM 1166 CB PRO A 73 3.639 13.180 -0.656 1.00 0.00 C ATOM 1167 CG PRO A 73 2.285 13.504 -0.125 1.00 0.00 C ATOM 1168 CD PRO A 73 2.320 14.962 0.239 1.00 0.00 C ATOM 0 HA PRO A 73 5.177 14.630 -1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.601 12.343 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.321 12.896 0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.516 13.307 -0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.050 12.890 0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.352 15.438 0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.585 15.109 1.286 1.00 0.00 H new ATOM 1176 N SER A 74 4.036 15.508 -3.539 1.00 0.00 N ATOM 1177 CA SER A 74 3.775 15.583 -4.972 1.00 0.00 C ATOM 1178 C SER A 74 5.046 15.311 -5.771 1.00 0.00 C ATOM 1179 O SER A 74 5.192 14.275 -6.420 1.00 0.00 O ATOM 1180 CB SER A 74 3.214 16.958 -5.338 1.00 0.00 C ATOM 1181 OG SER A 74 1.802 16.917 -5.457 1.00 0.00 O ATOM 0 H SER A 74 4.420 16.362 -3.135 1.00 0.00 H new ATOM 0 HA SER A 74 3.039 14.819 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.497 17.684 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.652 17.295 -6.278 1.00 0.00 H new ATOM 0 HG SER A 74 1.467 17.808 -5.690 1.00 0.00 H new ATOM 1187 N PRO A 75 5.990 16.263 -5.722 1.00 0.00 N ATOM 1188 CA PRO A 75 7.266 16.150 -6.435 1.00 0.00 C ATOM 1189 C PRO A 75 8.174 15.083 -5.832 1.00 0.00 C ATOM 1190 O PRO A 75 9.006 14.498 -6.527 1.00 0.00 O ATOM 1191 CB PRO A 75 7.889 17.538 -6.268 1.00 0.00 C ATOM 1192 CG PRO A 75 7.279 18.081 -5.022 1.00 0.00 C ATOM 1193 CD PRO A 75 5.883 17.523 -4.968 1.00 0.00 C ATOM 0 HA PRO A 75 7.128 15.852 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.974 17.477 -6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.671 18.175 -7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.853 17.783 -4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.264 19.171 -5.038 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.558 17.351 -3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.161 18.202 -5.421 1.00 0.00 H new ATOM 1201 N LEU A 76 8.008 14.834 -4.538 1.00 0.00 N ATOM 1202 CA LEU A 76 8.813 13.837 -3.842 1.00 0.00 C ATOM 1203 C LEU A 76 8.667 12.466 -4.496 1.00 0.00 C ATOM 1204 O LEU A 76 9.658 11.829 -4.853 1.00 0.00 O ATOM 1205 CB LEU A 76 8.402 13.758 -2.370 1.00 0.00 C ATOM 1206 CG LEU A 76 9.190 12.773 -1.505 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.321 13.486 -0.781 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.269 12.082 -0.511 1.00 0.00 C ATOM 0 H LEU A 76 7.323 15.309 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 76 9.858 14.141 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.498 14.752 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.347 13.489 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 76 9.624 12.014 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.871 12.770 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.995 13.933 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.909 14.267 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.846 11.385 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.806 12.828 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.494 11.538 -1.051 1.00 0.00 H new ATOM 1220 N TYR A 77 7.425 12.020 -4.652 1.00 0.00 N ATOM 1221 CA TYR A 77 7.150 10.726 -5.263 1.00 0.00 C ATOM 1222 C TYR A 77 7.556 10.720 -6.734 1.00 0.00 C ATOM 1223 O TYR A 77 8.003 9.702 -7.262 1.00 0.00 O ATOM 1224 CB TYR A 77 5.665 10.382 -5.132 1.00 0.00 C ATOM 1225 CG TYR A 77 5.304 9.756 -3.803 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.616 8.430 -3.531 