USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 834 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 84 ASN : amide:sc= 0.77 K(o=3,f=-2.7!) USER MOD Set 1.2: A 86 TYR OH : rot -22:sc= 2.18 USER MOD Set 2.1: A 51 HIS : no HD1:sc= -0.785 X(o=-0.6,f=-0.46) USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0.182 USER MOD Set 3.1: A 24 HIS : no HE2:sc= 0.412 K(o=0.87,f=-0.34) USER MOD Set 3.2: A 50 TYR OH : rot 160:sc= 0.459 USER MOD Set 4.1: A 9 HIS : no HE2:sc= -0.971! C(o=0.99!,f=-3.7!) USER MOD Set 4.2: A 19 SER OG : rot 180:sc= 0.132 USER MOD Set 4.3: A 20 SER OG : rot 97:sc= 0.977 USER MOD Set 4.4: A 22 SER OG : rot -178:sc= 0.849 USER MOD Set 5.1: A 6 ASN : amide:sc= 0.253 K(o=1,f=-5!) USER MOD Set 5.2: A 25 ASN : amide:sc= 0.923 K(o=1,f=-1.5) USER MOD Set 5.3: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.4: A 89 GLN : amide:sc= -0.164 X(o=1,f=1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 1.12 (180deg=-0.324) USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 1.15 (180deg=0.978) USER MOD Single : A 14 HIS : no HD1:sc= 0.369 K(o=0.37,f=-2!) USER MOD Single : A 15 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00922) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= -0.0739 (180deg=-0.439) USER MOD Single : A 27 TYR OH : rot 153:sc= -0.0173 USER MOD Single : A 28 CYS SG : rot -67:sc= 0.692 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.5!) USER MOD Single : A 35 MET CE :methyl -146:sc= -0.448 (180deg=-3.74!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 1.18 (180deg=1.12) USER MOD Single : A 43 SER OG : rot 160:sc= 0 USER MOD Single : A 46 SER OG : rot 81:sc= 0.161 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.103 (180deg=-0.49) USER MOD Single : A 63 CYS SG : rot 26:sc= -0.0368 USER MOD Single : A 69 TYR OH : rot 0:sc= 0.233 USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.12) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= -0.04 (180deg=-0.287) USER MOD Single : A 74 HIS : no HE2:sc= 0.178 K(o=0.18,f=-1) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.14) USER MOD Single : A 81 SER OG : rot 180:sc= 0.131 USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= 2.24 (180deg=1.32!) USER MOD Single : A 96 MET CE :methyl 153:sc= -0.266 (180deg=-1.65) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 70:sc= 1.08 USER MOD Single : A 105 SER OG : rot 70:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.967 -13.527 -16.261 1.00 1.74 N ATOM 2 CA MET A 1 -9.111 -12.160 -16.820 1.00 1.02 C ATOM 3 C MET A 1 -9.145 -11.170 -15.658 1.00 0.87 C ATOM 4 O MET A 1 -10.199 -10.921 -15.067 1.00 1.29 O ATOM 5 CB MET A 1 -10.379 -12.038 -17.692 1.00 1.60 C ATOM 6 CG MET A 1 -10.077 -11.354 -19.025 1.00 2.33 C ATOM 7 SD MET A 1 -9.379 -9.706 -18.822 1.00 3.31 S ATOM 8 CE MET A 1 -10.124 -8.842 -20.213 1.00 4.33 C ATOM 0 H1 MET A 1 -8.045 -13.920 -16.539 1.00 1.74 H new ATOM 0 H2 MET A 1 -9.027 -13.486 -15.224 1.00 1.74 H new ATOM 0 H3 MET A 1 -9.727 -14.134 -16.628 1.00 1.74 H new ATOM 0 HA MET A 1 -8.264 -11.940 -17.470 1.00 1.02 H new ATOM 0 HB2 MET A 1 -10.792 -13.030 -17.876 1.00 1.60 H new ATOM 0 HB3 MET A 1 -11.139 -11.471 -17.154 1.00 1.60 H new ATOM 0 HG2 MET A 1 -9.382 -11.970 -19.595 1.00 2.33 H new ATOM 0 HG3 MET A 1 -10.995 -11.285 -19.609 1.00 2.33 H new ATOM 0 HE1 MET A 1 -9.786 -7.806 -20.221 1.00 4.33 H new ATOM 0 HE2 MET A 1 -9.829 -9.327 -21.143 1.00 4.33 H new ATOM 0 HE3 MET A 1 -11.210 -8.869 -20.119 1.00 4.33 H new ATOM 20 N GLU A 2 -7.966 -10.653 -15.303 1.00 0.51 N ATOM 21 CA GLU A 2 -7.804 -9.727 -14.181 1.00 0.37 C ATOM 22 C GLU A 2 -7.316 -8.360 -14.671 1.00 0.34 C ATOM 23 O GLU A 2 -6.387 -8.280 -15.482 1.00 0.48 O ATOM 24 CB GLU A 2 -6.788 -10.308 -13.184 1.00 0.53 C ATOM 25 CG GLU A 2 -7.351 -11.525 -12.437 1.00 0.96 C ATOM 26 CD GLU A 2 -7.489 -12.744 -13.347 1.00 1.61 C ATOM 27 OE1 GLU A 2 -6.472 -13.187 -13.922 1.00 2.09 O ATOM 28 OE2 GLU A 2 -8.622 -13.255 -13.498 1.00 2.16 O ATOM 0 H GLU A 2 -7.094 -10.866 -15.788 1.00 0.51 H new ATOM 0 HA GLU A 2 -8.770 -9.596 -13.694 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.881 -10.596 -13.716 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.505 -9.539 -12.465 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.697 -11.770 -11.600 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.325 -11.274 -12.018 1.00 0.96 H new ATOM 35 N GLY A 3 -7.933 -7.299 -14.158 1.00 0.25 N ATOM 36 CA GLY A 3 -7.566 -5.926 -14.513 1.00 0.28 C ATOM 37 C GLY A 3 -8.605 -4.938 -13.985 1.00 0.22 C ATOM 38 O GLY A 3 -9.542 -5.321 -13.273 1.00 0.22 O ATOM 0 H GLY A 3 -8.699 -7.363 -13.487 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.586 -5.687 -14.099 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.486 -5.834 -15.596 1.00 0.28 H new ATOM 42 N PHE A 4 -8.427 -3.663 -14.326 1.00 0.24 N ATOM 43 CA PHE A 4 -9.333 -2.602 -13.883 1.00 0.21 C ATOM 44 C PHE A 4 -10.547 -2.491 -14.805 1.00 0.22 C ATOM 45 O PHE A 4 -10.457 -2.725 -16.013 1.00 0.27 O ATOM 46 CB PHE A 4 -8.593 -1.260 -13.837 1.00 0.23 C ATOM 47 CG PHE A 4 -7.770 -1.083 -12.584 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.383 -0.680 -11.407 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.404 -1.308 -12.607 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.633 -0.505 -10.262 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.655 -1.133 -11.455 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.269 -0.731 -10.284 1.00 0.41 C ATOM 0 H PHE A 4 -7.658 -3.337 -14.912 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.684 -2.857 -12.883 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -7.941 -1.181 -14.707 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.318 -0.449 -13.907 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.448 -0.503 -11.387 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.923 -1.620 -13.522 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.112 -0.191 -9.347 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.590 -1.311 -11.472 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.684 -0.593 -9.387 1.00 0.41 H new ATOM 62 N LEU A 5 -11.674 -2.119 -14.213 1.00 0.19 N ATOM 63 CA LEU A 5 -12.940 -1.949 -14.927 1.00 0.21 C ATOM 64 C LEU A 5 -13.752 -0.839 -14.261 1.00 0.20 C ATOM 65 O LEU A 5 -13.720 -0.676 -13.039 1.00 0.21 O ATOM 66 CB LEU A 5 -13.756 -3.259 -14.889 1.00 0.23 C ATOM 67 CG LEU A 5 -13.672 -4.043 -16.199 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.506 -5.319 -16.100 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.139 -3.197 -17.382 1.00 0.31 C ATOM 0 H LEU A 5 -11.740 -1.924 -13.214 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.727 -1.688 -15.964 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.395 -3.884 -14.072 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.799 -3.027 -14.675 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.629 -4.309 -16.368 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.440 -5.871 -17.038 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.128 -5.939 -15.287 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.546 -5.059 -15.904 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.067 -3.782 -18.299 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.174 -2.893 -17.226 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.509 -2.311 -17.467 1.00 0.31 H new ATOM 81 N ASN A 6 -14.519 -0.104 -15.059 1.00 0.22 N ATOM 82 CA ASN A 6 -15.383 0.956 -14.538 1.00 0.23 C ATOM 83 C ASN A 6 -16.727 0.317 -14.210 1.00 0.22 C ATOM 84 O ASN A 6 -17.317 -0.329 -15.069 1.00 0.26 O ATOM 85 CB ASN A 6 -15.526 2.081 -15.583 1.00 0.28 C ATOM 86 CG ASN A 6 -14.812 3.363 -15.145 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.025 3.371 -14.197 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.072 4.453 -15.850 1.00 1.24 N ATOM 0 H ASN A 6 -14.562 -0.221 -16.071 1.00 0.22 H new ATOM 0 HA ASN A 6 -14.962 1.410 -13.641 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.117 1.745 -16.536 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.583 2.292 -15.747 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -14.615 5.334 -15.614 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -15.729 4.412 -16.629 1.00 1.24 H new ATOM 95 N ARG A 7 -17.180 0.445 -12.958 1.00 0.23 N ATOM 96 CA ARG A 7 -18.437 -0.172 -12.512 1.00 0.24 C ATOM 97 C ARG A 7 -19.461 0.879 -12.080 1.00 0.25 C ATOM 98 O ARG A 7 -19.158 1.774 -11.285 1.00 0.32 O ATOM 99 CB ARG A 7 -18.154 -1.142 -11.348 1.00 0.28 C ATOM 100 CG ARG A 7 -19.428 -1.860 -10.884 1.00 0.34 C ATOM 101 CD ARG A 7 -19.114 -3.047 -9.960 1.00 0.54 C ATOM 102 NE ARG A 7 -18.914 -2.601 -8.577 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.226 -3.373 -7.531 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.544 -4.490 -7.304 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.225 -3.027 -6.733 1.00 1.71 N ATOM 0 H ARG A 7 -16.694 0.972 -12.232 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.861 -0.720 -13.354 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.414 -1.879 -11.660 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.722 -0.591 -10.512 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.072 -1.154 -10.361 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.982 -2.214 -11.753 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.931 -3.768 -9.998 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.219 -3.560 -10.313 1.00 0.54 H new ATOM 0 HE ARG A 7 -18.525 -1.673 -8.408 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.783 -4.758 -7.928 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.782 -5.079 -6.506 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.753 -2.174 -6.918 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.466 -3.613 -5.934 1.00 1.71 H new ATOM 119 N LYS A 8 -20.682 0.733 -12.593 1.00 0.27 N ATOM 120 CA LYS A 8 -21.800 1.618 -12.273 1.00 0.29 C ATOM 121 C LYS A 8 -22.944 0.767 -11.747 1.00 0.29 C ATOM 122 O LYS A 8 -23.382 -0.175 -12.413 1.00 0.38 O ATOM 123 CB LYS A 8 -22.236 2.379 -13.523 1.00 0.36 C ATOM 124 CG LYS A 8 -23.321 3.427 -13.228 1.00 0.37 C ATOM 125 CD LYS A 8 -24.557 3.246 -14.125 1.00 0.50 C ATOM 126 CE LYS A 8 -25.838 3.624 -13.377 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.980 3.873 -14.303 1.00 1.02 N ATOM 0 H LYS A 8 -20.925 -0.010 -13.248 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.502 2.346 -11.519 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.370 2.872 -13.964 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.611 1.671 -14.262 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.619 3.356 -12.182 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.910 4.426 -13.375 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.457 3.864 -15.017 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.619 2.211 -14.460 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.102 2.824 -12.685 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.657 4.517 -12.778 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.811 4.175 -13.756 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.722 4.619 -14.980 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.205 2.999 -14.820 1.00 1.02 H new ATOM 141 N HIS A 9 -23.412 1.085 -10.550 1.00 0.43 N ATOM 142 CA HIS A 9 -24.499 0.338 -9.921 1.00 0.52 C ATOM 143 C HIS A 9 -25.863 0.937 -10.277 1.00 0.58 C ATOM 144 O HIS A 9 -26.189 2.059 -9.885 1.00 0.73 O ATOM 145 CB HIS A 9 -24.299 0.266 -8.392 1.00 0.68 C ATOM 146 CG HIS A 9 -24.067 1.588 -7.697 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.062 1.718 -6.335 1.00 1.21 N ATOM 148 CD2 HIS A 9 -23.804 2.839 -8.165 1.00 1.22 C ATOM 149 CE1 HIS A 9 -23.813 2.954 -5.976 1.00 1.69 C ATOM 150 NE2 HIS A 9 -23.648 3.671 -7.073 1.00 1.75 N ATOM 0 H HIS A 9 -23.056 1.859 -9.989 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.479 -0.680 -10.311 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.177 -0.206 -7.951 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.450 -0.386 -8.186 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.230 0.952 -5.683 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -23.731 