USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 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 50 HIS : no HE2:sc= -9.49! C(o=-13!,f=-11!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 169:sc= -3.16! (180deg=0) USER MOD Set 2.1: A 66 GLN : amide:sc= 0.948 K(o=1.9,f=-5.1!) USER MOD Set 2.2: A 67 SER OG : rot -58:sc= 0.95 USER MOD Set 3.1: A 39 MET CE :methyl -166:sc= -0.602 (180deg=-1.61!) USER MOD Set 3.2: A 44 TYR OH : rot 89:sc= 0.309 USER MOD Set 3.3: A 46 GLN : amide:sc= -4.66! C(o=-4.9!,f=-5!) USER MOD Single : A 3 ASN : amide:sc= -2.83! K(o=-2.8!,f=0) USER MOD Single : A 4 GLN : amide:sc= -6.21! C(o=-6.2!,f=-6.7!) 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=-13!) USER MOD Single : A 21 GLN : amide:sc= -1.08! X(o=-1.1!,f=-0.91) USER MOD Single : A 24 MET CE :methyl 146:sc= -1.72 (180deg=-1.85) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0357) USER MOD Single : A 31 MET CE :methyl 177:sc= -6.34! (180deg=-6.64!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 33 TYR OH : rot 150:sc= 1.24 USER MOD Single : A 36 GLN : amide:sc= -1.83! C(o=-1.8!,f=-1.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -127:sc= -0.128 (180deg=-0.449) USER MOD Single : A 42 GLN : amide:sc= -5.26! K(o=-5.3!,f=-0.5) USER MOD Single : A 47 GLN : amide:sc= -3.24! C(o=-3.2!,f=-3!) USER MOD Single : A 49 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.2!) USER MOD Single : A 51 MET CE :methyl -154:sc= -2.38! (180deg=-4.35!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 140:sc= -0.563 USER MOD Single : A 69 SER OG : rot -77:sc= -4.16! USER MOD Single : A 74 SER OG : rot 103:sc= 0.816 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -171:sc= -0.337 (180deg=-0.405) USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= -1.68 (180deg=-1.86!) USER MOD Single : A 83 ASN : amide:sc= -1.37 K(o=-1.4,f=-3!) 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 7.143 -1.047 -0.773 1.00 0.00 N ATOM 38 CA ASN A 3 7.964 -1.760 -1.744 1.00 0.00 C ATOM 39 C ASN A 3 9.447 -1.592 -1.431 1.00 0.00 C ATOM 40 O ASN A 3 9.912 -0.484 -1.163 1.00 0.00 O ATOM 41 CB ASN A 3 7.669 -1.257 -3.159 1.00 0.00 C ATOM 42 CG ASN A 3 7.844 -2.341 -4.206 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.982 -2.536 -5.063 1.00 0.00 O ATOM 44 ND2 ASN A 3 8.963 -3.052 -4.140 1.00 0.00 N ATOM 0 HA ASN A 3 7.717 -2.820 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.648 -0.876 -3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.330 -0.422 -3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.136 -3.795 -4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.650 -2.855 -3.412 1.00 0.00 H new ATOM 51 N GLN A 4 10.184 -2.697 -1.468 1.00 0.00 N ATOM 52 CA GLN A 4 11.614 -2.671 -1.188 1.00 0.00 C ATOM 53 C GLN A 4 12.368 -1.915 -2.277 1.00 0.00 C ATOM 54 O GLN A 4 11.862 -1.732 -3.384 1.00 0.00 O ATOM 55 CB GLN A 4 12.158 -4.096 -1.070 1.00 0.00 C ATOM 56 CG GLN A 4 11.233 -5.040 -0.318 1.00 0.00 C ATOM 57 CD GLN A 4 10.703 -4.436 0.967 1.00 0.00 C ATOM 58 OE1 GLN A 4 11.449 -4.231 1.925 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.407 -4.148 0.995 1.00 0.00 N ATOM 0 H GLN A 4 9.814 -3.622 -1.689 1.00 0.00 H new ATOM 0 HA GLN A 4 11.764 -2.153 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.334 -4.493 -2.070 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.123 -4.067 -0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.395 -5.310 -0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.769 -5.961 -0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.825 -4.334 0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.993 -3.740 1.833 1.00 0.00 H new ATOM 68 N VAL A 5 13.582 -1.478 -1.955 1.00 0.00 N ATOM 69 CA VAL A 5 14.407 -0.743 -2.906 1.00 0.00 C ATOM 70 C VAL A 5 15.890 -0.978 -2.644 1.00 0.00 C ATOM 71 O VAL A 5 16.266 -1.570 -1.632 1.00 0.00 O ATOM 72 CB VAL A 5 14.119 0.769 -2.846 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.637 1.040 -3.054 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.595 1.350 -1.523 1.00 0.00 C ATOM 0 H VAL A 5 14.015 -1.621 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 5 14.154 -1.115 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 5 14.669 1.258 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.453 2.113 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.331 0.661 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.063 0.540 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.384 2.419 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.075 0.858 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.668 1.190 -1.421 1.00 0.00 H new ATOM 84 N ARG A 6 16.729 -0.509 -3.563 1.00 0.00 N ATOM 85 CA ARG A 6 18.172 -0.669 -3.431 1.00 0.00 C ATOM 86 C ARG A 6 18.899 0.612 -3.830 1.00 0.00 C ATOM 87 O ARG A 6 19.055 0.924 -5.011 1.00 0.00 O ATOM 88 CB ARG A 6 18.658 -1.834 -4.295 1.00 0.00 C ATOM 89 CG ARG A 6 20.056 -2.313 -3.940 1.00 0.00 C ATOM 90 CD ARG A 6 20.789 -2.845 -5.162 1.00 0.00 C ATOM 91 NE ARG A 6 21.858 -3.772 -4.798 1.00 0.00 N ATOM 92 CZ ARG A 6 22.645 -4.371 -5.685 1.00 0.00 C ATOM 93 NH1 ARG A 6 22.485 -4.140 -6.981 1.00 0.00 N ATOM 94 NH2 ARG A 6 23.596 -5.202 -5.276 1.00 0.00 N ATOM 0 H ARG A 6 16.434 -0.016 -4.406 1.00 0.00 H new ATOM 0 HA ARG A 6 18.395 -0.883 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.961 -2.666 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.642 -1.531 -5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.623 -1.491 -3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 6 19.993 -3.095 -3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 6 20.080 -3.349 -5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 6 21.208 -2.011 -5.725 1.00 0.00 H new ATOM 0 HE ARG A 6 22.008 -3.970 -3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 6 21.756 -3.501 -7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 6 23.091 -4.601 -7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 6 23.723 -5.381 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 6 24.200 -5.661 -5.958 1.00 0.00 H new ATOM 108 N PRO A 7 19.355 1.372 -2.824 1.00 0.00 N ATOM 109 CA PRO A 7 20.073 2.631 -3.045 1.00 0.00 C ATOM 110 C PRO A 7 21.461 2.410 -3.636 1.00 0.00 C ATOM 111 O PRO A 7 22.391 2.013 -2.934 1.00 0.00 O ATOM 112 CB PRO A 7 20.179 3.230 -1.640 1.00 0.00 C ATOM 113 CG PRO A 7 20.109 2.058 -0.722 1.00 0.00 C ATOM 114 CD PRO A 7 19.205 1.061 -1.392 1.00 0.00 C ATOM 0 HA PRO A 7 19.559 3.274 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.113 3.777 -1.513 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.369 3.933 -1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.099 1.635 -0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.716 2.348 0.252 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.503 0.036 -1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.172 1.171 -1.063 1.00 0.00 H new ATOM 122 N LYS A 8 21.595 2.672 -4.932 1.00 0.00 N ATOM 123 CA LYS A 8 22.870 2.504 -5.619 1.00 0.00 C ATOM 124 C LYS A 8 23.975 3.284 -4.914 1.00 0.00 C ATOM 125 O LYS A 8 23.759 3.858 -3.846 1.00 0.00 O ATOM 126 CB LYS A 8 22.753 2.965 -7.074 1.00 0.00 C ATOM 127 CG LYS A 8 23.629 2.177 -8.033 1.00 0.00 C ATOM 128 CD LYS A 8 22.820 1.607 -9.186 1.00 0.00 C ATOM 129 CE LYS A 8 23.557 0.470 -9.876 1.00 0.00 C ATOM 130 NZ LYS A 8 22.623 -0.581 -10.366 1.00 0.00 N ATOM 0 H LYS A 8 20.836 3.002 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 8 23.128 1.445 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.714 2.880 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.020 4.020 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.415 2.823 -8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.120 1.366 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.860 1.248 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.608 2.396 -9.908 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.131 0.865 -10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.271 0.026 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.165 -1.338 -10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.093 -0.977 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.958 -0.164 -11.048 1.00 0.00 H new ATOM 144 N LEU A 9 25.158 3.303 -5.518 1.00 0.00 N ATOM 145 CA LEU A 9 26.296 4.014 -4.949 1.00 0.00 C ATOM 146 C LEU A 9 25.937 5.467 -4.652 1.00 0.00 C ATOM 147 O LEU A 9 25.995 5.925 -3.510 1.00 0.00 O ATOM 148 CB LEU A 9 27.489 3.958 -5.906 1.00 0.00 C ATOM 149 CG LEU A 9 28.422 2.758 -5.744 1.00 0.00 C ATOM 150 CD1 LEU A 9 29.716 2.980 -6.513 1.00 0.00 C ATOM 151 CD2 LEU A 9 28.712 2.502 -4.272 1.00 0.00 C ATOM 0 H LEU A 9 25.354 2.834 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 9 26.566 3.526 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.110 3.963 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 9 28.075 4.868 -5.779 1.00 0.00 H new ATOM 0 HG LEU A 9 27.925 1.879 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 9 30.368 2.116 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 9 29.492 3.113 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 9 30.217 3.871 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.378 1.644 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.188 3.381 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 9 27.779 2.297 -3.748 1.00 0.00 H new ATOM 163 N PRO A 10 25.555 6.209 -5.701 1.00 0.00 N ATOM 164 CA PRO A 10 25.176 7.620 -5.577 1.00 0.00 C ATOM 165 C PRO A 10 23.853 7.802 -4.842 1.00 0.00 C ATOM 166 O PRO A 10 23.404 8.927 -4.619 1.00 0.00 O ATOM 167 CB PRO A 10 25.048 8.082 -7.031 1.00 0.00 C ATOM 168 CG PRO A 10 24.740 6.841 -7.797 1.00 0.00 C ATOM 169 CD PRO A 10 25.463 5.728 -7.090 1.00 0.00 C ATOM 0 HA PRO A 10 25.904 8.188 -4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.256 8.823 -7.143 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.970 8.545 -7.382 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.666 6.655 -7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 10 25.073 6.928 -8.831 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.915 4.788 -7.154 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.449 5.552 -7.520 1.00 0.00 H new ATOM 177 N LEU A 11 23.232 6.689 -4.466 1.00 0.00 N ATOM 178 CA LEU A 11 21.959 6.726 -3.754 1.00 0.00 C ATOM 179 C LEU A 11 22.119 6.217 -2.325 1.00 0.00 C ATOM 180 O LEU A 11 21.268 6.460 -1.469 1.00 0.00 O ATOM 181 CB LEU A 11 20.915 5.887 -4.493 1.00 0.00 C ATOM 182 CG LEU A 11 20.423 6.450 -5.826 1.00 0.00 C ATOM 183 CD1 LEU A 11 18.953 6.120 -6.035 1.00 0.00 C ATOM 184 CD2 LEU A 11 20.648 7.953 -5.886 1.00 0.00 C ATOM 0 H LEU A 11 23.589 5.750 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 11 21.622 7.762 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.334 4.897 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.054 5.755 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 11 20.996 5.985 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.620 6.529 -6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.820 5.038 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.364 6.556 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.292 8.336 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 11 20.102 8.435 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 11 21.712 8.166 -5.784 1.00 0.00 H new