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.650 10.490 -2.822 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.287 7.854 -2.319 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.319 9.923 -1.607 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.639 8.604 -1.360 1.00 0.00 C ATOM 1231 OH TYR A 77 4.310 8.035 -0.152 1.00 0.00 O ATOM 0 H TYR A 77 6.594 12.536 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 77 7.739 9.973 -4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.077 11.290 -5.269 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.387 9.698 -5.934 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.124 7.840 -4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.396 11.522 -3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.536 6.821 -2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.812 10.509 -0.854 1.00 0.00 H new ATOM 0 HH TYR A 77 3.859 8.699 0.410 1.00 0.00 H new ATOM 1241 N ASP A 78 7.398 11.865 -7.389 1.00 0.00 N ATOM 1242 CA ASP A 78 7.750 11.994 -8.798 1.00 0.00 C ATOM 1243 C ASP A 78 9.231 11.701 -9.018 1.00 0.00 C ATOM 1244 O ASP A 78 9.598 10.963 -9.931 1.00 0.00 O ATOM 1245 CB ASP A 78 7.415 13.399 -9.302 1.00 0.00 C ATOM 1246 CG ASP A 78 6.866 13.391 -10.715 1.00 0.00 C ATOM 1247 OD1 ASP A 78 5.732 12.905 -10.909 1.00 0.00 O ATOM 1248 OD2 ASP A 78 7.571 13.871 -11.629 1.00 0.00 O ATOM 0 H ASP A 78 7.029 12.717 -6.967 1.00 0.00 H new ATOM 0 HA ASP A 78 7.167 11.265 -9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.685 13.857 -8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.312 14.018 -9.267 1.00 0.00 H new ATOM 1253 N MET A 79 10.076 12.286 -8.175 1.00 0.00 N ATOM 1254 CA MET A 79 11.517 12.088 -8.278 1.00 0.00 C ATOM 1255 C MET A 79 11.900 10.668 -7.872 1.00 0.00 C ATOM 1256 O MET A 79 12.617 9.976 -8.596 1.00 0.00 O ATOM 1257 CB MET A 79 12.257 13.099 -7.400 1.00 0.00 C ATOM 1258 CG MET A 79 13.759 12.873 -7.347 1.00 0.00 C ATOM 1259 SD MET A 79 14.453 13.206 -5.716 1.00 0.00 S ATOM 1260 CE MET A 79 13.435 12.146 -4.692 1.00 0.00 C ATOM 0 H MET A 79 9.788 12.901 -7.414 1.00 0.00 H new ATOM 0 HA MET A 79 11.806 12.241 -9.318 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.062 14.104 -7.774 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.855 13.052 -6.388 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.978 11.843 -7.627 1.00 0.00 H new ATOM 0 HG3 MET A 79 14.245 13.514 -8.083 1.00 0.00 H new ATOM 0 HE1 MET A 79 14.004 11.830 -3.818 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.549 12.693 -4.370 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.132 11.269 -5.264 1.00 0.00 H new ATOM 1270 N LEU A 80 11.419 10.240 -6.710 1.00 0.00 N ATOM 1271 CA LEU A 80 11.711 8.902 -6.207 1.00 0.00 C ATOM 1272 C LEU A 80 11.304 7.838 -7.221 1.00 0.00 C ATOM 1273 O LEU A 80 12.002 6.840 -7.403 1.00 0.00 O ATOM 1274 CB LEU A 80 10.986 8.664 -4.882 1.00 0.00 C ATOM 1275 CG LEU A 80 11.357 9.606 -3.735 1.00 0.00 C ATOM 1276 CD1 LEU A 80 10.371 9.462 -2.586 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.776 9.333 -3.259 1.00 0.00 C ATOM 0 H LEU A 80 10.825 10.800 -6.098 1.00 0.00 H new ATOM 0 HA LEU A 80 12.786 8.829 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.913 8.744 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.181 7.640 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 80 11.309 10.631 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.651 10.140 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.368 9.707 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.387 8.436 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.023 10.012 