3.129 -9.203 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.753 3.321 -4.962 1.00 1.69 H new ATOM 158 N GLU A 10 -26.660 0.162 -11.018 1.00 0.60 N ATOM 159 CA GLU A 10 -28.008 0.575 -11.432 1.00 0.73 C ATOM 160 C GLU A 10 -29.001 0.249 -10.317 1.00 0.83 C ATOM 161 O GLU A 10 -29.880 1.046 -9.993 1.00 1.00 O ATOM 162 CB GLU A 10 -28.401 -0.153 -12.728 1.00 0.79 C ATOM 163 CG GLU A 10 -29.641 0.475 -13.383 1.00 1.28 C ATOM 164 CD GLU A 10 -29.266 1.733 -14.159 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.334 1.670 -14.987 1.00 1.52 O ATOM 166 OE2 GLU A 10 -29.890 2.789 -13.936 1.00 1.72 O ATOM 0 H GLU A 10 -26.393 -0.766 -11.348 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.021 1.649 -11.619 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.566 -0.124 -13.428 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.598 -1.203 -12.510 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.108 -0.246 -14.054 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.377 0.721 -12.617 1.00 1.28 H new ATOM 173 N TRP A 11 -28.837 -0.934 -9.731 1.00 0.82 N ATOM 174 CA TRP A 11 -29.690 -1.400 -8.643 1.00 0.96 C ATOM 175 C TRP A 11 -28.936 -2.436 -7.810 1.00 0.94 C ATOM 176 O TRP A 11 -28.340 -3.367 -8.359 1.00 0.84 O ATOM 177 CB TRP A 11 -30.978 -2.015 -9.219 1.00 1.08 C ATOM 178 CG TRP A 11 -31.919 -2.554 -8.166 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.543 -1.843 -7.180 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.332 -3.929 -7.987 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.310 -2.696 -6.441 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.204 -3.967 -6.895 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.050 -5.123 -8.645 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.791 -5.140 -6.456 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.635 -6.305 -8.210 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.497 -6.312 -7.128 1.00 1.53 C ATOM 0 H TRP A 11 -28.109 -1.596 -9.998 1.00 0.82 H new ATOM 0 HA TRP A 11 -29.958 -0.558 -8.005 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.499 -1.259 -9.807 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.711 -2.822 -9.902 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -32.445 -0.780 -7.013 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -33.888 -2.413 -5.650 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.379 -5.130 -9.491 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.462 -5.140 -5.610 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.414 -7.230 -8.722 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.944 -7.241 -6.806 1.00 1.53 H new ATOM 197 N GLU A 12 -28.990 -2.277 -6.491 1.00 1.16 N ATOM 198 CA GLU A 12 -28.346 -3.202 -5.558 1.00 1.26 C ATOM 199 C GLU A 12 -28.865 -2.943 -4.136 1.00 1.56 C ATOM 200 O GLU A 12 -28.103 -2.959 -3.166 1.00 2.03 O ATOM 201 CB GLU A 12 -26.811 -3.066 -5.613 1.00 1.34 C ATOM 202 CG GLU A 12 -26.343 -1.608 -5.517 1.00 1.63 C ATOM 203 CD GLU A 12 -24.840 -1.544 -5.241 1.00 1.81 C ATOM 204 OE1 GLU A 12 -24.151 -2.577 -5.376 1.00 2.05 O ATOM 205 OE2 GLU A 12 -24.339 -0.456 -4.893 1.00 2.09 O ATOM 0 H GLU A 12 -29.480 -1.506 -6.037 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.596 -4.223 -5.848 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.370 -3.640 -4.798 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -26.445 -3.501 -6.543 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.571 -1.085 -6.446 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -26.887 -1.097 -4.722 1.00 1.63 H new ATOM 212 N ALA A 13 -30.171 -2.696 -4.026 1.00 1.77 N ATOM 213 CA ALA A 13 -30.819 -2.420 -2.740 1.00 2.14 C ATOM 214 C ALA A 13 -32.323 -2.628 -2.875 1.00 2.15 C ATOM 215 O ALA A 13 -32.932 -2.159 -3.835 1.00 2.54 O ATOM 216 CB ALA A 13 -30.535 -0.979 -2.301 1.00 2.70 C ATOM 0 H ALA A 13 -30.809 -2.681 -4.822 1.00 1.77 H new ATOM 0 HA ALA A 13 -30.421 -3.101 -1.988 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -31.022 -0.787 -1.345 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -29.460 -0.836 -2.196 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -30.921 -0.288 -3.050 1.00 2.70 H new ATOM 222 N HIS A 14 -32.921 -3.322 -1.911 1.00 2.38 N ATOM 223 CA HIS A 14 -34.371 -3.591 -1.918 1.00 2.81 C ATOM 224 C HIS A 14 -35.159 -2.296 -1.656 1.00 2.77 C ATOM 225 O HIS A 14 -35.527 -1.994 -0.520 1.00 3.31 O ATOM 226 CB HIS A 14 -34.748 -4.686 -0.887 1.00 3.51 C ATOM 227 CG HIS A 14 -33.894 -4.711 0.354 1.00 3.99 C ATOM 228 ND1 HIS A 14 -32.622 -5.221 0.384 1.00 4.73 N ATOM 229 CD2 HIS A 14 -34.132 -4.290 1.621 1.00 4.33 C ATOM 230 CE1 HIS A 14 -32.104 -5.125 1.582 1.00 5.34 C ATOM 231 NE2 HIS A 14 -33.004 -4.558 2.371 1.00 5.13 N ATOM 0 H HIS A 14 -32.428 -3.713 -1.108 1.00 2.38 H new ATOM 0 HA HIS A 14 -34.639 -3.965 -2.906 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -35.788 -4.544 -0.592 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -34.685 -5.659 -1.373 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -35.040 -3.828 1.979 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -31.117 -5.451 1.875 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -32.884 -4.354 3.363 1.00 5.13 H new ATOM 239 N ASN A 15 -35.393 -1.536 -2.728 1.00 2.64 N ATOM 240 CA ASN A 15 -36.114 -0.260 -2.673 1.00 2.83 C ATOM 241 C ASN A 15 -36.424 0.191 -4.111 1.00 2.48 C ATOM 242 O ASN A 15 -37.427 -0.225 -4.694 1.00 2.96 O ATOM 243 CB ASN A 15 -35.258 0.785 -1.922 1.00 3.64 C ATOM 244 CG ASN A 15 -35.976 2.134 -1.796 1.00 4.19 C ATOM 245 OD1 ASN A 15 -37.137 2.200 -1.390 1.00 4.25 O ATOM 246 ND2 ASN A 15 -35.281 3.209 -2.140 1.00 4.99 N ATOM 0 H ASN A 15 -35.085 -1.790 -3.667 1.00 2.64 H new ATOM 0 HA ASN A 15 -37.054 -0.370 -2.132 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -35.017 0.409 -0.928 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -34.313 0.925 -2.448 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -35.706 4.134 -2.073 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -34.321 3.111 -2.472 1.00 4.99 H new ATOM 253 N LYS A 16 -35.541 1.012 -4.686 1.00 2.30 N ATOM 254 CA LYS A 16 -35.684 1.502 -6.063 1.00 2.46 C ATOM 255 C LYS A 16 -34.350 2.095 -6.519 1.00 2.10 C ATOM 256 O LYS A 16 -33.942 3.164 -6.056 1.00 2.44 O ATOM 257 CB LYS A 16 -36.808 2.546 -6.179 1.00 3.26 C ATOM 258 CG LYS A 16 -36.863 3.497 -4.978 1.00 3.87 C ATOM 259 CD LYS A 16 -37.609 4.793 -5.326 1.00 4.83 C ATOM 260 CE LYS A 16 -38.381 5.343 -4.122 1.00 5.52 C ATOM 261 NZ LYS A 16 -39.617 4.556 -3.854 1.00 6.03 N ATOM 0 H LYS A 16 -34.706 1.357 -4.212 1.00 2.30 H new ATOM 0 HA LYS A 16 -35.957 0.666 -6.707 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -36.665 3.127 -7.090 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -37.765 2.033 -6.275 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -37.359 3.003 -4.143 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -35.850 3.734 -4.653 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -36.896 5.541 -5.674 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -38.301 4.605 -6.147 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -37.740 5.326 -3.240 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -38.645 6.385 -4.304 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -40.173 5.025 -3.111 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -40.184 4.493 -4.724 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -39.358 3.599 -3.540 1.00 6.03 H new ATOM 275 N LYS A 17 -33.659 1.371 -7.404 1.00 1.88 N ATOM 276 CA LYS A 17 -32.341 1.773 -7.925 1.00 1.62 C ATOM 277 C LYS A 17 -31.282 1.728 -6.813 1.00 1.62 C ATOM 278 O LYS A 17 -31.560 1.304 -5.686 1.00 2.06 O ATOM 279 CB LYS A 17 -32.405 3.163 -8.581 1.00 1.84 C ATOM 280 CG LYS A 17 -33.575 3.262 -9.573 1.00 2.30 C ATOM 281 CD LYS A 17 -33.177 4.014 -10.847 1.00 2.75 C ATOM 282 CE LYS A 17 -32.464 3.097 -11.853 1.00 3.27 C ATOM 283 NZ LYS A 17 -33.367 2.035 -12.371 1.00 3.75 N ATOM 0 H LYS A 17 -33.996 0.486 -7.783 1.00 1.88 H new ATOM 0 HA LYS A 17 -32.048 1.061 -8.696 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -32.514 3.926 -7.810 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -31.468 3.366 -9.100 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -33.917 2.260 -9.834 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -34.413 3.771 -9.097 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -34.067 4.439 -11.311 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -32.523 4.847 -10.588 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -32.089 3.693 -12.685 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -31.599 2.637 -11.375 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -33.005 1.684 -13.281 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -33.408 1.251 -11.689 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -34.321 2.426 -12.506 1.00 3.75 H new ATOM 297 N ALA A 18 -30.065 2.141 -7.143 1.00 1.43 N ATOM 298 CA ALA A 18 -28.947 2.137 -6.192 1.00 1.61 C ATOM 299 C ALA A 18 -28.917 3.430 -5.365 1.00 1.86 C ATOM 300 O ALA A 18 -29.893 4.188 -5.335 1.00 2.10 O ATOM 301 CB ALA A 18 -27.634 1.964 -6.960 1.00 1.58 C ATOM 0 H ALA A 18 -29.820 2.487 -8.071 1.00 1.43 H new ATOM 0 HA ALA A 18 -29.078 1.306 -5.499 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -26.800 1.960 -6.258 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -27.653 1.021 -7.506 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.513 2.788 -7.663 1.00 1.58 H new ATOM 307 N SER A 19 -27.789 3.673 -4.699 1.00 2.24 N ATOM 308 CA SER A 19 -27.599 4.870 -3.865 1.00 2.71 C ATOM 309 C SER A 19 -27.431 6.116 -4.744 1.00 2.85 C ATOM 310 O SER A 19 -27.889 7.203 -4.392 1.00 3.33 O ATOM 311 CB SER A 19 -26.369 4.694 -2.945 1.00 3.28 C ATOM 312 OG SER A 19 -25.716 3.441 -3.169 1.00 3.62 O ATOM 0 H SER A 19 -26.981 3.051 -4.719 1.00 2.24 H new ATOM 0 HA SER A 19 -28.485 5.002 -3.243 1.00 2.71 H new ATOM 0 HB2 SER A 19 -25.665 5.508 -3.119 1.00 3.28 H new ATOM 0 HB3 SER A 19 -26.681 4.760 -1.903 1.00 3.28 H new ATOM 0 HG SER A 19 -24.942 3.364 -2.572 1.00 3.62 H new ATOM 318 N SER A 20 -26.771 5.943 -5.891 1.00 2.92 N ATOM 319 CA SER A 20 -26.534 7.036 -6.831 1.00 3.46 C ATOM 320 C SER A 20 -26.065 6.486 -8.185 1.00 3.36 C ATOM 321 O SER A 20 -25.772 5.296 -8.323 1.00 3.74 O ATOM 322 CB SER A 20 -25.486 8.011 -6.256 1.00 4.13 C ATOM 323 OG SER A 20 -24.457 7.315 -5.550 1.00 4.31 O ATOM 0 H SER A 20 -26.389 5.046 -6.191 1.00 2.92 H new ATOM 0 HA SER A 20 -27.469 7.575 -6.983 1.00 3.46 H new ATOM 0 HB2 SER A 20 -25.045 8.592 -7.066 1.00 4.13 H new ATOM 0 HB3 SER A 20 -25.974 8.718 -5.586 1.00 4.13 H new ATOM 0 HG SER A 20 -23.684 7.189 -6.139 1.00 4.31 H new ATOM 329 N ARG A 21 -25.981 7.372 -9.170 1.00 3.28 N ATOM 330 CA ARG A 21 -25.529 7.024 -10.519 1.00 3.37 C ATOM 331 C ARG A 21 -24.011 7.234 -10.601 1.00 2.30 C ATOM 332 O ARG A 21 -23.514 8.012 -11.424 1.00 2.78 O ATOM 333 CB ARG A 21 -26.267 7.907 -11.542 1.00 4.44 C ATOM 334 CG ARG A 21 -26.187 7.337 -12.957 1.00 5.18 C ATOM 335 CD ARG A 21 -26.438 8.421 -14.004 1.00 5.89 C ATOM 336 NE ARG A 21 -27.808 8.930 -13.897 1.00 6.25 N ATOM 337 CZ ARG A 21 -28.581 9.086 -14.965 1.00 6.92 C ATOM 338 NH1 ARG A 21 -28.479 10.189 -15.695 1.00 7.30 N ATOM 339 NH2 ARG A 21 -29.437 8.137 -15.308 1.00 7.43 N ATOM 0 H ARG A 21 -26.224 8.356 -9.059 1.00 3.28 H new ATOM 0 HA ARG A 21 -25.751 5.980 -10.743 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -27.312 8.004 -11.249 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -25.839 8.909 -11.531 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -25.205 6.893 -13.118 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -26.921 6.539 -13.073 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -25.729 9.237 -13.868 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -26.271 8.016 -15.002 1.00 5.89 H new ATOM 0 HE ARG A 21 -28.178 9.171 -12.977 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -27.809 10.913 -15.435 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -29.071 10.313 -16.516 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -29.503 7.285 -14.752 