ATOM 196 N LEU A 12 23.216 5.511 -2.074 1.00 0.00 N ATOM 197 CA LEU A 12 23.490 4.970 -0.747 1.00 0.00 C ATOM 198 C LEU A 12 23.980 6.063 0.197 1.00 0.00 C ATOM 199 O LEU A 12 23.575 6.123 1.358 1.00 0.00 O ATOM 200 CB LEU A 12 24.531 3.852 -0.836 1.00 0.00 C ATOM 201 CG LEU A 12 24.217 2.578 -0.052 1.00 0.00 C ATOM 202 CD1 LEU A 12 25.500 1.880 0.369 1.00 0.00 C ATOM 203 CD2 LEU A 12 23.358 2.898 1.163 1.00 0.00 C ATOM 0 H LEU A 12 23.930 5.300 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 12 22.561 4.563 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.660 3.586 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.486 4.244 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 12 23.658 1.904 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.256 0.975 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.078 1.616 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.087 2.547 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.144 1.979 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.891 3.591 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.422 3.353 0.838 1.00 0.00 H new ATOM 215 N LYS A 13 24.853 6.927 -0.309 1.00 0.00 N ATOM 216 CA LYS A 13 25.397 8.021 0.487 1.00 0.00 C ATOM 217 C LYS A 13 24.295 8.988 0.907 1.00 0.00 C ATOM 218 O LYS A 13 24.386 9.632 1.953 1.00 0.00 O ATOM 219 CB LYS A 13 26.472 8.770 -0.305 1.00 0.00 C ATOM 220 CG LYS A 13 25.913 9.833 -1.234 1.00 0.00 C ATOM 221 CD LYS A 13 25.991 11.216 -0.610 1.00 0.00 C ATOM 222 CE LYS A 13 26.334 12.276 -1.645 1.00 0.00 C ATOM 223 NZ LYS A 13 26.370 13.641 -1.050 1.00 0.00 N ATOM 0 H LYS A 13 25.199 6.891 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 13 25.845 7.596 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.166 9.238 0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.046 8.052 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.467 9.825 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.876 9.599 -1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.038 11.459 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.744 11.219 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.302 12.048 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 13 25.599 12.250 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.607 14.335 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 25.439 13.869 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.089 13.674 -0.300 1.00 0.00 H new ATOM 237 N ILE A 14 23.253 9.084 0.087 1.00 0.00 N ATOM 238 CA ILE A 14 22.133 9.970 0.376 1.00 0.00 C ATOM 239 C ILE A 14 21.467 9.601 1.697 1.00 0.00 C ATOM 240 O ILE A 14 21.344 10.434 2.597 1.00 0.00 O ATOM 241 CB ILE A 14 21.079 9.929 -0.746 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.750 10.084 -2.112 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.038 11.019 -0.535 1.00 0.00 C ATOM 244 CD1 ILE A 14 20.798 10.507 -3.209 1.00 0.00 C ATOM 0 H ILE A 14 23.162 8.559 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 14 22.539 10.979 0.446 1.00 0.00 H new ATOM 0 HB ILE A 14 20.576 8.962 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.550 10.820 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.214 9.137 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.300 10.977 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.542 10.868 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.526 11.994 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.343 10.597 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.011 9.760 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.353 11.469 -2.954 1.00 0.00 H new ATOM 256 N LEU A 15 21.040 8.348 1.809 1.00 0.00 N ATOM 257 CA LEU A 15 20.388 7.867 3.022 1.00 0.00 C ATOM 258 C LEU A 15 21.389 7.742 4.166 1.00 0.00 C ATOM 259 O LEU A 15 21.072 8.039 5.318 1.00 0.00 O ATOM 260 CB LEU A 15 19.720 6.515 2.764 1.00 0.00 C ATOM 261 CG LEU A 15 18.827 6.433 1.525 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.372 7.821 1.103 1.00 0.00 C ATOM 263 CD2 LEU A 15 19.559 5.740 0.385 1.00 0.00 C ATOM 0 H LEU A 15 21.134 7.647 1.074 1.00 0.00 H new ATOM 0 HA LEU A 15 19.627 8.593 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.499 5.758 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.121 6.256 3.637 1.00 0.00 H new ATOM 0 HG LEU A 15 17.945 5.844 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.738 7.743 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.809 8.282 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.243 8.435 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.909 5.691 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.459 6.302 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.834 4.730 0.690 1.00 0.00 H new ATOM 275 N HIS A 16 22.601 7.303 3.840 1.00 0.00 N ATOM 276 CA HIS A 16 23.651 7.142 4.840 1.00 0.00 C ATOM 277 C HIS A 16 23.878 8.443 5.603 1.00 0.00 C ATOM 278 O HIS A 16 23.974 8.446 6.830 1.00 0.00 O ATOM 279 CB HIS A 16 24.952 6.692 4.176 1.00 0.00 C ATOM 280 CG HIS A 16 25.013 5.219 3.913 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.187 4.551 3.640 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.034 4.284 3.884 1.00 0.00 C ATOM 283 CE1 HIS A 16 25.929 3.269 3.453 1.00 0.00 C ATOM 284 NE2 HIS A 16 24.629 3.080 3.596 1.00 0.00 N ATOM 0 H HIS A 16 22.880 7.053 2.891 1.00 0.00 H new ATOM 0 HA HIS A 16 23.331 6.378 5.548 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.073 7.226 3.234 1.00 0.00 H new ATOM 0 HB3 HIS A 16 25.791 6.974 4.812 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.111 4.980 3.590 1.00 0.00 H new ATOM 0 HD2 HIS A 16 22.981 4.453 4.055 1.00 0.00 H new ATOM 0 HE1 HIS A 16 26.657 2.505 3.222 1.00 0.00 H new ATOM 292 N ALA A 17 23.965 9.547 4.868 1.00 0.00 N ATOM 293 CA ALA A 17 24.180 10.855 5.476 1.00 0.00 C ATOM 294 C ALA A 17 22.988 11.265 6.333 1.00 0.00 C ATOM 295 O ALA A 17 23.075 12.199 7.129 1.00 0.00 O ATOM 296 CB ALA A 17 24.445 11.899 4.401 1.00 0.00 C ATOM 0 H ALA A 17 23.890 9.562 3.851 1.00 0.00 H new ATOM 0 HA ALA A 17 25.053 10.788 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.604 12.871 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.333 11.620 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.588 11.955 3.729 1.00 0.00 H new ATOM 302 N ALA A 18 21.873 10.561 6.163 1.00 0.00 N ATOM 303 CA ALA A 18 20.663 10.851 6.922 1.00 0.00 C ATOM 304 C ALA A 18 20.528 9.916 8.119 1.00 0.00 C ATOM 305 O ALA A 18 19.616 10.060 8.932 1.00 0.00 O ATOM 306 CB ALA A 18 19.439 10.744 6.025 1.00 0.00 C ATOM 0 H ALA A 18 21.783 9.786 5.506 1.00 0.00 H new ATOM 0 HA ALA A 18 20.736 11.871 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.543 10.963 6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.525 11.458 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.372 9.734 5.620 1.00 0.00 H new ATOM 312 N GLY A 19 21.442 8.955 8.220 1.00 0.00 N ATOM 313 CA GLY A 19 21.406 8.010 9.320 1.00 0.00 C ATOM 314 C GLY A 19 21.234 6.579 8.850 1.00 0.00 C ATOM 315 O GLY A 19 21.251 5.648 9.654 1.00 0.00 O ATOM 0 H GLY A 19 22.206 8.815 7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 19 22.328 8.092 9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 19 20.587 8.270 9.991 1.00 0.00 H new ATOM 319 N ALA A 20 21.065 6.404 7.543 1.00 0.00 N ATOM 320 CA ALA A 20 20.889 5.076 6.967 1.00 0.00 C ATOM 321 C ALA A 20 22.214 4.325 6.905 1.00 0.00 C ATOM 322 O ALA A 20 23.274 4.896 7.157 1.00 0.00 O ATOM 323 CB ALA A 20 20.273 5.181 5.579 1.00 0.00 C ATOM 0 H ALA A 20 21.046 7.165 6.864 1.00 0.00 H new ATOM 0 HA ALA A 20 20.213 4.513 7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.147 4.183 5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.302 5.671 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.929 5.765 4.933 1.00 0.00 H new ATOM 329 N GLN A 21 22.146 3.041 6.567 1.00 0.00 N ATOM 330 CA GLN A 21 23.341 2.211 6.473 1.00 0.00 C ATOM 331 C GLN A 21 22.998 0.818 5.956 1.00 0.00 C ATOM 332 O GLN A 21 22.137 0.135 6.509 1.00 0.00 O ATOM 333 CB GLN A 21 24.024 2.108 7.838 1.00 0.00 C ATOM 334 CG GLN A 21 25.534 2.268 7.777 1.00 0.00 C ATOM 335 CD GLN A 21 26.007 3.582 8.367 1.00 0.00 C ATOM 336 OE1 GLN A 21 26.636 3.611 9.425 1.00 0.00 O ATOM 337 NE2 GLN A 21 25.705 4.680 7.684 1.00 0.00 N ATOM 0 H GLN A 21 21.276 2.553 6.354 1.00 0.00 H new ATOM 0 HA GLN A 21 24.025 2.682 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.613 2.871 8.499 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.787 1.141 8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.005 1.444 8.313 1.00 0.00 H new ATOM 0 HG3 GLN A 21 25.861 2.202 6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.182 4.610 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 21 25.996 5.593 8.032 1.00 0.00 H new ATOM 346 N GLY A 22 23.678 0.403 4.892 1.00 0.00 N ATOM 347 CA GLY A 22 23.430 -0.906 4.318 1.00 0.00 C ATOM 348 C GLY A 22 23.306 -0.863 2.808 1.00 0.00 C ATOM 349 O GLY A 22 23.923 -0.025 2.152 1.00 0.00 O ATOM 0 H GLY A 22 24.396 0.950 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.241 -1.580 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.515 -1.318 4.743 1.00 0.00 H new ATOM 353 N GLU A 23 22.506 -1.770 2.255 1.00 0.00 N ATOM 354 CA GLU A 23 22.305 -1.833 0.813 1.00 0.00 C ATOM 355 C GLU A 23 20.869 -2.229 0.480 1.00 0.00 C ATOM 356 O GLU A 23 20.562 -2.595 -0.654 1.00 0.00 O ATOM 357 CB GLU A 23 23.279 -2.830 0.182 1.00 0.00 C ATOM 358 CG GLU A 23 24.740 -2.499 0.439 1.00 0.00 C ATOM 359 CD GLU A 23 25.665 -3.093 -0.605 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.515 -4.293 -0.915 1.00 0.00 O ATOM 361 OE2 GLU A 23 26.538 -2.358 -1.112 1.00 0.00 O ATOM 0 H GLU A 23 21.987 -2.471 2.784 1.00 0.00 H new ATOM 0 HA GLU A 23 22.495 -0.841 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.067 -3.827 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.106 -2.863 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.866 -1.416 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 23 25.025 -2.869 1.424 1.00 0.00 H new ATOM 368 N MET A 24 19.994 -2.153 1.478 1.00 0.00 N ATOM 369 CA MET A 24 18.591 -2.502 1.291 1.00 0.00 C ATOM 370 C MET A 24 17.700 -1.693 2.228 1.00 0.00 C ATOM 371 O MET A 24 18.014 -1.523 3.407 1.00 0.00 O ATOM 372 CB MET A 24 18.379 -3.998 1.532 1.00 0.00 C ATOM 373 CG MET A 24 19.332 -4.882 0.743 1.00 0.00 C ATOM 374 SD MET A 24 18.982 -4.874 -1.026 1.00 0.00 S ATOM 375 CE MET A 24 20.600 -5.256 -1.693 1.00 0.00 C ATOM 0 H MET A 24 20.232 -1.853 2.423 1.00 0.00 H new ATOM 0 HA MET A 24 18.317 -2.265 0.263 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.499 -4.207 2.595 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.354 -4.258 1.269 1.00 0.00 H new ATOM 0 HG2 MET A 24 20.355 -4.545 0.909 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.268 -5.904 1.118 1.00 0.00 H new ATOM 0 HE1 MET A 24 20.489 -5.856 -2.597 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.122 -4.330 -1.934 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.175 -5.815 -0.955 1.00 0.00 H new ATOM 385 N PHE A 25 16.587 -1.196 1.698 1.00 0.00 N ATOM 386 CA PHE A 25 15.652 -0.404 2.487 1.00 0.00 C ATOM 387 C PHE A 25 14.289 -0.332 1.804 1.00 0.00 C ATOM 388 O PHE A 25 14.175 -0.541 0.596 1.00 0.00 O ATOM 389 CB PHE A 25 16.202 1.008 2.703 1.00 0.00 C ATOM 390 CG PHE A 25 17.640 1.031 3.135 