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.851 8.303 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.472 9.488 -4.083 1.00 0.00 H new ATOM 1289 N ARG A 81 10.171 8.059 -7.880 1.00 0.00 N ATOM 1290 CA ARG A 81 9.671 7.120 -8.876 1.00 0.00 C ATOM 1291 C ARG A 81 10.822 6.487 -9.653 1.00 0.00 C ATOM 1292 O ARG A 81 10.959 5.264 -9.696 1.00 0.00 O ATOM 1293 CB ARG A 81 8.718 7.826 -9.842 1.00 0.00 C ATOM 1294 CG ARG A 81 7.605 6.932 -10.364 1.00 0.00 C ATOM 1295 CD ARG A 81 7.292 7.227 -11.823 1.00 0.00 C ATOM 1296 NE ARG A 81 7.078 6.006 -12.595 1.00 0.00 N ATOM 1297 CZ ARG A 81 6.506 5.984 -13.793 1.00 0.00 C ATOM 1298 NH1 ARG A 81 6.092 7.112 -14.354 1.00 0.00 N ATOM 1299 NH2 ARG A 81 6.347 4.833 -14.433 1.00 0.00 N ATOM 0 H ARG A 81 9.582 8.880 -7.742 1.00 0.00 H new ATOM 0 HA ARG A 81 9.130 6.331 -8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.276 8.686 -9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.290 8.210 -10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.896 5.887 -10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.708 7.076 -9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.403 7.854 -11.883 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.113 7.794 -12.262 1.00 0.00 H new ATOM 0 HE ARG A 81 7.385 5.121 -12.191 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.213 7.999 -13.865 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.653 7.093 -15.274 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.664 3.963 -14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.907 4.818 -15.353 1.00 0.00 H new ATOM 1313 N LYS A 82 11.647 7.328 -10.267 1.00 0.00 N ATOM 1314 CA LYS A 82 12.787 6.853 -11.042 1.00 0.00 C ATOM 1315 C LYS A 82 14.098 7.156 -10.323 1.00 0.00 C ATOM 1316 O LYS A 82 15.175 6.809 -10.804 1.00 0.00 O ATOM 1317 CB LYS A 82 12.793 7.500 -12.429 1.00 0.00 C ATOM 1318 CG LYS A 82 13.726 8.693 -12.540 1.00 0.00 C ATOM 1319 CD LYS A 82 13.290 9.828 -11.628 1.00 0.00 C ATOM 1320 CE LYS A 82 11.901 10.331 -11.989 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.709 11.756 -11.603 1.00 0.00 N ATOM 0 H LYS A 82 11.547 8.343 -10.243 1.00 0.00 H new ATOM 0 HA LYS A 82 12.694 5.773 -11.152 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.083 6.753 -13.168 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.780 7.817 -12.677 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.740 8.388 -12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.750 9.043 -13.572 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.297 9.487 -10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.005 10.648 -11.699 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.742 10.221 -13.062 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.151 9.716 -11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.899 11.834 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.566 12.106 -11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.527 12.325 -12.454 1.00 0.00 H new ATOM 1335 N ASN A 83 13.998 7.805 -9.167 1.00 0.00 N ATOM 1336 CA ASN A 83 15.176 8.154 -8.382 1.00 0.00 C ATOM 1337 C ASN A 83 15.430 7.116 -7.292 1.00 0.00 C ATOM 1338 O ASN A 83 16.547 6.619 -7.141 1.00 0.00 O ATOM 1339 CB ASN A 83 15.004 9.538 -7.753 1.00 0.00 C ATOM 1340 CG ASN A 83 16.215 9.960 -6.944 1.00 0.00 C ATOM 1341 OD1 ASN A 83 17.336 9.989 -7.452 1.00 0.00 O ATOM 1342 ND2 ASN A 83 15.994 10.290 -5.676 1.00 0.00 N ATOM 0 H ASN A 83 13.113 8.100 -8.754 1.00 0.00 H new ATOM 0 HA ASN A 83 16.036 8.171 -9.051 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.822 10.271 -8.539 1.00 0.00 H new ATOM 0 HB3 ASN A 83 14.124 9.535 -7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.770 10.582 -5.082 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.048 10.251 -5.296 1.00 0.00 H new ATOM 1349 N LEU A 84 14.387 6.793 -6.536 1.00 0.00 N ATOM 1350 CA LEU A 84 14.496 5.814 -5.460 1.00 0.00 C ATOM 1351 C LEU A 84 13.997 4.446 -5.916 1.00 0.00 C ATOM 1352 O LEU A 84 12.799 4.167 -5.880 1.00 0.00 O ATOM 1353 CB LEU A 84 13.700 6.278 -4.239 1.00 0.00 C ATOM 1354 CG LEU A 84 14.381 6.088 -2.883 1.00 0.00 C ATOM 1355 CD1 LEU A 84 15.357 4.923 -2.933 1.00 0.00 C ATOM 1356 CD2 LEU A 84 15.095 7.365 -2.461 1.00 0.00 C ATOM 0 H LEU A 84 13.456 7.195 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 84 15.548 5.725 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.468 7.336 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.750 5.743 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 84 13.614 5.861 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.831 4.804 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.820 4.010 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.120 5.119 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.574 7.212 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.851 7.622 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.372 8.177 -2.383 1.00 0.00 H new ATOM 1368 N VAL A 85 14.925 3.596 -6.344 1.00 0.00 N ATOM 1369 CA VAL A 85 14.581 2.256 -6.804 1.00 0.00 C ATOM 1370 C VAL A 85 13.452 1.661 -5.969 1.00 0.00 C ATOM 1371 O VAL A 85 13.392 1.859 -4.755 1.00 0.00 O ATOM 1372 CB VAL A 85 15.798 1.313 -6.748 1.00 0.00 C ATOM 1373 CG1 VAL A 85 15.347 -0.137 -6.664 1.00 0.00 C ATOM 1374 CG2 VAL A 85 16.696 1.532 -7.956 1.00 0.00 C ATOM 0 H VAL A 85 15.921 3.812 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 85 14.252 2.352 -7.839 1.00 0.00 H new ATOM 0 HB VAL A 85 16.372 1.542 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.220 -0.788 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 85 14.748 -0.280 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 85 14.749 -0.384 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.551 0.858 -7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.134 1.331 -8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.047 2.564 -7.966 1.00 0.00 H new ATOM 1499 N PHE B 119 9.929 19.524 11.878 1.00 0.00 N ATOM 1500 CA PHE B 119 10.164 18.526 10.842 1.00 0.00 C ATOM 1501 C PHE B 119 10.210 17.122 11.439 1.00 0.00 C ATOM 1502 O PHE B 119 9.815 16.149 10.796 1.00 0.00 O ATOM 1503 CB PHE B 119 11.472 18.822 10.105 1.00 0.00 C ATOM 1504 CG PHE B 119 11.540 18.210 8.735 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.451 18.269 7.881 1.00 0.00 C ATOM 1506 CD2 PHE B 119 12.694 17.577 8.302 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.512 17.706 6.620 1.00 0.00 C ATOM 1508 CE2 PHE B 119 12.761 17.013 7.042 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.668 17.078 6.200 1.00 0.00 C ATOM 0 HA PHE B 119 9.337 18.574 10.133 1.00 0.00 H new ATOM 0 HB2 PHE B 119 11.595 19.902 10.018 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.307 18.453 10.701 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.545 18.760 8.204 1.00 0.00 H new ATOM 0 HD2 PHE B 119 13.551 17.524 8.957 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.656 17.757 5.964 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.666 16.522 6.716 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.717 16.638 5.215 1.00 0.00 H new ATOM 1519 N SER B 120 10.696 17.026 12.672 1.00 0.00 N ATOM 1520 CA SER B 120 10.798 15.742 13.355 1.00 0.00 C ATOM 1521 C SER B 120 9.414 15.180 13.667 1.00 0.00 C ATOM 1522 O SER B 120 9.230 13.966 13.756 