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -30.030 8.258 -16.129 1.00 7.43 H new ATOM 353 N SER A 22 -23.287 6.559 -9.709 1.00 1.32 N ATOM 354 CA SER A 22 -21.829 6.676 -9.622 1.00 0.74 C ATOM 355 C SER A 22 -21.111 5.775 -10.638 1.00 0.68 C ATOM 356 O SER A 22 -21.622 4.728 -11.038 1.00 1.69 O ATOM 357 CB SER A 22 -21.374 6.315 -8.204 1.00 1.62 C ATOM 358 OG SER A 22 -22.203 6.936 -7.223 1.00 1.86 O ATOM 0 H SER A 22 -23.692 5.917 -9.027 1.00 1.32 H new ATOM 0 HA SER A 22 -21.565 7.707 -9.856 1.00 0.74 H new ATOM 0 HB2 SER A 22 -21.401 5.233 -8.075 1.00 1.62 H new ATOM 0 HB3 SER A 22 -20.340 6.627 -8.060 1.00 1.62 H new ATOM 0 HG SER A 22 -21.873 6.714 -6.327 1.00 1.86 H new ATOM 364 N TRP A 23 -19.903 6.197 -11.013 1.00 0.69 N ATOM 365 CA TRP A 23 -19.036 5.475 -11.952 1.00 0.41 C ATOM 366 C TRP A 23 -17.647 5.376 -11.311 1.00 0.40 C ATOM 367 O TRP A 23 -16.851 6.315 -11.392 1.00 0.55 O ATOM 368 CB TRP A 23 -18.966 6.232 -13.300 1.00 0.43 C ATOM 369 CG TRP A 23 -19.947 5.723 -14.325 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.095 6.339 -14.756 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.860 4.484 -15.054 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.701 5.539 -15.689 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.981 4.406 -15.894 1.00 0.36 C ATOM 374 CE3 TRP A 23 -18.947 3.434 -15.068 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.198 3.319 -16.731 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.156 2.348 -15.903 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.272 2.288 -16.726 1.00 0.31 C ATOM 0 H TRP A 23 -19.490 7.064 -10.669 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.428 4.478 -12.155 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.153 7.291 -13.123 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.956 6.150 -13.702 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.461 7.297 -14.416 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.575 5.764 -16.165 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.077 3.465 -14.429 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.067 3.278 -17.370 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.442 1.538 -15.913 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.420 1.432 -17.367 1.00 0.31 H new ATOM 388 N HIS A 24 -17.375 4.250 -10.641 1.00 0.37 N ATOM 389 CA HIS A 24 -16.101 4.031 -9.940 1.00 0.45 C ATOM 390 C HIS A 24 -15.228 3.007 -10.679 1.00 0.36 C ATOM 391 O HIS A 24 -15.729 2.018 -11.220 1.00 0.34 O ATOM 392 CB HIS A 24 -16.383 3.546 -8.502 1.00 0.61 C ATOM 393 CG HIS A 24 -15.162 3.534 -7.624 1.00 1.18 C ATOM 394 ND1 HIS A 24 -14.825 4.552 -6.766 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.173 2.621 -7.481 1.00 1.66 C ATOM 396 CE1 HIS A 24 -13.705 4.288 -6.138 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.274 3.108 -6.554 1.00 2.74 N ATOM 0 H HIS A 24 -18.026 3.468 -10.569 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.556 4.975 -9.910 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.139 4.189 -8.051 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.803 2.541 -8.542 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -15.374 5.402 -6.635 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.100 1.677 -8.001 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -13.220 4.921 -5.410 1.00 2.98 H new ATOM 405 N ASN A 25 -13.915 3.246 -10.667 1.00 0.37 N ATOM 406 CA ASN A 25 -12.935 2.354 -11.297 1.00 0.35 C ATOM 407 C ASN A 25 -12.482 1.314 -10.269 1.00 0.34 C ATOM 408 O ASN A 25 -11.714 1.623 -9.350 1.00 0.55 O ATOM 409 CB ASN A 25 -11.739 3.169 -11.819 1.00 0.44 C ATOM 410 CG ASN A 25 -10.919 2.353 -12.821 1.00 0.99 C ATOM 411 OD1 ASN A 25 -9.861 1.825 -12.486 1.00 1.71 O ATOM 412 ND2 ASN A 25 -11.405 2.250 -14.049 1.00 1.49 N ATOM 0 H ASN A 25 -13.499 4.063 -10.220 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.387 1.843 -12.147 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.096 4.083 -12.294 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.106 3.470 -10.984 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -10.897 1.718 -14.755 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -12.287 2.703 -14.288 1.00 1.49 H new ATOM 419 N VAL A 26 -12.986 0.092 -10.419 1.00 0.22 N ATOM 420 CA VAL A 26 -12.680 -1.015 -9.506 1.00 0.21 C ATOM 421 C VAL A 26 -11.924 -2.130 -10.241 1.00 0.18 C ATOM 422 O VAL A 26 -11.918 -2.185 -11.472 1.00 0.23 O ATOM 423 CB VAL A 26 -14.002 -1.538 -8.900 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.749 -2.459 -9.872 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.763 -2.245 -7.565 1.00 0.31 C ATOM 0 H VAL A 26 -13.619 -0.163 -11.177 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.033 -0.663 -8.703 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.632 -0.668 -8.716 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.673 -2.805 -9.408 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.984 -1.911 -10.784 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.122 -3.317 -10.115 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.713 -2.600 -7.166 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.094 -3.092 -7.716 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.312 -1.547 -6.859 1.00 0.31 H new ATOM 435 N TYR A 27 -11.299 -3.024 -9.479 1.00 0.16 N ATOM 436 CA TYR A 27 -10.551 -4.155 -10.041 1.00 0.16 C ATOM 437 C TYR A 27 -11.448 -5.389 -10.056 1.00 0.19 C ATOM 438 O TYR A 27 -12.108 -5.686 -9.060 1.00 0.34 O ATOM 439 CB TYR A 27 -9.298 -4.421 -9.201 1.00 0.17 C ATOM 440 CG TYR A 27 -8.236 -5.203 -9.944 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.517 -4.604 -10.963 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.987 -6.525 -9.611 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.550 -5.322 -11.648 1.00 0.33 C ATOM 444 CE2 TYR A 27 -7.016 -7.241 -10.294 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.290 -6.633 -11.292 1.00 0.29 C ATOM 446 OH TYR A 27 -5.345 -7.345 -11.998 1.00 0.37 O ATOM 0 H TYR A 27 -11.294 -2.989 -8.460 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.242 -3.921 -11.060 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.878 -3.469 -8.876 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.581 -4.969 -8.302 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.710 -3.574 -11.225 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.549 -6.998 -8.819 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -6.002 -4.860 -12.456 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.830 -8.275 -10.043 1.00 0.30 H new ATOM 0 HH TYR A 27 -4.966 -8.044 -11.425 1.00 0.37 H new ATOM 456 N CYS A 28 -11.474 -6.096 -11.181 1.00 0.16 N ATOM 457 CA CYS A 28 -12.301 -7.296 -11.332 1.00 0.19 C ATOM 458 C CYS A 28 -11.423 -8.511 -11.623 1.00 0.19 C ATOM 459 O CYS A 28 -10.562 -8.463 -12.502 1.00 0.23 O ATOM 460 CB CYS A 28 -13.306 -7.084 -12.469 1.00 0.23 C ATOM 461 SG CYS A 28 -14.396 -5.680 -12.165 1.00 0.34 S ATOM 0 H CYS A 28 -10.928 -5.859 -12.010 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.842 -7.477 -10.403 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.767 -6.927 -13.403 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.905 -7.986 -12.594 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.172 -5.943 -11.156 1.00 0.34 H new ATOM 467 N VAL A 29 -11.651 -9.591 -10.877 1.00 0.21 N ATOM 468 CA VAL A 29 -10.899 -10.843 -11.031 1.00 0.24 C ATOM 469 C VAL A 29 -11.878 -11.998 -11.247 1.00 0.26 C ATOM 470 O VAL A 29 -12.932 -12.038 -10.613 1.00 0.38 O ATOM 471 CB VAL A 29 -10.050 -11.092 -9.766 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.421 -12.495 -9.762 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.964 -10.024 -9.627 1.00 0.33 C ATOM 0 H VAL A 29 -12.362 -9.626 -10.147 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.236 -10.773 -11.893 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.721 -11.030 -8.910 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.832 -12.627 -8.854 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.209 -13.247 -9.796 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.775 -12.607 -10.633 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.377 -10.217 -8.729 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.312 -10.052 -10.500 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.428 -9.041 -9.552 1.00 0.33 H new ATOM 483 N ILE A 30 -11.521 -12.941 -12.126 1.00 0.28 N ATOM 484 CA ILE A 30 -12.360 -14.117 -12.415 1.00 0.32 C ATOM 485 C ILE A 30 -11.632 -15.370 -11.924 1.00 0.35 C ATOM 486 O ILE A 30 -10.521 -15.662 -12.375 1.00 0.44 O ATOM 487 CB ILE A 30 -12.640 -14.211 -13.922 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.302 -12.922 -14.432 1.00 0.47 C ATOM 489 CG2 ILE A 30 -13.525 -15.420 -14.235 1.00 0.50 C ATOM 490 CD1 ILE A 30 -13.684 -13.026 -15.910 1.00 0.57 C ATOM 0 H ILE A 30 -10.650 -12.915 -12.655 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.317 -14.026 -11.900 1.00 0.32 H new ATOM 0 HB ILE A 30 -11.687 -14.338 -14.435 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.193 -12.712 -13.840 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.621 -12.083 -14.291 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -13.711 -15.467 -15.308 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.022 -16.332 -13.913 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -14.473 -15.323 -13.707 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.149 -12.094 -16.232 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -12.789 -13.210 -16.505 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.386 -13.848 -16.047 1.00 0.57 H new ATOM 502 N ASN A 31 -12.241 -16.093 -10.977 1.00 0.46 N ATOM 503 CA ASN A 31 -11.619 -17.293 -10.404 1.00 0.58 C ATOM 504 C ASN A 31 -12.648 -18.401 -10.133 1.00 0.71 C ATOM 505 O ASN A 31 -13.293 -18.430 -9.082 1.00 1.20 O ATOM 506 CB ASN A 31 -10.892 -16.908 -9.104 1.00 0.73 C ATOM 507 CG ASN A 31 -10.119 -18.095 -8.519 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.617 -18.798 -7.639 1.00 1.27 O ATOM 509 ND2 ASN A 31 -8.910 -18.328 -9.009 1.00 1.47 N ATOM 0 H ASN A 31 -13.159 -15.870 -10.593 1.00 0.46 H new ATOM 0 HA ASN A 31 -10.907 -17.690 -11.128 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -10.204 -16.086 -9.301 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -11.617 -16.549 -8.373 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -8.359 -19.111 -8.657 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -8.530 -17.724 -9.738 1.00 1.47 H new ATOM 516 N ASN A 32 -12.744 -19.337 -11.082 1.00 0.85 N ATOM 517 CA ASN A 32 -13.621 -20.524 -10.993 1.00 1.00 C ATOM 518 C ASN A 32 -15.098 -20.192 -10.728 1.00 1.00 C ATOM 519 O ASN A 32 -15.572 -20.328 -9.597 1.00 1.97 O ATOM 520 CB ASN A 32 -13.107 -21.477 -9.893 1.00 1.24 C ATOM 521 CG ASN A 32 -11.783 -22.130 -10.299 1.00 1.73 C ATOM 522 OD1 ASN A 32 -11.772 -23.164 -10.965 1.00 2.06 O ATOM 523 ND2 ASN A 32 -10.667 -21.542 -9.885 1.00 2.52 N ATOM 0 H ASN A 32 -12.209 -19.297 -11.950 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.580 -21.001 -11.972 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.973 -20.924 -8.963 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.852 -22.249 -9.700 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -9.760 -21.947 -10.118 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -10.716 -20.685 -9.334 1.00 2.52 H new ATOM 530 N GLN A 33 -15.822 -19.800 -11.781 1.00 0.75 N ATOM 531 CA GLN A 33 -17.268 -19.489 -11.715 1.00 0.67 C ATOM 532 C GLN A 33 -17.601 -18.264 -10.844 1.00 0.56 C ATOM 533 O GLN A 33 -18.744 -17.762 -10.901 1.00 0.71 O ATOM 534 CB GLN A 33 -18.060 -20.713 -11.217 1.00 0.83 C ATOM 535 CG GLN A 33 -17.836 -21.946 -12.117 1.00 1.46 C ATOM 536 CD GLN A 33 -17.210 -23.115 -11.348 1.00 1.85 C ATOM 537 OE1 GLN A 33 -17.186 -23.135 -10.115 1.00 2.11 O ATOM 538 NE2 GLN A 33 -16.717 -24.104 -12.078 1.00 2.67 N ATOM 0 H GLN A 33 -15.425 -19.686 -12.714 1.00 0.75 H new ATOM 0 HA GLN A 33 -17.565 -19.237 -12.733 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.760 -20.949 -10.196 