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.659 0.917 2.203 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.973 1.167 4.473 1.00 0.00 C ATOM 393 CE1 PHE A 25 19.983 0.937 2.598 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.296 1.189 4.874 1.00 0.00 C ATOM 395 CZ PHE A 25 20.302 1.075 3.935 1.00 0.00 C ATOM 0 H PHE A 25 16.311 -1.328 0.725 1.00 0.00 H new ATOM 0 HA PHE A 25 15.529 -0.890 3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.100 1.575 1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.597 1.514 3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.416 0.811 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.190 1.257 5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.768 0.845 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.542 1.295 5.920 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.336 1.094 4.245 1.00 0.00 H new ATOM 405 N THR A 26 13.256 -0.034 2.587 1.00 0.00 N ATOM 406 CA THR A 26 11.901 0.064 2.060 1.00 0.00 C ATOM 407 C THR A 26 11.537 1.510 1.746 1.00 0.00 C ATOM 408 O THR A 26 12.369 2.410 1.862 1.00 0.00 O ATOM 409 CB THR A 26 10.870 -0.510 3.050 1.00 0.00 C ATOM 410 OG1 THR A 26 11.525 -0.923 4.255 1.00 0.00 O ATOM 411 CG2 THR A 26 10.131 -1.690 2.438 1.00 0.00 C ATOM 0 H THR A 26 13.333 0.144 3.588 1.00 0.00 H new ATOM 0 HA THR A 26 11.876 -0.522 1.141 1.00 0.00 H new ATOM 0 HB THR A 26 10.146 0.272 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.863 -1.285 4.880 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.408 -2.079 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.610 -1.365 1.538 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.845 -2.473 2.182 1.00 0.00 H new ATOM 419 N VAL A 27 10.287 1.728 1.348 1.00 0.00 N ATOM 420 CA VAL A 27 9.812 3.067 1.019 1.00 0.00 C ATOM 421 C VAL A 27 9.900 3.993 2.226 1.00 0.00 C ATOM 422 O VAL A 27 10.397 5.115 2.127 1.00 0.00 O ATOM 423 CB VAL A 27 8.357 3.037 0.513 1.00 0.00 C ATOM 424 CG1 VAL A 27 8.092 4.209 -0.420 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.062 1.716 -0.181 1.00 0.00 C ATOM 0 H VAL A 27 9.585 0.995 1.246 1.00 0.00 H new ATOM 0 HA VAL A 27 10.457 3.446 0.226 1.00 0.00 H new ATOM 0 HB VAL A 27 7.690 3.128 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.060 4.171 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.261 5.144 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.765 4.152 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.030 1.712 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.735 1.593 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.210 0.895 0.521 1.00 0.00 H new ATOM 435 N LYS A 28 9.415 3.517 3.367 1.00 0.00 N ATOM 436 CA LYS A 28 9.439 4.301 4.597 1.00 0.00 C ATOM 437 C LYS A 28 10.873 4.603 5.020 1.00 0.00 C ATOM 438 O LYS A 28 11.173 5.702 5.485 1.00 0.00 O ATOM 439 CB LYS A 28 8.712 3.554 5.717 1.00 0.00 C ATOM 440 CG LYS A 28 8.945 2.053 5.699 1.00 0.00 C ATOM 441 CD LYS A 28 7.732 1.306 5.171 1.00 0.00 C ATOM 442 CE LYS A 28 7.719 -0.140 5.643 1.00 0.00 C ATOM 443 NZ LYS A 28 7.313 -0.254 7.071 1.00 0.00 N ATOM 0 H LYS A 28 9.000 2.591 3.466 1.00 0.00 H new ATOM 0 HA LYS A 28 8.928 5.245 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.037 3.952 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.642 3.748 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.812 1.826 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.176 1.708 6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.822 1.806 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.732 1.334 4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.033 -0.718 5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.710 -0.574 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.136 -1.252 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.073 0.113 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.446 0.298 7.230 1.00 0.00 H new ATOM 457 N GLU A 29 11.754 3.621 4.855 1.00 0.00 N ATOM 458 CA GLU A 29 13.156 3.784 5.221 1.00 0.00 C ATOM 459 C GLU A 29 13.819 4.861 4.366 1.00 0.00 C ATOM 460 O GLU A 29 14.422 5.799 4.888 1.00 0.00 O ATOM 461 CB GLU A 29 13.905 2.459 5.062 1.00 0.00 C ATOM 462 CG GLU A 29 13.661 1.483 6.201 1.00 0.00 C ATOM 463 CD GLU A 29 14.792 1.469 7.210 1.00 0.00 C ATOM 464 OE1 GLU A 29 15.728 2.283 7.064 1.00 0.00 O ATOM 465 OE2 GLU A 29 14.741 0.645 8.147 1.00 0.00 O ATOM 0 H GLU A 29 11.522 2.705 4.471 1.00 0.00 H new ATOM 0 HA GLU A 29 13.199 4.094 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.605 1.992 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.974 2.661 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.732 1.745 6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.530 0.480 5.794 1.00 0.00 H new ATOM 472 N VAL A 30 13.703 4.718 3.050 1.00 0.00 N ATOM 473 CA VAL A 30 14.290 5.678 2.122 1.00 0.00 C ATOM 474 C VAL A 30 13.708 7.071 2.331 1.00 0.00 C ATOM 475 O VAL A 30 14.409 8.074 2.197 1.00 0.00 O ATOM 476 CB VAL A 30 14.065 5.254 0.659 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.693 6.261 -0.292 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.623 3.859 0.416 1.00 0.00 C ATOM 0 H VAL A 30 13.208 3.947 2.602 1.00 0.00 H new ATOM 0 HA VAL A 30 15.361 5.701 2.325 1.00 0.00 H new ATOM 0 HB VAL A 30 12.992 5.230 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.524 5.944 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.241 7.241 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.765 6.321 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.455 3.576 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.693 3.853 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.121 3.147 1.072 1.00 0.00 H new ATOM 488 N MET A 31 12.422 7.126 2.661 1.00 0.00 N ATOM 489 CA MET A 31 11.746 8.398 2.891 1.00 0.00 C ATOM 490 C MET A 31 12.182 9.013 4.217 1.00 0.00 C ATOM 491 O MET A 31 12.446 10.213 4.299 1.00 0.00 O ATOM 492 CB MET A 31 10.229 8.202 2.880 1.00 0.00 C ATOM 493 CG MET A 31 9.533 8.779 4.102 1.00 0.00 C ATOM 494 SD MET A 31 9.646 10.577 4.182 1.00 0.00 S ATOM 495 CE MET A 31 9.487 11.003 2.450 1.00 0.00 C ATOM 0 H MET A 31 11.827 6.305 2.775 1.00 0.00 H new ATOM 0 HA MET A 31 12.023 9.080 2.087 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.817 8.667 1.984 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.009 7.136 2.816 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.483 8.485 4.090 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.974 8.351 5.002 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.484 12.088 2.341 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.326 10.584 1.894 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.554 10.597 2.060 1.00 0.00 H new ATOM 505 N HIS A 32 12.255 8.184 5.254 1.00 0.00 N ATOM 506 CA HIS A 32 12.659 8.648 6.576 1.00 0.00 C ATOM 507 C HIS A 32 14.034 9.306 6.524 1.00 0.00 C ATOM 508 O HIS A 32 14.324 10.223 7.293 1.00 0.00 O ATOM 509 CB HIS A 32 12.675 7.482 7.565 1.00 0.00 C ATOM 510 CG HIS A 32 12.378 7.889 8.976 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.320 7.379 9.698 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.008 8.760 9.797 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.311 7.921 10.903 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.325 8.763 10.989 1.00 0.00 N ATOM 0 H HIS A 32 12.040 7.188 5.204 1.00 0.00 H new ATOM 0 HA HIS A 32 11.934 9.390 6.912 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.944 6.738 7.249 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.653 7.002 7.532 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.885 9.344 9.560 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.596 7.711 11.685 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.562 9.324 11.807 1.00 0.00 H new ATOM 522 N TYR A 33 14.877 8.832 5.614 1.00 0.00 N ATOM 523 CA TYR A 33 16.223 9.372 5.464 1.00 0.00 C ATOM 524 C TYR A 33 16.192 10.726 4.762 1.00 0.00 C ATOM 525 O TYR A 33 17.004 11.607 5.050 1.00 0.00 O ATOM 526 CB TYR A 33 17.102 8.398 4.678 1.00 0.00 C ATOM 527 CG TYR A 33 17.334 7.083 5.389 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.791 7.051 6.700 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.095 5.874 4.748 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.006 5.852 7.353 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.305 4.670 5.393 1.00 0.00 C ATOM 532 CZ TYR A 33 17.761 4.665 6.695 1.00 0.00 C ATOM 533 OH TYR A 33 17.972 3.469 7.342 1.00 0.00 O ATOM 0 H TYR A 33 14.652 8.075 4.969 1.00 0.00 H new ATOM 0 HA TYR A 33 16.645 9.509 6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.638 8.202 3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.065 8.869 4.480 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.982 7.979 7.218 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.739 5.875 3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.364 5.845 8.372 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.113 3.739 4.881 1.00 0.00 H new ATOM 0 HH TYR A 33 17.352 2.795 6.994 1.00 0.00 H new ATOM 543 N LEU A 34 15.249 10.885 3.841 1.00 0.00 N ATOM 544 CA LEU A 34 15.109 12.132 3.096 1.00 0.00 C ATOM 545 C LEU A 34 15.074 13.329 4.041 1.00 0.00 C ATOM 546 O LEU A 34 15.876 14.254 3.917 1.00 0.00 O ATOM 547 CB LEU A 34 13.837 12.102 2.246 1.00 0.00 C ATOM 548 CG LEU A 34 14.043 12.011 0.734 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.932 13.145 0.247 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.640 10.664 0.356 1.00 0.00 C ATOM 0 H LEU A 34 14.569 10.166 3.592 1.00 0.00 H new ATOM 0 HA LEU A 34 15.974 12.234 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.233 11.252 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.259 13.001 2.460 1.00 0.00 H new ATOM 0 HG LEU A 34 13.071 12.104 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.067 13.064 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.464 14.101 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.902 13.084 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.779 10.618 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.603 10.541 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.966 9.867 0.669 1.00 0.00 H new ATOM 562 N GLY A 35 14.140 13.304 4.987 1.00 0.00 N ATOM 563 CA GLY A 35 14.020 14.391 5.940 1.00 0.00 C ATOM 564 C GLY A 35 15.327 14.688 6.649 1.00 0.00 C ATOM 565 O GLY A 35 15.735 15.844 6.750 1.00 0.00 O ATOM 0 H GLY A 35 13.464 12.550 5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.679 15.288 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.259 14.140 6.678 1.00 0.00 H new ATOM 569 N GLN A 36 15.983 13.642 7.141 1.00 0.00 N ATOM 570 CA GLN A 36 17.249 13.798 7.846 1.00 0.00 C ATOM 571 C GLN A 36 18.307 14.414 6.935 1.00 0.00 C ATOM 572 O GLN A 36 19.035 15.321 7.339 1.00 0.00 O ATOM 573 CB GLN A 36 17.736 12.445 8.369 1.00 0.00 C ATOM 574 CG GLN A 36 16.753 11.768 9.310 1.00 0.00 C ATOM 575 CD GLN A 36 15.558 12.643 9.635 1.00 0.00 C ATOM 576 OE1 GLN A 36 15.616 13.483 10.533 1.00 0.00 O ATOM 577 NE2 GLN A 36 14.467 12.449 8.904 1.00 0.00 N ATOM 0 H GLN A 36 15.659 12.678 7.064 1.00 0.00 H new ATOM 0 HA GLN A 36 17.086 14.469 8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.929 11.786 7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.685 12.585 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.406 10.838 8.859 