1.00 0.00 O ATOM 1523 CB SER B 120 11.604 15.891 14.648 1.00 0.00 C ATOM 1524 OG SER B 120 12.685 14.975 14.683 1.00 0.00 O ATOM 0 H SER B 120 11.025 17.822 13.218 1.00 0.00 H new ATOM 0 HA SER B 120 11.312 15.046 12.692 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.984 16.910 14.728 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.954 15.724 15.507 1.00 0.00 H new ATOM 0 HG SER B 120 13.185 15.091 15.518 1.00 0.00 H new ATOM 1530 N ASP B 121 8.444 16.073 13.832 1.00 0.00 N ATOM 1531 CA ASP B 121 7.076 15.668 14.133 1.00 0.00 C ATOM 1532 C ASP B 121 6.178 15.836 12.911 1.00 0.00 C ATOM 1533 O ASP B 121 5.054 15.333 12.879 1.00 0.00 O ATOM 1534 CB ASP B 121 6.525 16.486 15.302 1.00 0.00 C ATOM 1535 CG ASP B 121 5.336 15.819 15.966 1.00 0.00 C ATOM 1536 OD1 ASP B 121 5.552 14.992 16.877 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.190 16.125 15.576 1.00 0.00 O ATOM 0 H ASP B 121 8.580 17.082 13.762 1.00 0.00 H new ATOM 0 HA ASP B 121 7.088 14.614 14.411 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.313 16.636 16.040 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.231 17.473 14.945 1.00 0.00 H new ATOM 1542 N LEU B 122 6.681 16.546 11.907 1.00 0.00 N ATOM 1543 CA LEU B 122 5.925 16.781 10.682 1.00 0.00 C ATOM 1544 C LEU B 122 6.411 15.870 9.559 1.00 0.00 C ATOM 1545 O LEU B 122 5.616 15.189 8.912 1.00 0.00 O ATOM 1546 CB LEU B 122 6.048 18.245 10.256 1.00 0.00 C ATOM 1547 CG LEU B 122 4.750 18.930 9.826 1.00 0.00 C ATOM 1548 CD1 LEU B 122 4.026 19.507 11.032 1.00 0.00 C ATOM 1549 CD2 LEU B 122 5.036 20.018 8.802 1.00 0.00 C ATOM 0 H LEU B 122 7.609 16.969 11.917 1.00 0.00 H new ATOM 0 HA LEU B 122 4.878 16.554 10.882 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.476 18.809 11.085 1.00 0.00 H new ATOM 0 HB3 LEU B 122 6.757 18.304 9.430 1.00 0.00 H new ATOM 0 HG LEU B 122 4.104 18.184 9.363 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.105 19.990 10.706 1.00 0.00 H new ATOM 0 HD12 LEU B 122 3.788 18.705 11.731 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.666 20.239 11.524 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.101 20.495 8.507 1.00 0.00 H new ATOM 0 HD22 LEU B 122 5.701 20.763 9.239 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.511 19.577 7.925 1.00 0.00 H new ATOM 1561 N TRP B 123 7.720 15.863 9.335 1.00 0.00 N ATOM 1562 CA TRP B 123 8.312 15.034 8.291 1.00 0.00 C ATOM 1563 C TRP B 123 7.582 13.700 8.176 1.00 0.00 C ATOM 1564 O TRP B 123 7.054 13.359 7.118 1.00 0.00 O ATOM 1565 CB TRP B 123 9.794 14.795 8.581 1.00 0.00 C ATOM 1566 CG TRP B 123 10.455 13.889 7.586 1.00 0.00 C ATOM 1567 CD1 TRP B 123 11.162 12.752 7.856 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.473 14.046 6.163 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.617 12.193 6.687 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.207 12.967 5.634 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.938 14.992 5.285 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.420 12.811 4.267 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.150 14.836 3.928 1.00 0.00 C ATOM 1574 CH2 TRP B 123 10.885 13.752 3.430 1.00 0.00 C ATOM 0 H TRP B 123 8.391 16.422 9.862 1.00 0.00 H new ATOM 0 HA TRP B 123 8.215 15.563 7.343 1.00 0.00 H new ATOM 0 HB2 TRP B 123 10.314 15.753 8.591 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.897 14.366 9.578 1.00 0.00 H new ATOM 0 HD1 TRP B 123 11.337 12.351 8.844 1.00 0.00 H new ATOM 0 HE1 TRP B 123 12.171 11.339 6.615 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.369 15.830 5.660 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.987 11.977 3.881 