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.123 -20.472 -11.189 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.789 -22.261 -12.543 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.189 -21.673 -12.951 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -16.754 -24.054 -13.096 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -16.300 -24.916 -11.622 1.00 2.67 H new ATOM 547 N GLU A 34 -16.630 -17.794 -10.037 1.00 0.53 N ATOM 548 CA GLU A 34 -16.835 -16.646 -9.155 1.00 0.49 C ATOM 549 C GLU A 34 -15.916 -15.497 -9.555 1.00 0.45 C ATOM 550 O GLU A 34 -14.824 -15.710 -10.088 1.00 0.64 O ATOM 551 CB GLU A 34 -16.555 -17.049 -7.705 1.00 0.61 C ATOM 552 CG GLU A 34 -17.554 -18.101 -7.208 1.00 1.25 C ATOM 553 CD GLU A 34 -17.337 -18.383 -5.726 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.190 -18.250 -5.252 1.00 1.89 O ATOM 555 OE2 GLU A 34 -18.315 -18.729 -5.033 1.00 1.79 O ATOM 0 H GLU A 34 -15.695 -18.199 -9.983 1.00 0.53 H new ATOM 0 HA GLU A 34 -17.870 -16.316 -9.246 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.542 -17.443 -7.625 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.606 -16.168 -7.066 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.573 -17.750 -7.372 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.437 -19.021 -7.780 1.00 1.25 H new ATOM 562 N MET A 35 -16.357 -14.281 -9.261 1.00 0.36 N ATOM 563 CA MET A 35 -15.590 -13.078 -9.544 1.00 0.35 C ATOM 564 C MET A 35 -15.447 -12.280 -8.253 1.00 0.32 C ATOM 565 O MET A 35 -16.381 -12.219 -7.447 1.00 0.42 O ATOM 566 CB MET A 35 -16.267 -12.238 -10.643 1.00 0.41 C ATOM 567 CG MET A 35 -17.589 -11.618 -10.187 1.00 0.43 C ATOM 568 SD MET A 35 -18.459 -10.770 -11.522 1.00 0.60 S ATOM 569 CE MET A 35 -17.287 -9.471 -11.964 1.00 1.25 C ATOM 0 H MET A 35 -17.259 -14.102 -8.819 1.00 0.36 H new ATOM 0 HA MET A 35 -14.602 -13.352 -9.915 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.589 -11.445 -10.957 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.448 -12.867 -11.515 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.231 -12.399 -9.780 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.395 -10.912 -9.380 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.832 -8.578 -12.270 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.661 -9.237 -11.103 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.659 -9.812 -12.787 1.00 1.25 H new ATOM 579 N GLY A 36 -14.280 -11.688 -8.052 1.00 0.27 N ATOM 580 CA GLY A 36 -14.007 -10.907 -6.851 1.00 0.29 C ATOM 581 C GLY A 36 -13.653 -9.471 -7.210 1.00 0.25 C ATOM 582 O GLY A 36 -12.768 -9.232 -8.039 1.00 0.28 O ATOM 0 H GLY A 36 -13.501 -11.733 -8.709 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.879 -10.919 -6.198 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.186 -11.361 -6.295 1.00 0.29 H new ATOM 586 N PHE A 37 -14.332 -8.525 -6.566 1.00 0.24 N ATOM 587 CA PHE A 37 -14.084 -7.099 -6.777 1.00 0.25 C ATOM 588 C PHE A 37 -13.087 -6.620 -5.728 1.00 0.25 C ATOM 589 O PHE A 37 -13.289 -6.829 -4.528 1.00 0.40 O ATOM 590 CB PHE A 37 -15.384 -6.299 -6.667 1.00 0.30 C ATOM 591 CG PHE A 37 -16.383 -6.636 -7.754 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.221 -6.125 -9.036 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.464 -7.455 -7.472 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.136 -6.437 -10.029 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.378 -7.764 -8.465 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.211 -7.250 -9.748 1.00 0.33 C ATOM 0 H PHE A 37 -15.066 -8.723 -5.886 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.680 -6.946 -7.778 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.838 -6.487 -5.694 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.153 -5.235 -6.711 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.381 -5.484 -9.259 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.594 -7.853 -6.476 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.006 -6.042 -11.025 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.220 -8.403 -8.244 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.925 -7.489 -10.523 1.00 0.33 H new ATOM 606 N TYR A 38 -12.009 -5.999 -6.183 1.00 0.20 N ATOM 607 CA TYR A 38 -10.954 -5.509 -5.292 1.00 0.21 C ATOM 608 C TYR A 38 -10.531 -4.091 -5.670 1.00 0.21 C ATOM 609 O TYR A 38 -11.030 -3.513 -6.641 1.00 0.23 O ATOM 610 CB TYR A 38 -9.741 -6.448 -5.365 1.00 0.23 C ATOM 611 CG TYR A 38 -10.066 -7.878 -4.989 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.133 -8.244 -3.658 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.290 -8.827 -5.974 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.418 -9.552 -3.308 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.579 -10.135 -5.625 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.640 -10.494 -4.295 1.00 0.44 C ATOM 617 OH TYR A 38 -10.916 -11.800 -3.955 1.00 0.55 O ATOM 0 H TYR A 38 -11.836 -5.819 -7.172 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.345 -5.489 -4.275 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.336 -6.429 -6.377 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.961 -6.074 -4.702 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.962 -7.506 -2.888 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.239 -8.546 -7.015 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.467 -9.836 -2.267 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.756 -10.873 -6.393 1.00 0.35 H new ATOM 0 HH TYR A 38 -11.047 -12.329 -4.769 1.00 0.55 H new ATOM 627 N LYS A 39 -9.590 -3.543 -4.900 1.00 0.25 N ATOM 628 CA LYS A 39 -9.064 -2.196 -5.143 1.00 0.29 C ATOM 629 C LYS A 39 -8.141 -2.200 -6.365 1.00 0.28 C ATOM 630 O LYS A 39 -8.182 -1.288 -7.190 1.00 0.33 O ATOM 631 CB LYS A 39 -8.297 -1.701 -3.907 1.00 0.36 C ATOM 632 CG LYS A 39 -7.874 -0.233 -4.044 1.00 0.70 C ATOM 633 CD LYS A 39 -7.704 0.440 -2.677 1.00 1.15 C ATOM 634 CE LYS A 39 -6.471 -0.090 -1.932 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.583 0.142 -0.466 1.00 2.51 N ATOM 0 H LYS A 39 -9.173 -4.014 -4.097 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.899 -1.523 -5.336 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.922 -1.817 -3.022 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.413 -2.321 -3.757 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -6.936 -0.175 -4.597 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.621 0.308 -4.625 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.613 1.518 -2.811 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -8.595 0.268 -2.074 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.357 -1.157 -2.126 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -5.575 0.401 -2.312 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.735 -0.227 0.010 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -6.667 1.162 -0.281 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -7.425 -0.347 -0.101 1.00 2.51 H new ATOM 649 N ASP A 40 -7.311 -3.239 -6.466 1.00 0.28 N ATOM 650 CA ASP A 40 -6.359 -3.402 -7.572 1.00 0.32 C ATOM 651 C ASP A 40 -5.831 -4.843 -7.601 1.00 0.33 C ATOM 652 O ASP A 40 -6.403 -5.743 -6.977 1.00 0.32 O ATOM 653 CB ASP A 40 -5.189 -2.397 -7.442 1.00 0.38 C ATOM 654 CG ASP A 40 -4.181 -2.819 -6.366 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.620 -3.198 -5.264 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.958 -2.744 -6.613 1.00 0.94 O ATOM 0 H ASP A 40 -7.278 -3.995 -5.782 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.876 -3.198 -8.509 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.679 -2.310 -8.401 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.585 -1.410 -7.200 1.00 0.38 H new ATOM 661 N ALA A 41 -4.720 -5.040 -8.313 1.00 0.40 N ATOM 662 CA ALA A 41 -4.070 -6.353 -8.429 1.00 0.45 C ATOM 663 C ALA A 41 -3.508 -6.813 -7.073 1.00 0.45 C ATOM 664 O ALA A 41 -3.598 -7.994 -6.731 1.00 0.47 O ATOM 665 CB ALA A 41 -2.948 -6.286 -9.473 1.00 0.55 C ATOM 0 H ALA A 41 -4.244 -4.298 -8.826 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.816 -7.081 -8.748 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.469 -7.262 -9.555 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.366 -6.004 -10.439 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.210 -5.544 -9.167 1.00 0.55 H new ATOM 671 N LYS A 42 -2.951 -5.874 -6.293 1.00 0.46 N ATOM 672 CA LYS A 42 -2.392 -6.185 -4.966 1.00 0.48 C ATOM 673 C LYS A 42 -3.499 -6.652 -4.013 1.00 0.43 C ATOM 674 O LYS A 42 -3.378 -7.695 -3.367 1.00 0.47 O ATOM 675 CB LYS A 42 -1.693 -4.951 -4.378 1.00 0.54 C ATOM 676 CG LYS A 42 -0.533 -4.478 -5.251 1.00 0.77 C ATOM 677 CD LYS A 42 0.331 -3.435 -4.524 1.00 1.12 C ATOM 678 CE LYS A 42 -0.498 -2.263 -3.978 1.00 1.96 C ATOM 679 NZ LYS A 42 -1.242 -1.560 -5.066 1.00 2.76 N ATOM 0 H LYS A 42 -2.875 -4.892 -6.558 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.663 -6.987 -5.083 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.416 -4.143 -4.268 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.323 -5.186 -3.380 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.084 -5.332 -5.531 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.923 -4.049 -6.174 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.860 -3.916 -3.701 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.087 -3.053 -5.210 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -1.204 -2.632 -3.234 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.160 -1.557 -3.471 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -1.680 -0.697 -4.685 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -0.583 -1.306 -5.829 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.981 -2.187 -5.442 1.00 2.76 H new ATOM 693 N SER A 43 -4.579 -5.871 -3.946 1.00 0.38 N ATOM 694 CA SER A 43 -5.732 -6.175 -3.091 1.00 0.38 C ATOM 695 C SER A 43 -6.376 -7.523 -3.481 1.00 0.39 C ATOM 696 O SER A 43 -6.899 -8.238 -2.621 1.00 0.45 O ATOM 697 CB SER A 43 -6.749 -5.026 -3.206 1.00 0.37 C ATOM 698 OG SER A 43 -7.932 -5.281 -2.452 1.00 1.04 O ATOM 0 H SER A 43 -4.681 -5.009 -4.482 1.00 0.38 H new ATOM 0 HA SER A 43 -5.400 -6.267 -2.057 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.290 -4.100 -2.859 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.012 -4.878 -4.253 1.00 0.37 H new ATOM 0 HG SER A 43 -8.400 -4.437 -2.282 1.00 1.04 H new ATOM 704 N ALA A 44 -6.330 -7.856 -4.773 1.00 0.37 N ATOM 705 CA ALA A 44 -6.901 -9.107 -5.290 1.00 0.43 C ATOM 706 C ALA A 44 -5.996 -10.306 -4.985 1.00 0.51 C ATOM 707 O ALA A 44 -6.480 -11.369 -4.597 1.00 0.59 O ATOM 708 CB ALA A 44 -7.115 -8.991 -6.799 1.00 0.43 C ATOM 0 H ALA A 44 -5.899 -7.271 -5.489 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.857 -9.272 -4.793 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.539 -9.921 -7.179 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.799 -8.169 -7.007 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -6.160 -8.801 -7.288 1.00 0.43 H new ATOM 714 N ALA A 45 -4.686 -10.128 -5.172 1.00 0.54 N ATOM 715 CA ALA A 45 -3.702 -11.195 -4.932 1.00 0.64 C ATOM 716 C ALA A 45 -3.637 -11.579 -3.450 1.00 0.68 C ATOM 717 O ALA A 45 -3.646 -12.764 -3.107 1.00 0.76 O ATOM 718 CB ALA A 45 -2.320 -10.749 -5.416 1.00 0.69 C ATOM 0 H ALA A 45 -4.277 -9.250 -5.491 1.00 0.54 H new ATOM 0 HA ALA A 45 -4.019 -12.075 -5.492 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.597 -11.544 -5.235 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.361 -10.532 -6.483 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -2.017 -9.853 -4.875 1.00 0.69 H new ATOM 724 N SER A 46 -3.564 -10.576 -2.577 1.00 0.65 N ATOM 725 CA SER A 46 -3.490 -10.803 -1.128 1.00 0.73 C ATOM 726 C SER A 46 -4.836 -11.305 -0.572 1.00 0.74 C ATOM 727 O SER A 46 -4.867 -12.069 0.393 1.00 0.84 O ATOM 728 CB SER A 46 -3.075 -9.505 -0.430 1.00 0.75 C ATOM 729 OG SER A 46 -1.869 -8.997 -0.998 1.00 1.21 O ATOM 0 H SER A 46 -3.554 -9.592 -2.846 1.00 0.65 H new ATOM 0 HA SER A 46 -2.745 -11.575 -0.934 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.869 -8.764 -0.525 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.934 -9.687 0.635 1.00 0.75 H new ATOM 0 HG SER A 46 -2.076 -8.507 -1.821 1.00 1.21 H new ATOM 735 N GLY A 47 -5.940 -10.874 -1.189 1.00 0.70 N ATOM 736 CA GLY A 47 -7.283 -11.278 -0.762 1.00 0.74 C ATOM 737 C GLY A 47 -7.783 -10.380 0.369 1.00 0.75 C ATOM 738 O GLY A 47 -7.898 -10.818 1.515 1.00 0.88 O ATOM 0 H GLY A 47 -5.930 -10.242 -1.990 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.970 -11.224 -1.606 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -7.267 -12.316 -0.429 1.00 0.74 H new ATOM 742 N ILE A 48 -8.067 -9.119 0.039 1.00 0.67 N ATOM 743 CA ILE A 48 -8.553 -8.137 1.014 1.00 0.72 C ATOM 744 C ILE A 48 -9.949 -7.661 0.603 1.00 0.75 C ATOM 745 O ILE A 48 -10.170 -7.308 -0.554 1.00 0.75 O ATOM 746 CB ILE A 48 -7.578 -6.946 1.073 1.00 0.71 C ATOM 747 CG1 ILE A 48 -6.177 -7.417 1.491 1.00 0.78 C ATOM 748 CG2 ILE A 48 -8.078 -5.864 2.034 1.00 0.82 C ATOM 749 CD1 ILE A 48 -5.150 -6.292 1.371 1.00 0.97 C ATOM 0 H ILE A 48 -7.968 -8.749 -0.906 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.611 -8.595 2.002 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.523 -6.513 0.074 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -6.205 -7.778 2.519 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.873 -8.257 0.867 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -7.368 -5.038 2.053 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -9.049 -5.500 1.699 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -8.174 -6.283 3.036 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -4.170 -6.660 1.675 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -5.105 -5.949 0.337 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.442 -5.463 2.015 1.00 0.97 H new ATOM 761 N PRO A 49 -10.918 -7.640 1.545 1.00 0.84 N ATOM 762 CA PRO A 49 -12.294 -7.190 1.256 1.00 0.93 C ATOM 763 C PRO A 49 -12.348 -5.682 0.992 1.00 0.93 C ATOM 764 O PRO A 49 -12.095 -4.875 1.890 1.00 1.08 O ATOM 765 CB PRO A 49 -13.080 -7.583 2.510 1.00 1.07 C ATOM 766 CG PRO A 49 -12.068 -7.647 3.607 1.00 1.06 C ATOM 767 CD PRO A 49 -10.755 -8.026 2.961 1.00 0.92 C ATOM 0 HA PRO A 49 -12.705 -7.643 0.354 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.856 -6.851 2.733 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -13.577 -8.544 2.377 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.987 -6.686 4.116 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -12.357 -8.382 4.358 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.919 -7.501 3.422 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -10.556 -9.093 3.062 1.00 0.92 H new ATOM 775 N TYR A 50 -12.644 -5.313 -0.254 1.00 0.87 N ATOM 776 CA TYR A 50 -12.697 -3.907 -0.668 1.00 0.91 C ATOM 777 C TYR A 50 -13.870 -3.167 -0.016 1.00 1.12 C ATOM 778 O TYR A 50 -13.657 -2.250 0.774 1.00 1.91 O ATOM 779 CB TYR A 50 -12.782 -3.819 -2.197 1.00 0.92 C ATOM 780 CG TYR A 50 -12.694 -2.409 -2.746 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.687 -1.560 -2.309 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.618 -1.955 -3.675 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.606 -0.268 -2.797 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.531 -0.663 -4.162 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.538 0.154 -3.773 1.00 1.17 C ATOM 786 OH TYR A 50 -12.452 1.456 -4.204 1.00 1.34 O ATOM 0 H TYR A 50 -12.853 -5.974 -1.002 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.782 -3.419 -0.331 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.978 -4.415 -2.629 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.721 -4.266 -2.523 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.965 -1.909 -1.586 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.405 -2.610 -4.018 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.843 0.407 -2.438 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -14.271 -0.307 -4.864 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.897 1.543 -5.073 1.00 1.34 H new ATOM 796 N HIS A 51 -15.102 -3.561 -0.345 1.00 1.28 N ATOM 797 CA HIS A 51 -16.298 -2.916 0.218 1.00 1.53 C ATOM 798 C HIS A 51 -17.412 -3.943 0.483 1.00 1.61 C ATOM 799 O HIS A 51 -17.145 -5.033 0.994 1.00 2.07 O ATOM 800 CB HIS A 51 -16.774 -1.764 -0.698 1.00 2.01 C ATOM 801 CG HIS A 51 -17.264 -2.190 -2.057 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.334 -1.605 -2.681 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.841 -3.150 -2.916 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.560 -2.157 -3.846 1.00 3.87 C ATOM 805 NE2 HIS A 51 -17.663 -3.112 -4.027 1.00 3.74 N ATOM 0 H HIS A 51 -15.301 -4.321 -0.996 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.035 -2.482 1.183 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -17.575 -1.226 -0.192 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -15.951 -1.061 -0.829 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -16.011 -3.823 -2.760 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -19.342 -1.881 -4.538 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -17.590 -3.716 -4.845 1.00 3.74 H new ATOM 813 N SER A 52 -18.656 -3.579 0.157 1.00 1.60 N ATOM 814 CA SER A 52 -19.825 -4.442 0.375 1.00 1.96 C ATOM 815 C SER A 52 -19.812 -5.664 -0.552 1.00 1.85 C ATOM 816 O SER A 52 -19.452 -6.768 -0.138 1.00 2.45 O ATOM 817 CB SER A 52 -21.113 -3.625 0.159 1.00 2.44 C ATOM 818 OG SER A 52 -20.995 -2.764 -0.973 1.00 2.65 O ATOM 0 H SER A 52 -18.883 -2.679 -0.265 1.00 1.60 H new ATOM 0 HA SER A 52 -19.788 -4.811 1.400 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.956 -4.301 0.018 1.00 2.44 H new ATOM 0 HB3 SER A 52 -21.324 -3.033 1.049 1.00 2.44 H new ATOM 0 HG SER A 52 -21.827 -2.259 -1.088 1.00 2.65 H new ATOM 824 N GLU A 53 -20.231 -5.455 -1.799 1.00 1.45 N ATOM 825 CA GLU A 53 -20.301 -6.528 -2.798 1.00 1.37 C ATOM 826 C GLU A 53 -18.919 -6.836 -3.374 1.00 1.08 C ATOM 827 O GLU A 53 -18.578 -6.387 -4.473 1.00 1.24 O ATOM 828 CB GLU A 53 -21.270 -6.134 -3.925 1.00 1.73 C ATOM 829 CG GLU A 53 -22.612 -5.632 -3.381 1.00 2.39 C ATOM 830 CD GLU A 53 -23.285 -6.696 -2.521 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.386 -7.856 -2.970 1.00 3.46 O ATOM 832 OE2 GLU A 53 -23.706 -6.379 -1.394 1.00 3.23 O ATOM 0 H GLU A 53 -20.531 -4.544 -2.147 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.669 -7.428 -2.306 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.815 -5.357 -4.539 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.441 -6.994 -4.573 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.455 -4.729 -2.791 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -23.266 -5.362 -4.210 1.00 2.39 H new ATOM 839 N VAL A 54 -18.135 -7.613 -2.625 1.00 0.84 N ATOM 840 CA VAL A 54 -16.788 -8.006 -3.044 1.00 0.66 C ATOM 841 C VAL A 54 -16.830 -9.367 -3.761 1.00 0.55 C ATOM 842 O VAL A 54 -16.348 -9.473 -4.888 1.00 0.49 O ATOM 843 CB VAL A 54 -15.827 -8.005 -1.831 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.611 -8.910 -2.053 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.365 -6.582 -1.530 1.00 1.34 C ATOM 0 H VAL A 54 -18.413 -7.986 -1.717 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.402 -7.278 -3.758 1.00 0.66 H new ATOM 0 HB VAL A 54 -16.380 -8.402 -0.980 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.967 -8.876 -1.175 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.945 -9.934 -2.218 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.055 -8.565 -2.925 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.689 -6.592 -0.675 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.845 -6.177 -2.398 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.230 -5.959 -1.302 1.00 1.34 H new ATOM 855 N PRO A 55 -17.410 -10.430 -3.143 1.00 0.62 N ATOM 856 CA PRO A 55 -17.496 -11.759 -3.762 1.00 0.59 C ATOM 857 C PRO A 55 -18.834 -11.961 -4.490 1.00 0.58 C ATOM 858 O PRO A 55 -19.901 -11.835 -3.883 1.00 0.83 O ATOM 859 CB PRO A 55 -17.382 -12.698 -2.561 1.00 0.76 C ATOM 860 CG PRO A 55 -17.864 -11.909 -1.374 1.00 0.87 C ATOM 861 CD PRO A 55 -18.037 -10.465 -1.810 1.00 0.83 C ATOM 0 HA PRO A 55 -16.732 -11.924 -4.522 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.986 -13.593 -2.706 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.353 -13.028 -2.419 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.808 -12.312 -1.006 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -17.148 -11.977 -0.555 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -19.089 -10.182 -1.854 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -17.550 -9.776 -1.119 1.00 0.83 H new ATOM 869 N VAL A 56 -18.776 -12.277 -5.784 1.00 0.41 N ATOM 870 CA VAL A 56 -19.981 -12.502 -6.593 1.00 0.43 C ATOM 871 C VAL A 56 -19.789 -13.752 -7.460 1.00 0.42 C ATOM 872 O VAL A 56 -18.687 -14.023 -7.936 1.00 0.43 O ATOM 873 CB VAL A 56 -20.269 -11.259 -7.461 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.454 -11.491 -8.404 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.535 -10.038 -6.573 1.00 0.63 C ATOM 0 H VAL A 56 -17.903 -12.384 -6.300 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.839 -12.664 -5.941 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.386 -11.073 -8.072 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.627 -10.594 -8.999 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.234 -12.329 -9.066 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.346 -11.716 -7.819 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.736 -9.169 -7.200 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.397 -10.233 -5.935 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.661 -9.842 -5.952 1.00 0.63 H new ATOM 885 N SER A 57 -20.864 -14.514 -7.648 1.00 0.47 N ATOM 886 CA SER A 57 -20.843 -15.734 -8.437 1.00 0.48 C ATOM 887 C SER A 57 -21.427 -15.472 -9.828 1.00 0.46 C ATOM 888 O SER A 57 -22.513 -14.901 -9.954 1.00 0.59 O ATOM 889 CB SER A 57 -21.669 -16.791 -7.726 1.00 0.61 C ATOM 890 OG SER A 57 -21.042 -17.216 -6.520 1.00 0.91 O ATOM 0 H SER A 57 -21.779 -14.297 -7.252 1.00 0.47 H new ATOM 0 HA SER A 57 -19.815 -16.078 -8.550 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.658 -16.392 -7.502 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.812 -17.647 -8.385 1.00 0.61 H new ATOM 0 HG SER A 57 -21.598 -17.895 -6.084 1.00 0.91 H new ATOM 896 N LEU A 58 -20.718 -15.909 -10.865 1.00 0.44 N ATOM 897 CA LEU A 58 -21.170 -15.742 -12.250 1.00 0.49 C ATOM 898 C LEU A 58 -22.030 -16.939 -12.660 1.00 0.60 C ATOM 899 O LEU A 58 -21.735 -17.630 -13.638 1.00 0.89 O ATOM 900 CB LEU A 58 -19.963 -15.602 -13.191 1.00 0.67 C ATOM 901 CG LEU A 58 -19.249 -14.259 -13.003 1.00 0.70 C ATOM 902 CD1 LEU A 58 -17.889 -14.269 -13.710 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.109 -13.104 -13.521 1.00 0.60 C ATOM 0 H LEU A 58 -19.821 -16.386 -10.775 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.769 -14.834 -12.322 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.262 -16.416 -13.006 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.295 -15.696 -14.225 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.086 -14.111 -11.935 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.397 -13.307 -13.566 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.268 -15.061 -13.292 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.034 -14.446 -14.776 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.579 -12.162 -13.376 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.310 -13.247 -14.583 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.051 -13.078 -12.974 1.00 0.60 H new ATOM 915 N LYS A 59 -23.101 -17.171 -11.902 1.00 0.70 N ATOM 916 CA LYS A 59 -24.035 -18.270 -12.165 1.00 0.90 C ATOM 917 C LYS A 59 -25.172 -17.748 -13.039 1.00 0.87 C ATOM 918 O LYS A 59 -26.102 -17.110 -12.545 1.00 0.95 O ATOM 919 CB LYS A 59 -24.586 -18.826 -10.843 1.00 1.13 C ATOM 920 CG LYS A 59 -25.466 -20.063 -11.067 1.00 1.41 C ATOM 921 CD LYS A 59 -25.350 -21.061 -9.907 1.00 1.78 C ATOM 922 CE LYS A 59 -24.034 -21.845 -9.958 1.00 2.18 C ATOM 923 NZ LYS A 59 -23.912 -22.654 -11.205 1.00 2.83 N ATOM 0 H LYS A 59 -23.347 -16.605 -11.090 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.518 -19.078 -12.682 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.757 -19.084 -10.184 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.166 -18.054 -10.338 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -26.505 -19.754 -11.179 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -25.177 -20.552 -11.997 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.418 -20.526 -8.960 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -26.189 -21.756 -9.941 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -23.196 -21.151 -9.893 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.971 -22.503 -9.091 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -23.209 -23.407 -11.063 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -24.833 -23.079 -11.435 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -23.609 -22.041 -11.988 1.00 2.83 H new ATOM 937 N GLU A 60 -25.063 -18.001 -14.344 1.00 0.89 N ATOM 938 CA GLU A 60 -26.046 -17.548 -15.340 1.00 0.93 C ATOM 939 C GLU A 60 -26.105 -16.015 -15.373 1.00 0.71 C ATOM 940 O GLU A 60 -27.191 -15.427 -15.373 1.00 0.82 O ATOM 941 CB GLU A 60 -27.440 -18.144 -15.058 1.00 1.20 C ATOM 942 CG GLU A 60 -27.399 -19.680 -14.982 1.00 1.43 C ATOM 943 CD GLU A 60 -28.689 -20.280 -15.533 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.781 -19.797 -15.172 1.00 2.33 O ATOM 945 OE2 GLU A 60 -28.613 -21.240 -16.327 1.00 2.04 O ATOM 0 H GLU A 60 -24.288 -18.528 -14.746 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.726 -17.904 -16.319 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.824 -17.744 -14.120 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.132 -17.837 -15.842 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.546 -20.055 -15.548 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -27.258 -19.995 -13.948 1.00 1.43 H new ATOM 952 N ALA A 61 -24.932 -15.372 -15.408 1.00 0.51 N ATOM 953 CA ALA A 61 -24.847 -13.911 -15.449 1.00 0.35 C ATOM 954 C ALA A 61 -25.303 -13.410 -16.814 1.00 0.35 C ATOM 955 O ALA A 61 -24.687 -13.734 -17.836 1.00 0.43 O ATOM 956 CB ALA A 61 -23.410 -13.440 -15.176 1.00 0.31 C ATOM 0 H ALA A 61 -24.028 -15.844 -15.409 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.496 -13.504 -14.674 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.371 -12.351 -15.212 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.096 -13.782 -14.190 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.742 -13.852 -15.933 1.00 0.31 H new ATOM 962 N ILE A 62 -26.377 -12.625 -16.837 1.00 0.34 N ATOM 963 CA ILE A 62 -26.903 -12.086 -18.092 1.00 0.37 C ATOM 964 C ILE A 62 -26.124 -10.825 -18.448 1.00 0.31 C ATOM 965 O ILE A 62 -25.997 -9.908 -17.635 1.00 0.31 O ATOM 966 CB ILE A 62 -28.404 -11.784 -17.991 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.173 -12.992 -17.440 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.962 -11.393 -19.365 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.599 -12.609 -17.049 1.00 1.27 C ATOM 0 H ILE A 62 -26.899 -12.348 -16.006 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.780 -12.832 -18.877 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.534 -10.950 -17.302 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.199 -13.783 -18.190 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.651 -13.393 -16.572 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -30.028 -11.182 -19.278 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.444 -10.505 -19.729 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.811 -12.214 -20.066 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.118 -13.486 -16.662 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.571 -11.836 -16.281 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -31.127 -12.231 -17.924 1.00 1.27 H new ATOM 981 N CYS A 63 -25.589 -10.798 -19.656 1.00 0.34 N ATOM 982 CA CYS A 63 -24.790 -9.677 -20.134 1.00 0.33 C ATOM 983 C CYS A 63 -25.395 -9.098 -21.415 1.00 0.34 C ATOM 984 O CYS A 63 -26.006 -9.817 -22.211 1.00 0.52 O ATOM 985 CB CYS A 63 -23.355 -10.159 -20.373 1.00 0.37 C ATOM 986 SG CYS A 63 -22.189 -8.807 -20.606 1.00 0.53 S ATOM 0 H CYS A 63 -25.695 -11.551 -20.335 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.782 -8.884 -19.386 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -23.035 -10.765 -19.526 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.336 -10.804 -21.252 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.636 -7.741 -20.011 1.00 0.53 H new ATOM 992 N GLU A 64 -25.212 -7.794 -21.604 1.00 0.26 N ATOM 993 CA GLU A 64 -25.717 -7.082 -22.780 1.00 0.29 C ATOM 994 C GLU A 64 -24.697 -6.019 -23.192 1.00 0.24 C ATOM 995 O GLU A 64 -23.935 -5.531 -22.358 1.00 0.36 O ATOM 996 CB GLU A 64 -27.082 -6.437 -22.464 1.00 0.33 C ATOM 997 CG GLU A 64 -28.136 -6.795 -23.517 1.00 0.81 C ATOM 998 CD GLU A 64 -27.819 -6.115 -24.842 1.00 1.41 C ATOM 999 OE1 GLU A 64 -27.022 -6.670 -25.626 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -28.353 -5.016 -25.095 1.00 1.96 O ATOM 0 H GLU A 64 -24.709 -7.198 -20.947 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.858 -7.781 -23.604 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.422 -6.767 -21.482 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -26.970 -5.354 -22.415 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.168 -7.876 -23.655 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -29.123 -6.488 -23.171 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.692 -5.662 -24.471 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.769 -4.653 -25.004 1.00 0.32 C ATOM 1009 C VAL A 65 -24.443 -3.276 -24.994 1.00 0.31 C ATOM 1010 O VAL A 65 -25.633 -3.157 -25.295 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.342 -5.031 -26.436 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.963 -4.453 -26.761 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -23.325 -6.551 -26.626 1.00 0.39 C ATOM 0 H VAL A 65 -25.322 -6.058 -25.169 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.879 -4.614 -24.375 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.076 -4.605 -27.120 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.682 -4.732 -27.776 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -21.995 -3.367 -26.679 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.228 -4.848 -26.059 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -23.020 -6.787 -27.646 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.621 -6.998 -25.924 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -24.322 -6.952 -26.444 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.676 -2.246 -24.641 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.175 -0.867 -24.577 1.00 0.31 C ATOM 1025 C ALA A 66 -23.212 0.070 -25.310 1.00 0.34 C ATOM 1026 O ALA A 66 -22.260 0.594 -24.727 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.340 -0.437 -23.110 1.00 0.36 C ATOM 0 H ALA A 66 -22.692 -2.340 -24.391 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.148 -0.813 -25.064 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.711 0.587 -23.071 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.050 -1.099 -22.614 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.376 -0.494 -22.604 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.474 0.277 -26.599 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.656 1.155 -27.442 1.00 0.71 C ATOM 1035 C LEU A 67 -23.362 2.503 -27.654 1.00 0.89 C ATOM 1036 O LEU A 67 -22.845 3.379 -28.350 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.378 0.471 -28.790 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.019 -0.230 -28.790 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -21.046 -1.451 -27.877 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.617 -0.634 -30.208 1.00 1.39 C ATOM 0 H LEU A 67 -24.256 -0.156 -27.090 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.706 1.344 -26.942 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -23.164 -0.255 -29.000 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.407 1.212 -29.589 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.276 0.471 -28.410 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -20.070 -1.937 -27.890 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -21.283 -1.139 -26.860 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -21.804 -2.151 -28.228 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.647 -1.131 -30.184 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.363 -1.315 -30.618 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.553 0.255 -30.835 1.00 1.39 H new ATOM 1052 N ASP A 68 -24.547 2.661 -27.049 1.00 0.90 N ATOM 1053 CA ASP A 68 -25.344 3.893 -27.158 1.00 1.14 C ATOM 1054 C ASP A 68 -25.604 4.514 -25.773 1.00 0.87 C ATOM 1055 O ASP A 68 -26.514 5.328 -25.613 1.00 1.00 O ATOM 1056 CB ASP A 68 -26.677 3.596 -27.879 1.00 1.59 C ATOM 1057 CG ASP A 68 -27.662 2.826 -26.990 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -27.280 1.763 -26.457 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -28.814 3.278 -26.825 1.00 2.62 O ATOM 0 H ASP A 68 -24.980 1.941 -26.471 1.00 0.90 H new ATOM 0 HA ASP A 68 -24.777 4.617 -27.744 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -27.133 4.534 -28.195 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.478 3.018 -28.782 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.792 4.136 -24.778 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.915 4.654 -23.406 1.00 0.69 C ATOM 1066 C TYR A 69 -24.318 6.074 -23.315 1.00 0.97 C ATOM 1067 O TYR A 69 -23.496 6.363 -22.445 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.203 3.690 -22.436 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.270 4.118 -20.981 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.476 4.086 -20.295 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.125 4.554 -20.334 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -25.529 4.491 -18.967 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -23.182 4.955 -19.010 1.00 0.64 C ATOM 1074 CZ TYR A 69 -24.381 4.924 -18.333 1.00 0.76 C ATOM 1075 OH TYR A 69 -24.430 5.332 -17.016 1.00 0.97 O ATOM 0 H TYR A 69 -24.033 3.465 -24.898 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.968 4.718 -23.130 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.647 2.699 -22.534 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.157 3.601 -22.730 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.372 3.747 -20.793 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.185 4.581 -20.864 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -26.466 4.467 -18.431 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -22.287 5.292 -18.508 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.348 5.253 -16.683 1.00 0.97 H new ATOM 1085 N LYS A 70 -24.744 6.946 -24.238 1.00 1.40 N ATOM 1086 CA LYS A 70 -24.289 8.349 -24.325 1.00 1.81 C ATOM 1087 C LYS A 70 -22.829 8.441 -24.803 1.00 1.82 C ATOM 1088 O LYS A 70 -22.538 9.110 -25.794 1.00 2.53 O ATOM 1089 CB LYS A 70 -24.467 9.084 -22.985 1.00 2.43 C ATOM 1090 CG LYS A 70 -25.926 9.045 -22.514 1.00 2.98 C ATOM 1091 CD LYS A 70 -26.667 10.332 -22.881 1.00 3.79 C ATOM 1092 CE LYS A 70 -28.159 10.232 -22.549 1.00 4.45 C ATOM 1093 NZ LYS A 70 -28.862 9.269 -23.443 1.00 4.84 N ATOM 0 H LYS A 70 -25.424 6.698 -24.957 1.00 1.40 H new ATOM 0 HA LYS A 70 -24.918 8.842 -25.066 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -23.827 8.627 -22.230 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -24.145 10.120 -23.091 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -26.432 8.191 -22.964 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -25.957 8.901 -21.434 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -26.228 11.172 -22.343 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -26.542 10.535 -23.945 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -28.280 9.920 -21.512 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -28.619 11.216 -22.642 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -29.890 9.364 -23.316 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -28.615 9.471 -24.433 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -28.572 8.299 -23.205 1.00 