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.266 11.502 10.234 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.464 11.741 8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.631 13.008 9.077 1.00 0.00 H new ATOM 586 N TYR A 37 18.385 13.916 5.707 1.00 0.00 N ATOM 587 CA TYR A 37 19.356 14.416 4.740 1.00 0.00 C ATOM 588 C TYR A 37 19.190 15.917 4.529 1.00 0.00 C ATOM 589 O TYR A 37 20.164 16.670 4.554 1.00 0.00 O ATOM 590 CB TYR A 37 19.203 13.682 3.407 1.00 0.00 C ATOM 591 CG TYR A 37 20.162 14.159 2.340 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.496 13.770 2.352 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.734 14.998 1.318 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.376 14.205 1.379 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.606 15.437 0.341 1.00 0.00 C ATOM 596 CZ TYR A 37 21.926 15.037 0.376 1.00 0.00 C ATOM 597 OH TYR A 37 22.799 15.471 -0.596 1.00 0.00 O ATOM 0 H TYR A 37 17.788 13.167 5.357 1.00 0.00 H new ATOM 0 HA TYR A 37 20.355 14.231 5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.355 12.615 3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.181 13.807 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.851 13.117 3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.701 15.312 1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.410 13.895 1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.257 16.089 -0.446 1.00 0.00 H new ATOM 0 HH TYR A 37 22.323 16.049 -1.229 1.00 0.00 H new ATOM 607 N ILE A 38 17.949 16.346 4.321 1.00 0.00 N ATOM 608 CA ILE A 38 17.655 17.757 4.107 1.00 0.00 C ATOM 609 C ILE A 38 18.058 18.592 5.317 1.00 0.00 C ATOM 610 O ILE A 38 18.717 19.623 5.181 1.00 0.00 O ATOM 611 CB ILE A 38 16.159 17.982 3.818 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.707 17.111 2.644 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.891 19.451 3.528 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.204 17.014 2.507 1.00 0.00 C ATOM 0 H ILE A 38 17.132 15.736 4.296 1.00 0.00 H new ATOM 0 HA ILE A 38 18.236 18.073 3.241 1.00 0.00 H new ATOM 0 HB ILE A 38 15.587 17.695 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.122 17.515 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.118 16.109 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.830 19.594 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.180 20.051 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.471 19.762 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.956 16.381 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.783 16.581 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.788 18.010 2.353 1.00 0.00 H new ATOM 626 N MET A 39 17.660 18.140 6.502 1.00 0.00 N ATOM 627 CA MET A 39 17.983 18.844 7.737 1.00 0.00 C ATOM 628 C MET A 39 19.489 18.849 7.982 1.00 0.00 C ATOM 629 O MET A 39 20.043 19.827 8.484 1.00 0.00 O ATOM 630 CB MET A 39 17.264 18.196 8.922 1.00 0.00 C ATOM 631 CG MET A 39 18.206 17.553 9.926 1.00 0.00 C ATOM 632 SD MET A 39 17.350 16.953 11.396 1.00 0.00 S ATOM 633 CE MET A 39 16.203 18.296 11.691 1.00 0.00 C ATOM 0 H MET A 39 17.113 17.289 6.633 1.00 0.00 H new ATOM 0 HA MET A 39 17.645 19.876 7.637 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.665 18.952 9.430 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.573 17.440 8.548 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.727 16.723 9.449 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.965 18.277 10.222 1.00 0.00 H new ATOM 0 HE1 MET A 39 15.780 18.200 12.691 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.728 19.248 11.609 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.402 18.259 10.953 1.00 0.00 H new ATOM 643 N VAL A 40 20.146 17.750 7.625 1.00 0.00 N ATOM 644 CA VAL A 40 21.588 17.629 7.805 1.00 0.00 C ATOM 645 C VAL A 40 22.339 18.590 6.891 1.00 0.00 C ATOM 646 O VAL A 40 23.349 19.175 7.282 1.00 0.00 O ATOM 647 CB VAL A 40 22.069 16.192 7.528 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.813 16.124 6.204 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.945 15.695 8.668 1.00 0.00 C ATOM 0 H VAL A 40 19.703 16.931 7.209 1.00 0.00 H new ATOM 0 HA VAL A 40 21.800 17.881 8.844 1.00 0.00 H new ATOM 0 HB VAL A 40 21.197 15.542 7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.145 15.101 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.150 16.436 5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.678 16.786 6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.276 14.678 8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.814 16.346 8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.374 15.704 9.596 1.00 0.00 H new ATOM 659 N LYS A 41 21.839 18.748 5.670 1.00 0.00 N ATOM 660 CA LYS A 41 22.461 19.640 4.698 1.00 0.00 C ATOM 661 C LYS A 41 21.901 21.053 4.820 1.00 0.00 C ATOM 662 O LYS A 41 22.439 21.996 4.239 1.00 0.00 O ATOM 663 CB LYS A 41 22.240 19.113 3.278 1.00 0.00 C ATOM 664 CG LYS A 41 23.213 18.018 2.877 1.00 0.00 C ATOM 665 CD LYS A 41 24.656 18.458 3.066 1.00 0.00 C ATOM 666 CE LYS A 41 24.864 19.894 2.612 1.00 0.00 C ATOM 667 NZ LYS A 41 24.515 20.079 1.177 1.00 0.00 N ATOM 0 H LYS A 41 21.005 18.270 5.330 1.00 0.00 H new ATOM 0 HA LYS A 41 23.531 19.673 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.222 18.731 3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.328 19.941 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.023 17.125 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.048 17.747 1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.932 18.364 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 41 25.316 17.798 2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 41 24.254 20.560 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.904 20.178 2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 25.313 20.523 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 24.311 19.154 0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 23.677 20.689 1.100 1.00 0.00 H new ATOM 681 N GLN A 42 20.819 21.193 5.579 1.00 0.00 N ATOM 682 CA GLN A 42 20.187 22.492 5.777 1.00 0.00 C ATOM 683 C GLN A 42 19.615 23.025 4.468 1.00 0.00 C ATOM 684 O GLN A 42 19.860 24.172 4.092 1.00 0.00 O ATOM 685 CB GLN A 42 21.195 23.490 6.351 1.00 0.00 C ATOM 686 CG GLN A 42 21.164 23.582 7.868 1.00 0.00 C ATOM 687 CD GLN A 42 22.169 22.660 8.529 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.811 23.027 9.514 1.00 0.00 O ATOM 689 NE2 GLN A 42 22.312 21.455 7.990 1.00 0.00 N ATOM 0 H GLN A 42 20.362 20.423 6.067 1.00 0.00 H new ATOM 0 HA GLN A 42 19.368 22.365 6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.198 23.204 6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.996 24.476 5.931 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.366 24.610 8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.163 23.336 8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.759 21.193 7.174 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.974 20.792 8.392 1.00 0.00 H new ATOM 698 N LEU A 43 18.853 22.185 3.776 1.00 0.00 N ATOM 699 CA LEU A 43 18.245 22.571 2.507 1.00 0.00 C ATOM 700 C LEU A 43 16.749 22.817 2.672 1.00 0.00 C ATOM 701 O LEU A 43 15.934 22.266 1.931 1.00 0.00 O ATOM 702 CB LEU A 43 18.483 21.486 1.455 1.00 0.00 C ATOM 703 CG LEU A 43 18.802 21.980 0.043 1.00 0.00 C ATOM 704 CD1 LEU A 43 20.304 22.111 -0.150 1.00 0.00 C ATOM 705 CD2 LEU A 43 18.209 21.040 -0.997 1.00 0.00 C ATOM 0 H LEU A 43 18.641 21.232 4.072 1.00 0.00 H new ATOM 0 HA LEU A 43 18.712 23.499 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.305 20.855 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.596 20.854 1.406 1.00 0.00 H new ATOM 0 HG LEU A 43 18.353 22.964 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 43 20.512 22.464 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 43 20.703 22.823 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 43 20.776 21.140 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.446 21.407 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.629 20.043 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.127 20.997 -0.873 1.00 0.00 H new ATOM 717 N TYR A 44 16.395 23.648 3.646 1.00 0.00 N ATOM 718 CA TYR A 44 14.997 23.967 3.908 1.00 0.00 C ATOM 719 C TYR A 44 14.874 25.260 4.708 1.00 0.00 C ATOM 720 O TYR A 44 15.861 25.773 5.235 1.00 0.00 O ATOM 721 CB TYR A 44 14.324 22.820 4.665 1.00 0.00 C ATOM 722 CG TYR A 44 14.894 22.589 6.046 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.239 22.288 6.222 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.087 22.672 7.174 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.764 22.075 7.482 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.604 22.462 8.438 1.00 0.00 C ATOM 727 CZ TYR A 44 15.942 22.163 8.587 1.00 0.00 C ATOM 728 OH TYR A 44 16.462 21.953 9.844 1.00 0.00 O ATOM 0 H TYR A 44 17.057 24.113 4.267 1.00 0.00 H new ATOM 0 HA TYR A 44 14.496 24.105 2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.258 23.029 4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.423 21.904 4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.885 22.219 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.038 22.904 7.061 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.812 21.841 7.602 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.964 22.532 9.305 1.00 0.00 H new ATOM 0 HH TYR A 44 16.789 22.802 10.209 1.00 0.00 H new ATOM 738 N ASP A 45 13.655 25.781 4.794 1.00 0.00 N ATOM 739 CA ASP A 45 13.400 27.013 5.531 1.00 0.00 C ATOM 740 C ASP A 45 13.251 26.733 7.023 1.00 0.00 C ATOM 741 O ASP A 45 12.297 26.083 7.450 1.00 0.00 O ATOM 742 CB ASP A 45 12.140 27.699 5.000 1.00 0.00 C ATOM 743 CG ASP A 45 12.388 29.142 4.608 1.00 0.00 C ATOM 744 OD1 ASP A 45 13.561 29.500 4.372 1.00 0.00 O ATOM 745 OD2 ASP A 45 11.409 29.914 4.536 1.00 0.00 O ATOM 0 H ASP A 45 12.828 25.369 4.362 1.00 0.00 H new ATOM 0 HA ASP A 45 14.253 27.676 5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.768 27.150 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.361 27.661 5.761 1.00 0.00 H new ATOM 750 N GLN A 46 14.201 27.228 7.811 1.00 0.00 N ATOM 751 CA GLN A 46 14.176 27.029 9.255 1.00 0.00 C ATOM 752 C GLN A 46 12.876 27.556 9.854 1.00 0.00 C ATOM 753 O GLN A 46 12.394 27.041 10.862 1.00 0.00 O ATOM 754 CB GLN A 46 15.372 27.724 9.908 1.00 0.00 C ATOM 755 CG GLN A 46 16.613 26.851 9.990 1.00 0.00 C ATOM 756 CD GLN A 46 16.657 25.796 8.902 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.624 24.597 9.182 1.00 0.00 O ATOM 758 NE2 GLN A 46 16.733 26.237 7.652 1.00 0.00 N ATOM 0 H GLN A 46 14.997 27.769 7.473 1.00 0.00 H new ATOM 0 HA GLN A 46 14.237 25.958 9.450 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.609 28.626 9.344 1.00 0.00 H new ATOM 0 HB3 GLN A 46 15.093 28.040 10.913 1.00 0.00 H new ATOM 0 HG2 GLN A 46 17.500 27.480 9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.646 26.364 10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.758 27.239 7.466 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.766 25.573 6.878 1.00 0.00 H new ATOM 767 N GLN A 47 12.316 28.585 9.227 1.00 0.00 N ATOM 768 CA GLN A 47 11.072 29.182 9.700 1.00 0.00 C ATOM 769 C GLN A 47 9.877 28.305 9.344 1.00 0.00 C ATOM 770 O GLN A 47 8.858 28.318 10.034 1.00 0.00 O ATOM 771 CB GLN A 47 10.892 30.578 9.100 1.00 0.00 C ATOM 772 CG GLN A 47 12.202 