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.742 15.562 3.240 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.032 13.657 2.364 1.00 0.00 H new ATOM 1585 N LYS B 124 7.556 12.949 9.272 1.00 0.00 N ATOM 1586 CA LYS B 124 6.889 11.652 9.295 1.00 0.00 C ATOM 1587 C LYS B 124 5.466 11.762 8.756 1.00 0.00 C ATOM 1588 O LYS B 124 4.994 10.880 8.037 1.00 0.00 O ATOM 1589 CB LYS B 124 6.865 11.093 10.719 1.00 0.00 C ATOM 1590 CG LYS B 124 5.929 11.843 11.651 1.00 0.00 C ATOM 1591 CD LYS B 124 6.168 11.467 13.103 1.00 0.00 C ATOM 1592 CE LYS B 124 5.180 10.411 13.576 1.00 0.00 C ATOM 1593 NZ LYS B 124 4.811 10.598 15.006 1.00 0.00 N ATOM 0 H LYS B 124 7.989 13.216 10.156 1.00 0.00 H new ATOM 0 HA LYS B 124 7.450 10.972 8.654 1.00 0.00 H new ATOM 0 HB2 LYS B 124 6.567 10.045 10.684 1.00 0.00 H new ATOM 0 HB3 LYS B 124 7.874 11.124 11.129 1.00 0.00 H new ATOM 0 HG2 LYS B 124 6.071 12.916 11.524 1.00 0.00 H new ATOM 0 HG3 LYS B 124 4.895 11.624 11.383 1.00 0.00 H new ATOM 0 HD2 LYS B 124 7.185 11.093 13.220 1.00 0.00 H new ATOM 0 HD3 LYS B 124 6.080 12.355 13.729 1.00 0.00 H new ATOM 0 HE2 LYS B 124 4.281 10.453 12.961 1.00 0.00 H new ATOM 0 HE3 LYS B 124 5.614 9.420 13.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.137 9.859 15.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 5.665 10.533 15.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 4.373 11.533 15.132 1.00 0.00 H new ATOM 1607 N LEU B 125 4.788 12.849 9.107 1.00 0.00 N ATOM 1608 CA LEU B 125 3.419 13.075 8.657 1.00 0.00 C ATOM 1609 C LEU B 125 3.224 12.570 7.231 1.00 0.00 C ATOM 1610 O LEU B 125 2.152 12.078 6.876 1.00 0.00 O ATOM 1611 CB LEU B 125 3.075 14.563 8.735 1.00 0.00 C ATOM 1612 CG LEU B 125 1.585 14.909 8.717 1.00 0.00 C ATOM 1613 CD1 LEU B 125 1.299 16.082 9.642 1.00 0.00 C ATOM 1614 CD2 LEU B 125 1.128 15.221 7.300 1.00 0.00 C ATOM 0 H LEU B 125 5.164 13.588 9.702 1.00 0.00 H new ATOM 0 HA LEU B 125 2.750 12.519 9.314 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.511 14.969 9.648 1.00 0.00 H new ATOM 0 HB3 LEU B 125 3.556 15.071 7.899 1.00 0.00 H new ATOM 0 HG LEU B 125 1.026 14.045 9.076 1.00 0.00 H new ATOM 0 HD11 LEU B 125 0.234 16.314 9.617 1.00 0.00 H new ATOM 0 HD12 LEU B 125 1.589 15.822 10.660 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.868 16.952 9.313 1.00 0.00 H new ATOM 0 HD21 LEU B 125 0.066 15.465 7.306 1.00 0.00 H new ATOM 0 HD22 LEU B 125 1.693 16.069 6.914 1.00 0.00 H new ATOM 0 HD23 LEU B 125 1.297 14.352 6.664 1.00 0.00 H new ATOM 1626 N LEU B 126 4.267 12.694 6.418 1.00 0.00 N ATOM 1627 CA LEU B 126 4.212 12.249 5.029 1.00 0.00 C ATOM 1628 C LEU B 126 3.602 10.854 4.929 1.00 0.00 C ATOM 1629 O LEU B 126 3.487 10.128 5.916 1.00 0.00 O ATOM 1630 CB LEU B 126 5.614 12.250 4.417 1.00 0.00 C ATOM 1631 CG LEU B 126 5.938 13.417 3.484 1.00 0.00 C ATOM 1632 CD1 LEU B 126 6.220 14.678 4.286 1.00 0.00 C ATOM 1633 CD2 LEU B 126 7.122 13.074 2.592 1.00 0.00 C ATOM 0 H LEU B 126 5.161 13.099 6.696 1.00 0.00 H new ATOM 0 HA LEU B 126 3.580 12.943 4.475 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.343 12.246 5.228 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.748 11.321 3.864 1.00 0.00 H new ATOM 0 HG LEU B 126 5.072 13.601 2.849 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.449 15.498 3.606 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.344 14.934 4.882 1.00 0.00 H new ATOM 0 HD13 LEU B 126 7.070 14.507 4.946 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.338 13.916 1.935 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.994 12.863 3.210 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.883 12.197 1.991 1.00 0.00 H new