4.84 H new ATOM 1107 N LYS A 71 -21.925 7.760 -24.101 1.00 1.80 N ATOM 1108 CA LYS A 71 -20.502 7.747 -24.445 1.00 2.22 C ATOM 1109 C LYS A 71 -20.211 6.623 -25.448 1.00 2.19 C ATOM 1110 O LYS A 71 -20.993 5.675 -25.585 1.00 2.78 O ATOM 1111 CB LYS A 71 -19.661 7.553 -23.176 1.00 2.97 C ATOM 1112 CG LYS A 71 -20.035 8.568 -22.086 1.00 3.56 C ATOM 1113 CD LYS A 71 -18.791 9.132 -21.388 1.00 4.44 C ATOM 1114 CE LYS A 71 -18.079 8.064 -20.551 1.00 5.27 C ATOM 1115 NZ LYS A 71 -18.594 8.027 -19.152 1.00 5.62 N ATOM 0 H LYS A 71 -22.156 7.202 -23.279 1.00 1.80 H new ATOM 0 HA LYS A 71 -20.239 8.701 -24.903 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -19.804 6.542 -22.796 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -18.604 7.655 -23.421 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -20.606 9.384 -22.529 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -20.681 8.090 -21.349 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -18.103 9.528 -22.135 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -19.079 9.965 -20.747 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -18.215 7.087 -21.015 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -17.008 8.265 -20.539 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -18.089 7.293 -18.616 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -18.441 8.952 -18.701 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -19.611 7.811 -19.162 1.00 5.62 H new ATOM 1129 N LYS A 72 -19.083 6.737 -26.143 1.00 2.22 N ATOM 1130 CA LYS A 72 -18.658 5.743 -27.139 1.00 2.54 C ATOM 1131 C LYS A 72 -17.257 5.228 -26.793 1.00 1.92 C ATOM 1132 O LYS A 72 -16.269 5.570 -27.448 1.00 2.45 O ATOM 1133 CB LYS A 72 -18.696 6.351 -28.555 1.00 3.71 C ATOM 1134 CG LYS A 72 -18.216 7.806 -28.579 1.00 4.59 C ATOM 1135 CD LYS A 72 -18.158 8.343 -30.012 1.00 5.67 C ATOM 1136 CE LYS A 72 -17.502 9.724 -30.071 1.00 6.56 C ATOM 1137 NZ LYS A 72 -16.016 9.624 -30.053 1.00 7.03 N ATOM 0 H LYS A 72 -18.435 7.517 -26.036 1.00 2.22 H new ATOM 0 HA LYS A 72 -19.348 4.899 -27.122 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -18.072 5.754 -29.220 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -19.714 6.301 -28.942 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -18.887 8.424 -27.983 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -17.229 7.874 -28.121 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -17.600 7.648 -30.639 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -19.167 8.401 -30.420 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -17.822 10.241 -30.975 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -17.838 10.324 -29.225 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -15.603 10.578 -30.094 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -15.710 9.152 -29.178 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -15.695 9.072 -30.874 1.00 7.03 H new ATOM 1151 N LYS A 73 -17.190 4.399 -25.750 1.00 1.52 N ATOM 1152 CA LYS A 73 -15.932 3.797 -25.273 1.00 1.35 C ATOM 1153 C LYS A 73 -16.055 2.270 -25.184 1.00 1.05 C ATOM 1154 O LYS A 73 -15.048 1.589 -25.015 1.00 1.79 O ATOM 1155 CB LYS A 73 -15.576 4.362 -23.893 1.00 1.94 C ATOM 1156 CG LYS A 73 -15.093 5.811 -23.990 1.00 2.32 C ATOM 1157 CD LYS A 73 -15.408 6.588 -22.710 1.00 2.93 C ATOM 1158 CE LYS A 73 -14.288 7.572 -22.360 1.00 3.52 C ATOM 1159 NZ LYS A 73 -13.031 6.867 -21.971 1.00 3.96 N ATOM 0 H LYS A 73 -18.007 4.122 -25.206 1.00 1.52 H new ATOM 0 HA LYS A 73 -15.144 4.042 -25.986 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -16.448 4.311 -23.241 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -14.800 3.748 -23.436 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -14.019 5.827 -24.173 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -15.568 6.299 -24.841 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -16.345 7.131 -22.834 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -15.551 5.890 -21.885 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -14.092 8.219 -23.215 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -14.612 8.215 -21.542 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -12.438 7.503 -21.401 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -13.266 6.021 -21.414 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -12.512 6.585 -22.827 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.302 1.777 -25.286 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.677 0.347 -25.216 1.00 0.38 C ATOM 1175 C HIS A 74 -18.086 -0.008 -23.789 1.00 0.30 C ATOM 1176 O HIS A 74 -17.244 -0.339 -22.946 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.585 -0.626 -25.715 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.351 -0.561 -27.201 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.408 0.245 -27.788 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.950 -1.204 -28.237 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.420 0.113 -29.093 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.354 -0.770 -29.407 1.00 1.53 N ATOM 0 H HIS A 74 -18.110 2.384 -25.425 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.516 0.221 -25.901 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.651 -0.405 -25.199 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.866 -1.644 -25.444 1.00 0.64 H new ATOM 0 HD1 HIS A 74 -14.780 0.865 -27.277 1.00 1.30 H new ATOM 0 HD2 HIS A 74 -17.750 -1.926 -28.160 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.780 0.634 -29.789 1.00 1.47 H new ATOM 1190 N VAL A 75 -19.396 0.056 -23.536 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.981 -0.261 -22.231 1.00 0.23 C ATOM 1192 C VAL A 75 -20.832 -1.527 -22.369 1.00 0.22 C ATOM 1193 O VAL A 75 -21.324 -1.833 -23.456 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.839 0.932 -21.747 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.655 0.595 -20.494 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.958 2.148 -21.464 1.00 0.31 C ATOM 0 H VAL A 75 -20.085 0.331 -24.236 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.197 -0.438 -21.494 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.538 1.160 -22.552 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.239 1.465 -20.195 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.326 -0.236 -20.710 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.980 0.316 -19.685 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.580 2.977 -21.125 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.232 1.899 -20.690 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.433 2.437 -22.375 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.005 -2.265 -21.279 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.804 -3.492 -21.291 1.00 0.23 C ATOM 1208 C PHE A 76 -22.505 -3.678 -19.948 1.00 0.22 C ATOM 1209 O PHE A 76 -21.963 -3.326 -18.899 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.928 -4.710 -21.631 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.831 -5.005 -20.624 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.637 -4.301 -20.668 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.028 -5.962 -19.642 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.646 -4.553 -19.733 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.037 -6.217 -18.710 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.805 -5.576 -18.813 1.00 0.29 C ATOM 0 H PHE A 76 -20.602 -2.037 -20.370 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.566 -3.404 -22.066 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.568 -5.588 -21.717 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.472 -4.551 -22.608 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.479 -3.555 -21.433 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.957 -6.511 -19.604 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.749 -3.951 -19.722 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.219 -6.912 -17.904 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.981 -5.874 -18.181 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.709 -4.233 -19.986 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.491 -4.473 -18.776 1.00 0.28 C ATOM 1228 C LYS A 77 -24.207 -5.873 -18.239 1.00 0.31 C ATOM 1229 O LYS A 77 -23.875 -6.788 -18.995 1.00 0.58 O ATOM 1230 CB LYS A 77 -25.989 -4.313 -19.066 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.835 -4.556 -17.811 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.198 -3.863 -17.886 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.089 -4.280 -16.710 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.177 -3.293 -16.457 1.00 1.95 N ATOM 0 H LYS A 77 -24.170 -4.528 -20.847 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.203 -3.739 -18.023 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.182 -3.310 -19.447 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.286 -5.013 -19.847 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -26.982 -5.628 -17.676 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.294 -4.196 -16.936 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.062 -2.782 -17.879 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.688 -4.116 -18.826 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.526 -5.257 -16.915 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.479 -4.386 -15.813 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.913 -3.731 -15.867 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.786 -2.464 -15.965 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.592 -2.994 -17.363 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.350 -6.025 -16.931 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.127 -7.296 -16.250 1.00 0.24 C ATOM 1250 C LEU A 78 -25.185 -7.478 -15.159 1.00 0.29 C ATOM 1251 O LEU A 78 -25.295 -6.657 -14.242 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.711 -7.329 -15.643 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.880 -8.494 -16.189 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.554 -8.591 -15.430 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.641 -9.822 -16.105 1.00 0.30 C ATOM 0 H LEU A 78 -24.626 -5.267 -16.307 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.211 -8.114 -16.966 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.203 -6.389 -15.858 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.783 -7.412 -14.559 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.679 -8.298 -17.242 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -19.969 -9.422 -15.824 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -19.995 -7.663 -15.553 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -20.752 -8.757 -14.371 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.018 -10.624 -16.502 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -22.888 -10.035 -15.065 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.559 -9.753 -16.689 1.00 0.30 H new ATOM 1267 N ARG A 79 -25.958 -8.555 -15.268 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.014 -8.878 -14.304 1.00 0.40 C ATOM 1269 C ARG A 79 -26.630 -10.141 -13.542 1.00 0.45 C ATOM 1270 O ARG A 79 -26.306 -11.167 -14.156 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.348 -9.097 -15.033 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.538 -8.956 -14.084 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.872 -9.057 -14.838 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.830 -8.064 -14.333 1.00 1.91 N ATOM 1275 CZ ARG A 79 -33.062 -8.405 -13.956 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.243 -9.298 -12.996 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -34.109 -7.855 -14.552 1.00 2.99 N ATOM 0 H ARG A 79 -25.872 -9.231 -16.027 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.129 -8.049 -13.606 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.442 -8.376 -15.845 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.358 -10.089 -15.485 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.490 -9.733 -13.321 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.482 -7.998 -13.568 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.706 -8.900 -15.904 