31.263 8.748 1.00 0.00 C ATOM 773 CD GLN A 47 12.622 31.016 7.312 1.00 0.00 C ATOM 774 OE1 GLN A 47 11.943 31.435 6.374 1.00 0.00 O ATOM 775 NE2 GLN A 47 13.746 30.332 7.132 1.00 0.00 N ATOM 0 H GLN A 47 12.703 29.023 8.391 1.00 0.00 H new ATOM 0 HA GLN A 47 11.128 29.265 10.785 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.279 30.502 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.345 31.201 9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.103 32.336 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.985 30.908 9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.278 30.004 7.938 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.078 30.135 6.188 1.00 0.00 H new ATOM 784 N GLU A 48 10.009 27.543 8.263 1.00 0.00 N ATOM 785 CA GLU A 48 8.939 26.660 7.815 1.00 0.00 C ATOM 786 C GLU A 48 9.493 25.302 7.395 1.00 0.00 C ATOM 787 O GLU A 48 9.782 25.075 6.220 1.00 0.00 O ATOM 788 CB GLU A 48 8.177 27.295 6.650 1.00 0.00 C ATOM 789 CG GLU A 48 7.170 28.348 7.083 1.00 0.00 C ATOM 790 CD GLU A 48 7.387 29.681 6.393 1.00 0.00 C ATOM 791 OE1 GLU A 48 8.181 30.494 6.910 1.00 0.00 O ATOM 792 OE2 GLU A 48 6.763 29.911 5.336 1.00 0.00 O ATOM 0 H GLU A 48 10.847 27.519 7.681 1.00 0.00 H new ATOM 0 HA GLU A 48 8.254 26.511 8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.892 27.749 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.657 26.512 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.162 27.992 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.236 28.487 8.162 1.00 0.00 H new ATOM 799 N GLN A 49 9.639 24.404 8.363 1.00 0.00 N ATOM 800 CA GLN A 49 10.161 23.069 8.094 1.00 0.00 C ATOM 801 C GLN A 49 9.361 22.385 6.989 1.00 0.00 C ATOM 802 O GLN A 49 9.918 21.664 6.161 1.00 0.00 O ATOM 803 CB GLN A 49 10.127 22.219 9.365 1.00 0.00 C ATOM 804 CG GLN A 49 11.253 22.533 10.336 1.00 0.00 C ATOM 805 CD GLN A 49 10.831 23.498 11.427 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.650 23.601 11.757 1.00 0.00 O ATOM 807 NE2 GLN A 49 11.798 24.211 11.993 1.00 0.00 N ATOM 0 H GLN A 49 9.403 24.576 9.340 1.00 0.00 H new ATOM 0 HA GLN A 49 11.194 23.170 7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.172 22.370 9.868 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.179 21.166 9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.604 21.607 10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.094 22.957 9.787 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.764 24.093 11.688 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.575 24.877 12.733 1.00 0.00 H new ATOM 816 N HIS A 50 8.052 22.616 6.984 1.00 0.00 N ATOM 817 CA HIS A 50 7.175 22.022 5.980 1.00 0.00 C ATOM 818 C HIS A 50 7.571 22.473 4.578 1.00 0.00 C ATOM 819 O HIS A 50 7.122 21.904 3.583 1.00 0.00 O ATOM 820 CB HIS A 50 5.720 22.397 6.258 1.00 0.00 C ATOM 821 CG HIS A 50 5.365 23.786 5.822 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.988 24.778 6.702 1.00 0.00 N ATOM 823 CD2 HIS A 50 5.335 24.346 4.590 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.738 25.888 6.030 1.00 0.00 C ATOM 825 NE2 HIS A 50 4.942 25.652 4.747 1.00 0.00 N ATOM 0 H HIS A 50 7.575 23.209 7.663 1.00 0.00 H new ATOM 0 HA HIS A 50 7.280 20.939 6.036 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.067 21.688 5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.526 22.300 7.326 1.00 0.00 H new ATOM 0 HD1 HIS A 50 4.914 24.672 7.714 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.575 23.857 3.658 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.421 26.828 6.457 1.00 0.00 H new ATOM 833 N MET A 51 8.412 23.499 4.507 1.00 0.00 N ATOM 834 CA MET A 51 8.868 24.026 3.226 1.00 0.00 C ATOM 835 C MET A 51 10.305 23.599 2.942 1.00 0.00 C ATOM 836 O MET A 51 11.253 24.210 3.435 1.00 0.00 O ATOM 837 CB MET A 51 8.765 25.553 3.212 1.00 0.00 C ATOM 838 CG MET A 51 7.500 26.070 2.547 1.00 0.00 C ATOM 839 SD MET A 51 7.302 25.460 0.861 1.00 0.00 S ATOM 840 CE MET A 51 9.011 25.363 0.334 1.00 0.00 C ATOM 0 H MET A 51 8.792 23.982 5.321 1.00 0.00 H new ATOM 0 HA MET A 51 8.226 23.619 2.445 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.803 25.921 4.237 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.632 25.963 2.694 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.635 25.774 3.140 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.520 27.160 2.535 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.063 25.459 -0.751 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.581 26.168 0.797 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.430 24.403 0.634 1.00 0.00 H new ATOM 850 N VAL A 52 10.459 22.547 2.145 1.00 0.00 N ATOM 851 CA VAL A 52 11.780 22.039 1.796 1.00 0.00 C ATOM 852 C VAL A 52 12.294 22.682 0.513 1.00 0.00 C ATOM 853 O VAL A 52 11.579 22.757 -0.486 1.00 0.00 O ATOM 854 CB VAL A 52 11.765 20.509 1.620 1.00 0.00 C ATOM 855 CG1 VAL A 52 12.970 20.052 0.812 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.727 19.817 2.974 1.00 0.00 C ATOM 0 H VAL A 52 9.685 22.030 1.729 1.00 0.00 H new ATOM 0 HA VAL A 52 12.446 22.296 2.620 1.00 0.00 H new ATOM 0 HB VAL A 52 10.864 20.233 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.942 18.968 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.947 20.521 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.885 20.339 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.717 18.737 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.608 20.098 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.829 20.120 3.512 1.00 0.00 H new ATOM 866 N TYR A 53 13.539 23.144 0.547 1.00 0.00 N ATOM 867 CA TYR A 53 14.150 23.783 -0.612 1.00 0.00 C ATOM 868 C TYR A 53 15.151 22.849 -1.285 1.00 0.00 C ATOM 869 O TYR A 53 16.333 22.836 -0.940 1.00 0.00 O ATOM 870 CB TYR A 53 14.844 25.081 -0.199 1.00 0.00 C ATOM 871 CG TYR A 53 13.895 26.243 -0.009 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.133 26.722 -1.067 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.759 26.860 1.229 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.265 27.784 -0.898 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.893 27.921 1.407 1.00 0.00 C ATOM 876 CZ TYR A 53 12.148 28.379 0.340 1.00 0.00 C ATOM 877 OH TYR A 53 11.283 29.436 0.513 1.00 0.00 O ATOM 0 H TYR A 53 14.145 23.088 1.365 1.00 0.00 H new ATOM 0 HA TYR A 53 13.359 24.014 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.388 24.912 0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.581 25.346 -0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.220 26.257 -2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.341 26.504 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.681 28.146 -1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.800 28.389 2.376 1.00 0.00 H new ATOM 0 HH TYR A 53 11.319 29.739 1.444 1.00 0.00 H new ATOM 887 N CYS A 54 14.669 22.069 -2.246 1.00 0.00 N ATOM 888 CA CYS A 54 15.521 21.131 -2.968 1.00 0.00 C ATOM 889 C CYS A 54 16.332 21.848 -4.042 1.00 0.00 C ATOM 890 O CYS A 54 17.538 21.642 -4.165 1.00 0.00 O ATOM 891 CB CYS A 54 14.674 20.027 -3.604 1.00 0.00 C ATOM 892 SG CYS A 54 13.417 20.631 -4.755 1.00 0.00 S ATOM 0 H CYS A 54 13.693 22.067 -2.543 1.00 0.00 H new ATOM 0 HA CYS A 54 16.213 20.684 -2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 54 15.333 19.337 -4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.184 19.459 -2.813 1.00 0.00 H new ATOM 0 HG CYS A 54 13.356 19.840 -5.785 1.00 0.00 H new ATOM 898 N GLY A 55 15.660 22.692 -4.819 1.00 0.00 N ATOM 899 CA GLY A 55 16.334 23.426 -5.874 1.00 0.00 C ATOM 900 C GLY A 55 17.632 24.053 -5.406 1.00 0.00 C ATOM 901 O GLY A 55 17.637 25.160 -4.869 1.00 0.00 O ATOM 0 H GLY A 55 14.661 22.880 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.539 22.753 -6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.672 24.206 -6.250 1.00 0.00 H new ATOM 905 N GLY A 56 18.737 23.342 -5.609 1.00 0.00 N ATOM 906 CA GLY A 56 20.033 23.851 -5.196 1.00 0.00 C ATOM 907 C GLY A 56 20.986 22.745 -4.788 1.00 0.00 C ATOM 908 O GLY A 56 22.193 22.966 -4.680 1.00 0.00 O ATOM 0 H GLY A 56 18.758 22.423 -6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 56 20.473 24.423 -6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 56 19.901 24.539 -4.361 1.00 0.00 H new ATOM 912 N ASP A 57 20.445 21.554 -4.560 1.00 0.00 N ATOM 913 CA ASP A 57 21.256 20.410 -4.161 1.00 0.00 C ATOM 914 C ASP A 57 21.008 19.219 -5.082 1.00 0.00 C ATOM 915 O ASP A 57 20.213 19.301 -6.019 1.00 0.00 O ATOM 916 CB ASP A 57 20.952 20.022 -2.713 1.00 0.00 C ATOM 917 CG ASP A 57 22.184 19.542 -1.971 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.307 19.856 -2.418 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.025 18.853 -0.941 1.00 0.00 O ATOM 0 H ASP A 57 19.448 21.355 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 57 22.305 20.695 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.529 20.880 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.196 19.237 -2.701 1.00 0.00 H new ATOM 924 N LEU A 58 21.693 18.114 -4.810 1.00 0.00 N ATOM 925 CA LEU A 58 21.548 16.907 -5.615 1.00 0.00 C ATOM 926 C LEU A 58 20.078 16.533 -5.776 1.00 0.00 C ATOM 927 O LEU A 58 19.590 16.357 -6.894 1.00 0.00 O ATOM 928 CB LEU A 58 22.314 15.748 -4.975 1.00 0.00 C ATOM 929 CG LEU A 58 23.837 15.882 -4.948 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.494 14.511 -4.928 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.322 16.690 -6.143 1.00 0.00 C ATOM 0 H LEU A 58 22.354 18.029 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 58 21.963 17.107 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 58 21.962 15.628 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 58 22.060 14.832 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 58 24.120 16.411 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.578 14.627 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.172 13.966 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.204 13.956 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.408 16.775 -6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.027 16.189 -7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 58 23.879 17.685 -6.113 1.00 0.00 H new ATOM 943 N LEU A 59 19.377 16.415 -4.654 1.00 0.00 N ATOM 944 CA LEU A 59 17.961 16.064 -4.670 1.00 0.00 C ATOM 945 C LEU A 59 17.170 17.035 -5.541 1.00 0.00 C ATOM 946 O LEU A 59 16.220 16.644 -6.219 1.00 0.00 O ATOM 947 CB LEU A 59 17.400 16.064 -3.247 1.00 0.00 C ATOM 948 CG LEU A 59 16.606 17.305 -2.838 1.00 0.00 C ATOM 949 CD1 LEU A 59 15.876 17.063 -1.526 1.00 0.00 C ATOM 950 CD2 LEU A 59 17.525 18.512 -2.725 1.00 0.00 C ATOM 0 H LEU A 59 19.766 16.557 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 59 17.864 15.064 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.757 15.192 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.230 15.943 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 59 15.864 17.509 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.316 17.957 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.188 16.225 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.600 16.833 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 59 16.943 19.386 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.290 18.318 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.001 18.698 -3.688 1.00 0.00 H new ATOM 962 N GLY A 60 17.569 18.303 -5.518 1.00 0.00 N ATOM 963 CA GLY A 60 16.888 19.309 -6.311 1.00 0.00 C ATOM 964 C GLY A 60 17.044 19.078 -7.801 1.00 0.00 C ATOM 965 O GLY A 60 16.061 19.074 -8.541 1.00 0.00 O ATOM 0 H GLY A 60 18.352 18.651 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.828 19.312 -6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.280 20.294 -6.056 1.00 0.00 H new ATOM 969 N GLU A 61 18.283 18.885 -8.242 1.00 0.00 N ATOM 970 CA GLU A 61 18.564 18.654 -9.654 1.00 0.00 C ATOM 971 C GLU A 61 17.866 17.390 -10.148 1.00 0.00 C ATOM 972 O GLU A 61 17.362 17.343 -11.270 1.00 0.00 O ATOM 973 CB GLU A 61 20.072 18.541 -9.885 1.00 0.00 C ATOM 974 CG GLU A 61 20.550 17.114 -10.098 1.00 0.00 C ATOM 975 CD GLU A 61 20.183 16.575 -11.467 1.00 0.00 C ATOM 976 OE1 GLU A 61 20.217 17.356 -12.441 1.00 0.00 O ATOM 977 OE2 GLU A 61 19.863 15.372 -11.565 1.00 0.00 O ATOM 0 H GLU A 61 19.108 18.884 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 61 18.180 19.504 -10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.344 19.140 -10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.595 18.966 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 61 21.632 17.075 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.118 16.472 -9.331 1.00 0.00 H new ATOM 984 N LEU A 62 17.842 16.366 -9.302 1.00 0.00 N ATOM 985 CA LEU A 62 17.207 15.100 -9.651 1.00 0.00 C ATOM 986 C LEU A 62 15.688 15.239 -9.671 1.00 0.00 C ATOM 987 O LEU A 62 15.006 14.599 -10.471 1.00 0.00 O ATOM 988 CB LEU A 62 17.617 14.010 -8.658 1.00 0.00 C ATOM 989 CG LEU A 62 17.841 12.616 -9.246 1.00 0.00 C ATOM 990 CD1 LEU A 62 18.991 12.635 -10.241 1.00 0.00 C ATOM 991 CD2 LEU A 62 18.107 11.607 -8.139 1.00 0.00 C ATOM 0 H LEU A 62 18.255 16.388 -8.370 1.00 0.00 H new ATOM 0 HA LEU A 62 17.541 14.818 -10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.535 14.325 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.848 13.939 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 62 16.936 12.315 -9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.136 11.635 -10.649 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.760 13.327 -11.051 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.903 12.957 -9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.264 10.621 -8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.996 11.903 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.252 11.573 -7.464 1.00 0.00 H new ATOM 1003 N LEU A 63 15.165 16.082 -8.787 1.00 0.00 N ATOM 1004 CA LEU A 63 13.727 16.308 -8.704 1.00 0.00 C ATOM 1005 C LEU A 63 13.221 17.051 -9.937 1.00 0.00 C ATOM 1006 O LEU A 63 12.156 16.740 -10.468 1.00 0.00 O ATOM 1007 CB LEU A 63 13.387 17.102 -7.441 1.00 0.00 C ATOM 1008 CG LEU A 63 12.571 16.360 -6.382 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.534 17.153 -5.085 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.161 16.091 -6.886 1.00 0.00 C ATOM 0 H LEU A 63 15.716 16.620 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 63 13.234 15.337 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.318 17.437 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.837 17.996 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 63 13.053 15.402 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.949 16.610 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.550 17.293 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.077 18.126 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.595 15.562 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.669 17.037 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.207 15.481 -7.788 1.00 0.00 H new ATOM 1022 N GLY A 64 13.993 18.035 -10.388 1.00 0.00 N ATOM 1023 CA GLY A 64 13.608 18.805 -11.555 1.00 0.00 C ATOM 1024 C GLY A 64 12.880 20.084 -11.192 1.00 0.00 C ATOM 1025 O GLY A 64 12.658 20.944 -12.045 1.00 0.00 O ATOM 0 H GLY A 64 14.879 18.312 -9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.498 19.049 -12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.969 18.196 -12.194 1.00 0.00 H new ATOM 1029 N ARG A 65 12.507 20.210 -9.923 1.00 0.00 N ATOM 1030 CA ARG A 65 11.797 21.392 -9.449 1.00 0.00 C ATOM 1031 C ARG A 65 12.767 22.401 -8.840 1.00 0.00 C ATOM 1032 O ARG A 65 13.947 22.428 -9.187 1.00 0.00 O ATOM 1033 CB ARG A 65 10.739 20.999 -8.417 1.00 0.00 C ATOM 1034 CG ARG A 65 10.013 19.706 -8.751 1.00 0.00 C ATOM 1035 CD ARG A 65 9.581 19.670 -10.209 1.00 0.00 C ATOM 1036 NE ARG A 65 9.232 18.320 -10.643 1.00 0.00 N ATOM 1037 CZ ARG A 65 8.467 18.063 -11.698 1.00 0.00 C ATOM 1038 NH1 ARG A 65 7.976 19.058 -12.424 1.00 0.00 N ATOM 1039 NH2 ARG A 65 8.193 16.808 -12.031 1.00 0.00 N ATOM 0 H ARG A 65 12.685 19.508 -9.204 1.00 0.00 H new ATOM 0 HA ARG A 65 11.305 21.856 -10.304 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.215 20.897 -7.442 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.009 21.804 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.664 18.857 -8.542 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.139 19.602 -8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.724 20.329 -10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.386 20.055 -10.835 1.00 0.00 H new ATOM 0 HE ARG A 65 9.595 17.532 -10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.185 20.024 -12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.389 18.857 -13.234 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.570 16.039 -11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.605 16.612 -12.841 1.00 0.00 H new ATOM 1053 N GLN A 66 12.259 23.227 -7.931 1.00 0.00 N ATOM 1054 CA GLN A 66 13.081 24.238 -7.275 1.00 0.00 C ATOM 1055 C GLN A 66 12.867 24.217 -5.765 1.00 0.00 C ATOM 1056 O GLN A 66 13.817 24.344 -4.992 1.00 0.00 O ATOM 1057 CB GLN A 66 12.756 25.627 -7.828 1.00 0.00 C ATOM 1058 CG GLN A 66 11.266 25.897 -7.957 1.00 0.00 C ATOM 1059 CD GLN A 66 10.810 27.066 -7.107 1.00 0.00 C ATOM 1060 OE1 GLN A 66 10.044 26.897 -6.157 1.00 0.00 O ATOM 1061 NE2 GLN A 66 11.278 28.262 -7.444 1.00 0.00 N ATOM 0 H GLN A 66 11.284 23.216 -7.632 1.00 0.00 H new ATOM 0 HA GLN A 66 14.127 24.008 -7.479 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.198 26.381 -7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.223 25.738 -8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.026 26.096 -9.001 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.712 25.004 -7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.911 28.357 -8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.005 29.086 -6.908 1.00 0.00 H new ATOM 1070 N SER A 67 11.614 24.056 -5.351 1.00 0.00 N ATOM 1071 CA SER A 67 11.276 24.022 -3.933 1.00 0.00 C ATOM 1072 C SER A 67 9.946 23.309 -3.709 1.00 0.00 C ATOM 1073 O SER A 67 8.970 23.552 -4.419 1.00 0.00 O ATOM 1074 CB SER A 67 11.207 25.443 -3.370 1.00 0.00 C ATOM 1075 OG SER A 67 10.070 26.132 -3.862 1.00 0.00 O ATOM 0 H SER A 67 10.816 23.947 -5.977 1.00 0.00 H new ATOM 0 HA SER A 67 12.057 23.469 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.170 25.405 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.111 25.989 -3.639 1.00 0.00 H new ATOM 0 HG SER A 67 10.105 26.163 -4.841 1.00 0.00 H new ATOM 1081 N PHE A 68 9.916 22.426 -2.716 1.00 0.00 N ATOM 1082 CA PHE A 68 8.707 21.675 -2.398 1.00 0.00 C ATOM 1083 C PHE A 68 8.455 21.663 -0.893 1.00 0.00 C ATOM 1084 O PHE A 68 9.355 21.939 -0.100 1.00 0.00 O ATOM 1085 CB PHE A 68 8.820 20.241 -2.919 1.00 0.00 C ATOM 1086 CG PHE A 68 9.856 19.423 -2.203 1.00 0.00 C ATOM 1087 CD1 PHE A 68 9.672 19.050 -0.881 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.014 19.026 -2.852 1.00 0.00 C ATOM 1089 CE1 PHE A 68 10.624 18.297 -0.220 1.00 0.00 C ATOM 1090 CE2 PHE A 68 11.969 18.273 -2.196 1.00 0.00 C ATOM 1091 CZ PHE A 68 11.774 17.909 -0.877 1.00 0.00 C ATOM 0 H PHE A 68 10.715 22.213 -2.118 1.00 0.00 H new ATOM 0 HA PHE A 68 7.865 22.166 -2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.851 19.751 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.060 20.267 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.774 19.351 -0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.172 19.308 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.468 18.012 0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.867 17.969 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.520 17.322 -0.362 1.00 0.00 H new ATOM 1101 N SER A 69 7.224 21.342 -0.508 1.00 0.00 N ATOM 1102 CA SER A 69 6.851 21.298 0.901 1.00 0.00 C ATOM 1103 C SER A 69 6.710 19.857 1.382 1.00 0.00 C ATOM 1104 O SER A 69 6.128 19.016 0.696 1.00 0.00 O ATOM 1105 CB SER A 69 5.540 22.053 1.128 1.00 0.00 C ATOM 1106 OG SER A 69 4.725 21.387 2.077 1.00 0.00 O ATOM 0 H SER A 69 6.468 21.109 -1.152 1.00 0.00 H new ATOM 0 HA SER A 69 7.643 21.779 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.754 23.064 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.003 22.146 0.184 1.00 0.00 H new ATOM 0 HG SER A 69 4.294 20.615 1.654 1.00 0.00 H new ATOM 1112 N VAL A 70 7.248 19.579 2.565 1.00 0.00 N ATOM 1113 CA VAL A 70 7.183 18.240 3.139 1.00 0.00 C ATOM 1114 C VAL A 70 5.745 17.851 3.464 1.00 0.00 C ATOM 1115 O VAL A 70 5.372 16.681 3.379 1.00 0.00 O ATOM 1116 CB VAL A 70 8.033 18.136 4.419 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.200 19.110 4.366 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.175 18.386 5.650 1.00 0.00 C ATOM 0 H VAL A 70 7.734 20.263 3.145 1.00 0.00 H new ATOM 0 HA VAL A 70 7.582 17.555 2.391 1.00 0.00 H new ATOM 0 HB VAL A 70 8.437 17.126 4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.789 19.022 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.828 18.879 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.821 20.128 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.792 18.309 6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.740 19.384 5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.377 17.645 5.694 1.00 0.00 H new ATOM 1128 N LYS A 71 4.940 18.840 3.836 1.00 0.00 N ATOM 1129 CA LYS A 71 3.541 18.604 4.172 1.00 0.00 C ATOM 1130 C LYS A 71 2.732 18.262 2.925 1.00 0.00 C ATOM 1131 O LYS A 71 1.548 17.938 3.012 1.00 0.00 O ATOM 1132 CB LYS A 71 2.946 19.835 4.859 1.00 0.00 C ATOM 1133 CG LYS A 71 2.978 21.087 3.999 1.00 0.00 C ATOM 1134 CD LYS A 71 1.891 22.069 4.401 1.00 0.00 C ATOM 1135 CE LYS A 71 2.313 22.908 5.597 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.349 24.361 5.270 1.00 0.00 N ATOM 0 H LYS A 71 5.233 19.814 3.913 1.00 0.00 H new ATOM 0 HA LYS A 71 3.495 17.757 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.914 19.622 5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.493 20.025 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.953 21.566 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.852 20.813 2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.660 22.723 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.978 21.524 4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.621 22.738 6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.298 22.587 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.457 24.911 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.152 24.555 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.463 24.633 4.797 1.00 0.00 H new ATOM 1150 N ASP A 72 3.379 18.336 1.767 1.00 0.00 N ATOM 1151 CA ASP A 72 2.719 18.032 0.503 1.00 0.00 C ATOM 1152 C ASP A 72 3.620 17.185 -0.390 1.00 0.00 C ATOM 1153 O ASP A 72 4.402 17.698 -1.191 1.00 0.00 O ATOM 1154 CB ASP A 72 2.334 19.324 -0.220 1.00 0.00 C ATOM 1155 CG ASP A 72 2.489 19.214 -1.724 1.00 0.00 C ATOM 1156 OD1 ASP A 72 1.604 18.615 -2.369 1.00 0.00 O ATOM 1157 OD2 ASP A 72 3.496 19.727 -2.256 1.00 0.00 O ATOM 0 H ASP A 72 4.359 18.604 1.678 1.00 0.00 H new ATOM 0 HA ASP A 72 1.815 17.464 0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.301 19.576 0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.955 20.141 0.147 1.00 0.00 H new ATOM 1162 N PRO A 73 3.511 15.855 -0.250 1.00 0.00 N ATOM 1163 CA PRO A 73 4.309 14.908 -1.035 1.00 0.00 C ATOM 1164 C PRO A 73 3.901 14.885 -2.504 1.00 0.00 C ATOM 1165 O PRO A 73 3.386 13.883 -2.999 1.00 0.00 O ATOM 1166 CB PRO A 73 4.009 13.560 -0.375 1.00 0.00 C ATOM 1167 CG PRO A 73 2.670 13.735 0.254 1.00 0.00 C ATOM 1168 CD PRO A 73 2.601 15.174 0.686 1.00 0.00 C ATOM 0 HA PRO A 73 5.367 15.170 -1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.999 12.754 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.765 13.306 0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.873 13.501 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.548 13.066 1.105 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.586 15.566 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.921 15.299 1.720 1.00 0.00 H new ATOM 1176 N SER A 74 4.136 15.996 -3.196 1.00 0.00 N ATOM 1177 CA SER A 74 3.789 16.104 -4.608 1.00 0.00 C ATOM 1178 C SER A 74 5.003 15.820 -5.488 1.00 0.00 C ATOM 1179 O SER A 74 5.086 14.794 -6.163 1.00 0.00 O ATOM 1180 CB SER A 74 3.237 17.497 -4.915 1.00 0.00 C ATOM 1181 OG SER A 74 1.821 17.489 -4.947 1.00 0.00 O ATOM 0 H SER A 74 4.565 16.833 -2.802 1.00 0.00 H new ATOM 0 HA SER A 74 3.021 15.362 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.583 18.203 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.624 17.841 -5.874 1.00 0.00 H new ATOM 0 HG SER A 74 1.473 17.870 -4.114 1.00 0.00 H new ATOM 1187 N PRO A 75 5.968 16.752 -5.482 1.00 0.00 N ATOM 1188 CA PRO A 75 7.195 16.625 -6.273 1.00 0.00 C ATOM 1189 C PRO A 75 8.115 15.529 -5.747 1.00 0.00 C ATOM 1190 O PRO A 75 8.876 14.926 -6.504 1.00 0.00 O ATOM 1191 CB PRO A 75 7.858 17.997 -6.122 1.00 0.00 C ATOM 1192 CG PRO A 75 7.337 18.529 -4.832 1.00 0.00 C ATOM 1193 CD PRO A 75 5.935 18.000 -4.701 1.00 0.00 C ATOM 0 HA PRO A 75 6.986 16.348 -7.306 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.945 17.912 -6.105 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.602 18.654 -6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.957 18.203 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.345 19.619 -4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.671 17.816 -3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.202 18.703 -5.097 1.00 0.00 H new ATOM 1201 N LEU A 76 8.039 15.275 -4.445 1.00 0.00 N ATOM 1202 CA LEU A 76 8.865 14.250 -3.816 1.00 0.00 C ATOM 1203 C LEU A 76 8.667 12.899 -4.496 1.00 0.00 C ATOM 1204 O LEU A 76 9.610 12.320 -5.037 1.00 0.00 O ATOM 1205 CB LEU A 76 8.529 14.138 -2.328 1.00 0.00 C ATOM 1206 CG LEU A 76 9.399 13.181 -1.513 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.594 13.915 -0.924 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.581 12.521 -0.413 1.00 0.00 C ATOM 0 H LEU A 76 7.414 15.765 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 76 9.909 14.542 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.602 15.131 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.490 13.822 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 76 9.770 12.402 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.201 13.217 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.194 14.339 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.244 14.716 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.217 11.843 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.180 13.286 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.759 11.960 -0.858 1.00 0.00 H new ATOM 1220 N TYR A 77 7.435 12.402 -4.467 1.00 0.00 N ATOM 1221 CA TYR A 77 7.113 11.119 -5.080 1.00 0.00 C ATOM 1222 C TYR A 77 7.590 11.073 -6.528 1.00 0.00 C ATOM 1223 O TYR A 77 8.079 10.047 -7.000 1.00 0.00 O ATOM 1224 CB TYR A 77 5.606 10.865 -5.019 1.00 0.00 C ATOM 1225 CG TYR A 77 5.157 10.192 -3.741 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.374 8.835 -3.535 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.516 10.912 -2.742 1.00 0.00 C ATOM 1228 CE1 TYR A 77 4.965 8.215 -2.370 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.105 10.301 -1.573 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.331 8.953 -1.391 1.00 0.00 C ATOM 1231 OH TYR A 77 3.922 8.341 -0.229 1.00 0.00 O ATOM 0 H TYR A 77 6.643 12.869 -4.025 1.00 0.00 H new ATOM 0 HA TYR A 77 7.629 10.338 -4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.081 11.815 -5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.316 10.245 -5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.871 8.255 -4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.336 11.968 -2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.140 7.159 -2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.609 10.876 -0.805 1.00 0.00 H new ATOM 0 HH TYR A 77 3.494 9.001 0.355 1.00 0.00 H new ATOM 1241 N ASP A 78 7.444 12.192 -7.228 1.00 0.00 N ATOM 1242 CA ASP A 78 7.860 12.282 -8.623 1.00 0.00 C ATOM 1243 C ASP A 78 9.350 11.989 -8.765 1.00 0.00 C ATOM 1244 O ASP A 78 9.801 11.501 -9.801 1.00 0.00 O ATOM 1245 CB ASP A 78 7.545 13.670 -9.183 1.00 0.00 C ATOM 1246 CG ASP A 78 7.164 13.630 -10.650 1.00 0.00 C ATOM 1247 OD1 ASP A 78 8.079 13.611 -11.500 1.00 0.00 O ATOM 1248 OD2 ASP A 78 5.952 13.617 -10.948 1.00 0.00 O ATOM 0 H ASP A 78 7.040 13.050 -6.852 1.00 0.00 H new ATOM 0 HA ASP A 78 7.305 11.535 -9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.730 14.113 -8.611 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.413 14.316 -9.054 1.00 0.00 H new ATOM 1253 N MET A 79 10.110 12.290 -7.717 1.00 0.00 N ATOM 1254 CA MET A 79 11.550 12.058 -7.726 1.00 0.00 C ATOM 1255 C MET A 79 11.868 10.605 -7.388 1.00 0.00 C ATOM 1256 O MET A 79 12.746 9.994 -7.999 1.00 0.00 O ATOM 1257 CB MET A 79 12.244 12.989 -6.730 1.00 0.00 C ATOM 1258 CG MET A 79 13.347 12.313 -5.933 1.00 0.00 C ATOM 1259 SD MET A 79 14.114 13.418 -4.732 1.00 0.00 S ATOM 1260 CE MET A 79 13.034 13.188 -3.322 1.00 0.00 C ATOM 0 H MET A 79 9.753 12.695 -6.851 1.00 0.00 H new ATOM 0 HA MET A 79 11.921 12.269 -8.729 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.665 13.837 -7.270 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.501 13.388 -6.040 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.936 11.447 -5.414 1.00 0.00 H new ATOM 0 HG3 MET A 79 14.109 11.942 -6.618 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.279 13.920 -2.553 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.997 13.321 -3.632 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.167 12.183 -2.922 1.00 0.00 H new ATOM 1270 N LEU A 80 11.151 10.058 -6.413 1.00 0.00 N ATOM 1271 CA LEU A 80 11.358 8.676 -5.994 1.00 0.00 C ATOM 1272 C LEU A 80 11.025 7.709 -7.126 1.00 0.00 C ATOM 1273 O LEU A 80 11.663 6.665 -7.271 1.00 0.00 O ATOM 1274 CB LEU A 80 10.498 8.360 -4.769 1.00 0.00 C ATOM 1275 CG LEU A 80 10.943 9.001 -3.454 1.00 0.00 C ATOM 1276 CD1 LEU A 80 10.756 10.510 -3.506 1.00 0.00 C ATOM 1277 CD2 LEU A 80 10.173 8.406 -2.284 1.00 0.00 C ATOM 0 H LEU A 80 10.421 10.550 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 80 12.409 8.554 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.476 8.676 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.476 7.279 -4.634 1.00 0.00 H new ATOM 0 HG LEU A 80 12.003 8.792 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.078 10.949 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.352 10.923 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.704 10.741 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.502 8.874 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.107 8.585 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.358 7.333 -2.235 1.00 0.00 H new ATOM 1289 N ARG A 81 10.026 8.063 -7.926 1.00 0.00 N ATOM 1290 CA ARG A 81 9.610 7.227 -9.046 1.00 0.00 C ATOM 1291 C ARG A 81 10.815 6.778 -9.866 1.00 0.00 C ATOM 1292 O ARG A 81 10.957 5.597 -10.187 1.00 0.00 O ATOM 1293 CB ARG A 81 8.626 7.985 -9.939 1.00 0.00 C ATOM 1294 CG ARG A 81 9.296 8.764 -11.059 1.00 0.00 C ATOM 1295 CD ARG A 81 8.276 9.500 -11.914 1.00 0.00 C ATOM 1296 NE ARG A 81 7.976 8.780 -13.149 1.00 0.00 N ATOM 1297 CZ ARG A 81 7.157 9.241 -14.088 1.00 0.00 C ATOM 1298 NH1 ARG A 81 6.559 10.414 -13.933 1.00 0.00 N ATOM 1299 NH2 ARG A 81 6.935 8.527 -15.184 1.00 0.00 N ATOM 0 H ARG A 81 9.489 8.924 -7.820 1.00 0.00 H new ATOM 0 HA ARG A 81 9.117 6.343 -8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.921 7.276 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.047 8.674 -9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.001 9.479 -10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.872 8.082 -11.684 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.358 9.639 -11.343 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.655 10.493 -12.156 1.00 0.00 H new ATOM 0 HE ARG A 81 8.420 7.874 -13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.727 10.965 -13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.931 10.766 -14.656 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.393 7.624 -15.306 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.306 8.881 -15.905 1.00 0.00 H new ATOM 1313 N LYS A 82 11.682 7.727 -10.203 1.00 0.00 N ATOM 1314 CA LYS A 82 12.876 7.430 -10.986 1.00 0.00 C ATOM 1315 C LYS A 82 14.125 7.482 -10.112 1.00 0.00 C ATOM 1316 O LYS A 82 15.236 7.247 -10.586 1.00 0.00 O ATOM 1317 CB LYS A 82 13.010 8.420 -12.145 1.00 0.00 C ATOM 1318 CG LYS A 82 14.018 9.526 -11.887 1.00 0.00 C ATOM 1319 CD LYS A 82 13.609 10.389 -10.705 1.00 0.00 C ATOM 1320 CE LYS A 82 12.819 11.609 -11.152 1.00 0.00 C ATOM 1321 NZ LYS A 82 12.533 11.579 -12.613 1.00 0.00 N ATOM 0 H LYS A 82 11.580 8.709 -9.946 1.00 0.00 H new ATOM 0 HA LYS A 82 12.776 6.422 -11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.302 7.877 -13.044 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.036 8.867 -12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.998 9.089 -11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.113 10.148 -12.777 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.008 9.799 -10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.498 10.709 -10.162 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.881 11.657 -10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.378 12.513 -10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.855 12.331 -12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.415 11.729 -13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.129 10.656 -12.869 1.00 0.00 H new ATOM 1335 N ASN A 83 13.935 7.790 -8.833 1.00 0.00 N ATOM 1336 CA ASN A 83 15.047 7.871 -7.893 1.00 0.00 C ATOM 1337 C ASN A 83 15.095 6.637 -6.998 1.00 0.00 C ATOM 1338 O ASN A 83 16.117 5.954 -6.916 1.00 0.00 O ATOM 1339 CB ASN A 83 14.926 9.132 -7.035 1.00 0.00 C ATOM 1340 CG ASN A 83 16.083 9.286 -6.067 1.00 0.00 C ATOM 1341 OD1 ASN A 83 17.017 8.485 -6.066 1.00 0.00 O ATOM 1342 ND2 ASN A 83 16.024 10.320 -5.235 1.00 0.00 N ATOM 0 H ASN A 83 13.022 7.988 -8.424 1.00 0.00 H new ATOM 0 HA ASN A 83 15.972 7.917 -8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.880 10.007 -7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.990 9.100 -6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.773 10.475 -4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.230 10.959 -5.271 1.00 0.00 H new ATOM 1349 N LEU A 84 13.982 6.355 -6.329 1.00 0.00 N ATOM 1350 CA LEU A 84 13.895 5.202 -5.440 1.00 0.00 C ATOM 1351 C LEU A 84 14.025 3.899 -6.223 1.00 0.00 C ATOM 1352 O LEU A 84 13.046 3.388 -6.766 1.00 0.00 O ATOM 1353 CB LEU A 84 12.570 5.220 -4.676 1.00 0.00 C ATOM 1354 CG LEU A 84 12.652 4.907 -3.182 1.00 0.00 C ATOM 1355 CD1 LEU A 84 13.862 4.035 -2.885 1.00 0.00 C ATOM 1356 CD2 LEU A 84 12.706 6.193 -2.369 1.00 0.00 C ATOM 0 H LEU A 84 13.128 6.909 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 84 14.719 5.261 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.118 6.204 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.896 4.501 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 84 11.755 4.358 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.904 3.823 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.781 3.099 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.770 4.557 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.764 5.950 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.585 6.770 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.808 6.781 -2.558 1.00 0.00 H new ATOM 1368 N VAL A 85 15.241 3.365 -6.275 1.00 0.00 N ATOM 1369 CA VAL A 85 15.500 2.120 -6.989 1.00 0.00 C ATOM 1370 C VAL A 85 14.636 0.987 -6.447 1.00 0.00 C ATOM 1371 O VAL A 85 15.049 0.249 -5.551 1.00 0.00 O ATOM 1372 CB VAL A 85 16.982 1.713 -6.890 1.00 0.00 C ATOM 1373 CG1 VAL A 85 17.139 0.214 -7.092 1.00 0.00 C ATOM 1374 CG2 VAL A 85 17.814 2.486 -7.902 1.00 0.00 C ATOM 0 H VAL A 85 16.063 3.775 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 85 15.249 2.297 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 85 17.343 1.960 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.193 -0.055 -7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.575 -0.317 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.762 -0.062 -8.077 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.859 2.187 -7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.454 2.272 -8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.726 3.554 -7.705 1.00 0.00 H new ATOM 1499 N PHE B 119 10.778 18.933 11.882 1.00 0.00 N ATOM 1500 CA PHE B 119 10.785 17.941 10.813 1.00 0.00 C ATOM 1501 C PHE B 119 10.124 16.644 11.271 1.00 0.00 C ATOM 1502 O PHE B 119 9.181 16.160 10.644 1.00 0.00 O ATOM 1503 CB PHE B 119 12.218 17.662 10.357 1.00 0.00 C ATOM 1504 CG PHE B 119 12.377 17.635 8.863 1.00 0.00 C ATOM 1505 CD1 PHE B 119 11.286 17.399 8.042 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.617 17.843 8.281 1.00 0.00 C ATOM 1507 CE1 PHE B 119 11.429 17.373 6.667 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.765 17.819 6.907 1.00 0.00 C ATOM 1509 CZ PHE B 119 12.670 17.582 6.099 1.00 0.00 C ATOM 0 HA PHE B 119 10.216 18.343 9.975 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.878 18.425 10.771 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.541 16.705 10.766 1.00 0.00 H new ATOM 0 HD1 PHE B 119 10.313 17.234 8.481 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.477 18.026 8.908 1.00 0.00 H new ATOM 0 HE1 PHE B 119 10.571 17.189 6.038 1.00 0.00 H new ATOM 0 HE2 PHE B 119 14.736 17.985 6.465 1.00 0.00 H new ATOM 0 HZ PHE B 119 12.784 17.560 5.025 1.00 0.00 H new ATOM 1519 N SER B 120 10.626 16.086 12.368 1.00 0.00 N ATOM 1520 CA SER B 120 10.088 14.843 12.908 1.00 0.00 C ATOM 1521 C SER B 120 8.595 14.974 13.190 1.00 0.00 C ATOM 1522 O SER B 120 7.865 13.983 13.203 1.00 0.00 O ATOM 1523 CB SER B 120 10.829 14.456 14.189 1.00 0.00 C ATOM 1524 OG SER B 120 11.771 13.426 13.943 1.00 0.00 O ATOM 0 H SER B 120 11.404 16.475 12.900 1.00 0.00 H new ATOM 0 HA SER B 120 10.231 14.060 12.163 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.339 15.329 14.596 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.113 14.126 14.941 1.00 0.00 H new ATOM 0 HG SER B 120 12.232 13.198 14.777 1.00 0.00 H new ATOM 1530 N ASP B 121 8.148 16.205 13.415 1.00 0.00 N ATOM 1531 CA ASP B 121 6.741 16.468 13.696 1.00 0.00 C ATOM 1532 C ASP B 121 5.898 16.321 12.434 1.00 0.00 C ATOM 1533 O ASP B 121 4.918 15.574 12.412 1.00 0.00 O ATOM 1534 CB ASP B 121 6.570 17.872 14.278 1.00 0.00 C ATOM 1535 CG ASP B 121 7.550 18.158 15.399 1.00 0.00 C ATOM 1536 OD1 ASP B 121 8.376 17.273 15.704 1.00 0.00 O ATOM 1537 OD2 ASP B 121 7.491 19.267 15.971 1.00 0.00 O ATOM 0 H ASP B 121 8.739 17.036 13.408 1.00 0.00 H new ATOM 0 HA ASP B 121 6.398 15.735 14.427 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.703 18.609 13.486 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.552 17.986 14.651 1.00 0.00 H new ATOM 1542 N LEU B 122 6.284 17.037 11.384 1.00 0.00 N ATOM 1543 CA LEU B 122 5.563 16.987 10.117 1.00 0.00 C ATOM 1544 C LEU B 122 6.017 15.797 9.278 1.00 0.00 C ATOM 1545 O LEU B 122 5.201 14.985 8.842 1.00 0.00 O ATOM 1546 CB LEU B 122 5.774 18.286 9.336 1.00 0.00 C ATOM 1547 CG LEU B 122 4.861 19.453 9.715 1.00 0.00 C ATOM 1548 CD1 LEU B 122 5.387 20.754 9.128 1.00 0.00 C ATOM 1549 CD2 LEU B 122 3.438 19.190 9.246 1.00 0.00 C ATOM 0 H LEU B 122 7.092 17.659 11.385 1.00 0.00 H new ATOM 0 HA LEU B 122 4.502 16.870 10.336 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.809 18.602 9.469 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.639 18.075 8.275 1.00 0.00 H new ATOM 0 HG LEU B 122 4.853 19.546 10.801 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.725 21.573 9.408 1.00 0.00 H new ATOM 0 HD12 LEU B 122 6.388 20.949 9.513 1.00 0.00 H new ATOM 0 HD13 LEU B 122 5.426 20.674 8.042 1.00 0.00 H new ATOM 0 HD21 LEU B 122 2.802 20.030 9.524 1.00 0.00 H new ATOM 0 HD22 LEU B 122 3.428 19.070 8.163 1.00 0.00 H new ATOM 0 HD23 LEU B 122 3.063 18.280 9.715 1.00 0.00 H new ATOM 1561 N TRP B 123 7.323 15.699 9.059 1.00 0.00 N ATOM 1562 CA TRP B 123 7.886 14.606 8.274 1.00 0.00 C ATOM 1563 C TRP B 123 7.108 13.315 8.502 1.00 0.00 C ATOM 1564 O TRP B 123 6.610 12.703 7.558 1.00 0.00 O ATOM 1565 CB TRP B 123 9.359 14.399 8.633 1.00 0.00 C ATOM 1566 CG TRP B 123 10.124 13.641 7.590 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.798 12.466 7.761 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.293 14.008 6.216 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.377 12.080 6.576 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.081 13.008 5.613 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.854 15.081 5.437 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.439 13.054 4.268 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.210 15.125 4.103 1.00 0.00 C ATOM 1574 CH2 TRP B 123 10.995 14.117 3.529 1.00 0.00 C ATOM 0 H TRP B 123 8.012 16.362 9.414 1.00 0.00 H new ATOM 0 HA TRP B 123 7.810 14.872 7.220 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.829 15.371 8.783 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.423 13.864 9.581 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.866 11.920 8.691 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.937 11.239 6.436 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.247 15.862 5.870 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 12.045 12.278 3.824 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.877 15.951 3.492 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.255 14.180 2.483 1.00 0.00 H new ATOM 1585 N LYS B 124 7.008 12.905 9.762 1.00 0.00 N ATOM 1586 CA LYS B 124 6.289 11.686 10.116 1.00 0.00 C ATOM 1587 C LYS B 124 5.010 11.552 9.295 1.00 0.00 C ATOM 1588 O LYS B 124 4.698 10.474 8.785 1.00 0.00 O ATOM 1589 CB LYS B 124 5.951 11.684 11.608 1.00 0.00 C ATOM 1590 CG LYS B 124 5.664 10.300 12.165 1.00 0.00 C ATOM 1591 CD LYS B 124 5.505 10.328 13.676 1.00 0.00 C ATOM 1592 CE LYS B 124 5.435 8.923 14.255 1.00 0.00 C ATOM 1593 NZ LYS B 124 6.757 8.467 14.764 1.00 0.00 N ATOM 0 H LYS B 124 7.416 13.399 10.556 1.00 0.00 H new ATOM 0 HA LYS B 124 6.934 10.836 9.894 1.00 0.00 H new ATOM 0 HB2 LYS B 124 6.781 12.124 12.161 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.083 12.321 11.776 1.00 0.00 H new ATOM 0 HG2 LYS B 124 4.756 9.905 11.710 1.00 0.00 H new ATOM 0 HG3 LYS B 124 6.475 9.623 11.896 1.00 0.00 H new ATOM 0 HD2 LYS B 124 6.343 10.865 14.121 1.00 0.00 H new ATOM 0 HD3 LYS B 124 4.600 10.876 13.938 1.00 0.00 H new ATOM 0 HE2 LYS B 124 4.706 8.900 15.065 1.00 0.00 H new ATOM 0 HE3 LYS B 124 5.082 8.232 13.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 6.667 7.506 15.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 7.447 8.465 13.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 7.082 9.112 15.512 1.00 0.00 H new ATOM 1607 N LEU B 125 4.275 12.651 9.169 1.00 0.00 N ATOM 1608 CA LEU B 125 3.031 12.655 8.407 1.00 0.00 C ATOM 1609 C LEU B 125 3.273 12.220 6.966 1.00 0.00 C ATOM 1610 O LEU B 125 2.456 11.513 6.374 1.00 0.00 O ATOM 1611 CB LEU B 125 2.400 14.049 8.432 1.00 0.00 C ATOM 1612 CG LEU B 125 0.875 14.097 8.330 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.319 15.232 9.176 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.442 14.249 6.879 1.00 0.00 C ATOM 0 H LEU B 125 4.518 13.550 9.584 1.00 0.00 H new ATOM 0 HA LEU B 125 2.347 11.944 8.871 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.698 14.544 9.356 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.818 14.630 7.610 1.00 0.00 H new ATOM 0 HG LEU B 125 0.475 13.158 8.711 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.768 15.251 9.091 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.599 15.080 10.218 1.00 0.00 H new ATOM 0 HD13 LEU B 125 0.727 16.180 8.826 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.646 14.281 6.826 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.853 15.173 6.472 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.809 13.402 6.299 1.00 0.00 H new ATOM 1626 N LEU B 126 4.400 12.644 6.406 1.00 0.00 N ATOM 1627 CA LEU B 126 4.752 12.297 5.034 1.00 0.00 C ATOM 1628 C LEU B 126 4.542 10.808 4.778 1.00 0.00 C ATOM 1629 O LEU B 126 5.324 9.962 5.212 1.00 0.00 O ATOM 1630 CB LEU B 126 6.206 12.675 4.748 1.00 0.00 C ATOM 1631 CG LEU B 126 6.550 12.960 3.286 1.00 0.00 C ATOM 1632 CD1 LEU B 126 5.448 13.776 2.627 1.00 0.00 C ATOM 1633 CD2 LEU B 126 7.885 13.684 3.183 1.00 0.00 C ATOM 0 H LEU B 126 5.087 13.229 6.882 1.00 0.00 H new ATOM 0 HA LEU B 126 4.099 12.858 4.365 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.454 13.558 5.337 1.00 0.00 H new ATOM 0 HB3 LEU B 126 6.847 11.867 5.100 1.00 0.00 H new ATOM 0 HG LEU B 126 6.633 12.008 2.761 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.711 13.969 1.587 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.511 13.221 2.668 1.00 0.00 H new ATOM 0 HD13 LEU B 126 5.332 14.723 3.154 1.00 0.00 H new ATOM 0 HD21 LEU B 126 8.114 13.879 2.135 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.829 14.629 3.724 1.00 0.00 H new ATOM 0 HD23 LEU B 126 8.670 13.064 3.616 1.00 0.00 H new