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.285 -10.059 -14.724 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.544 -7.087 -14.269 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.438 -9.728 -12.541 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -34.188 -9.556 -12.711 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -33.971 -7.172 -15.297 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -35.053 -8.114 -14.266 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.670 -10.064 -12.211 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.328 -11.201 -11.350 1.00 0.68 C ATOM 1293 C LEU A 80 -27.385 -12.310 -11.463 1.00 0.84 C ATOM 1294 O LEU A 80 -28.418 -12.143 -12.121 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.195 -10.729 -9.893 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.039 -9.732 -9.700 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.599 -9.712 -8.236 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.848 -10.062 -10.605 1.00 1.26 C ATOM 0 H LEU A 80 -26.937 -9.222 -11.702 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.374 -11.613 -11.678 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.129 -10.263 -9.579 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.037 -11.593 -9.248 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.404 -8.744 -9.980 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.781 -9.003 -8.112 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.438 -9.412 -7.608 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.265 -10.707 -7.943 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.053 -9.335 -10.439 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.481 -11.062 -10.373 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.162 -10.024 -11.648 1.00 1.26 H new ATOM 1310 N SER A 81 -27.098 -13.452 -10.829 1.00 1.01 N ATOM 1311 CA SER A 81 -27.971 -14.637 -10.843 1.00 1.23 C ATOM 1312 C SER A 81 -29.445 -14.291 -10.572 1.00 1.40 C ATOM 1313 O SER A 81 -30.342 -14.765 -11.273 1.00 1.92 O ATOM 1314 CB SER A 81 -27.462 -15.674 -9.816 1.00 1.52 C ATOM 1315 OG SER A 81 -26.453 -15.131 -8.962 1.00 2.18 O ATOM 0 H SER A 81 -26.245 -13.584 -10.285 1.00 1.01 H new ATOM 0 HA SER A 81 -27.929 -15.061 -11.846 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.298 -16.026 -9.211 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.063 -16.541 -10.343 1.00 1.52 H new ATOM 0 HG SER A 81 -26.159 -15.816 -8.326 1.00 2.18 H new ATOM 1321 N ASP A 82 -29.684 -13.469 -9.558 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.043 -13.059 -9.193 1.00 1.76 C ATOM 1323 C ASP A 82 -30.979 -11.858 -8.246 1.00 1.31 C ATOM 1324 O ASP A 82 -31.292 -11.980 -7.062 1.00 1.74 O ATOM 1325 CB ASP A 82 -31.789 -14.235 -8.520 1.00 2.76 C ATOM 1326 CG ASP A 82 -33.243 -13.873 -8.190 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -33.864 -13.103 -8.956 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -33.761 -14.356 -7.162 1.00 3.77 O ATOM 0 H ASP A 82 -28.954 -13.069 -8.969 1.00 1.33 H new ATOM 0 HA ASP A 82 -31.587 -12.773 -10.093 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -31.771 -15.102 -9.180 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -31.269 -14.520 -7.605 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.577 -10.692 -8.754 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.501 -9.512 -7.909 1.00 1.53 C ATOM 1335 C GLY A 83 -29.886 -8.309 -8.619 1.00 1.31 C ATOM 1336 O GLY A 83 -30.402 -7.849 -9.659 1.00 1.88 O ATOM 0 H GLY A 83 -30.305 -10.546 -9.726 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.503 -9.252 -7.567 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -29.911 -9.744 -7.022 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.812 -7.790 -7.994 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.075 -6.587 -8.431 1.00 0.71 C ATOM 1342 C ASN A 84 -27.847 -6.491 -9.951 1.00 0.62 C ATOM 1343 O ASN A 84 -27.601 -7.491 -10.636 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.719 -6.508 -7.710 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.888 -6.460 -6.185 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.965 -6.730 -5.650 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.827 -6.115 -5.480 1.00 1.32 N ATOM 0 H ASN A 84 -28.422 -8.206 -7.149 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.713 -5.745 -8.164 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.112 -7.371 -7.982 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.180 -5.621 -8.044 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.884 -6.066 -4.463 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -24.950 -5.897 -5.952 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.910 -5.250 -10.445 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.703 -4.912 -11.856 1.00 0.55 C ATOM 1356 C GLU A 85 -26.596 -3.854 -11.952 1.00 0.47 C ATOM 1357 O GLU A 85 -26.679 -2.810 -11.295 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.003 -4.349 -12.450 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.915 -5.464 -12.950 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.220 -4.882 -13.474 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -32.041 -4.419 -12.654 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -31.432 -4.897 -14.701 1.00 1.43 O ATOM 0 H GLU A 85 -28.110 -4.437 -9.863 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.415 -5.805 -12.411 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.525 -3.761 -11.695 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.767 -3.674 -13.273 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.416 -6.025 -13.740 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.120 -6.166 -12.142 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.563 -4.120 -12.752 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.441 -3.183 -12.908 1.00 0.31 C ATOM 1371 C TYR A 86 -24.097 -2.957 -14.385 1.00 0.29 C ATOM 1372 O TYR A 86 -24.319 -3.828 -15.229 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.185 -3.733 -12.211 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.355 -4.033 -10.740 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.213 -3.021 -9.802 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.687 -5.311 -10.326 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.404 -3.291 -8.458 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.872 -5.579 -8.983 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.600 -4.589 -8.043 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.925 -4.843 -6.721 1.00 0.77 O ATOM 0 H TYR A 86 -25.476 -4.974 -13.303 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.750 -2.239 -12.458 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.875 -4.646 -12.720 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.376 -3.012 -12.329 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -22.953 -2.022 -10.120 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.802 -6.101 -11.054 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.399 -2.486 -7.738 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -24.225 -6.549 -8.665 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.639 -4.090 -6.163 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.485 -1.802 -14.664 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.007 -1.443 -16.005 1.00 0.23 C ATOM 1392 C LEU A 87 -21.483 -1.352 -15.927 1.00 0.22 C ATOM 1393 O LEU A 87 -20.948 -0.753 -14.989 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.565 -0.091 -16.486 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.093 -0.013 -16.436 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.575 1.273 -17.109 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.728 -1.229 -17.105 1.00 0.38 C ATOM 0 H LEU A 87 -23.306 -1.084 -13.962 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.344 -2.198 -16.715 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.147 0.706 -15.871 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.232 0.088 -17.508 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.400 -0.005 -15.390 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.663 1.319 -17.068 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.156 2.135 -16.590 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.250 1.283 -18.149 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.814 -1.147 -17.054 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.416 -1.275 -18.148 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.409 -2.135 -16.591 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.788 -1.955 -16.886 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.325 -1.957 -16.900 1.00 0.19 C ATOM 1411 C PHE A 88 -18.784 -1.257 -18.144 1.00 0.20 C ATOM 1412 O PHE A 88 -19.247 -1.509 -19.255 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.814 -3.397 -16.849 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.902 -4.010 -15.467 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.840 -3.880 -14.587 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.037 -4.705 -15.077 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.909 -4.440 -13.325 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.107 -5.266 -13.812 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.043 -5.135 -12.936 1.00 0.22 C ATOM 0 H PHE A 88 -21.215 -2.451 -17.668 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.972 -1.411 -16.025 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.389 -4.005 -17.547 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.777 -3.420 -17.185 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -16.955 -3.339 -14.888 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.867 -4.809 -15.760 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.079 -4.336 -12.642 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.992 -5.806 -13.509 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.097 -5.574 -11.951 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.791 -0.392 -17.944 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.147 0.352 -19.036 1.00 0.26 C ATOM 1431 C GLN A 89 -15.706 -0.123 -19.201 1.00 0.22 C ATOM 1432 O GLN A 89 -14.952 -0.202 -18.220 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.170 1.859 -18.730 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.718 2.698 -19.936 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.373 4.124 -19.505 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -17.176 5.045 -19.655 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.175 4.307 -18.971 1.00 1.63 N ATOM 0 H GLN A 89 -17.407 -0.184 -17.022 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.693 0.171 -19.962 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.178 2.155 -18.440 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.520 2.066 -17.880 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.849 2.234 -20.403 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.509 2.721 -20.686 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.538 3.517 -18.864 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -14.889 5.238 -18.667 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.324 -0.421 -20.443 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.964 -0.872 -20.757 1.00 0.24 C ATOM 1448 C ALA A 90 -13.087 0.329 -21.128 1.00 0.27 C ATOM 1449 O ALA A 90 -13.594 1.375 -21.545 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.992 -1.872 -21.916 1.00 0.29 C ATOM 0 H ALA A 90 -15.940 -0.358 -21.254 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.546 -1.362 -19.878 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.976 -2.199 -22.139 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.598 -2.734 -21.638 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.422 -1.396 -22.797 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.775 0.174 -20.961 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.809 1.244 -21.260 1.00 0.44 C ATOM 1458 C LYS A 91 -9.991 0.953 -22.531 1.00 0.49 C ATOM 1459 O LYS A 91 -9.432 1.878 -23.127 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.873 1.459 -20.054 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.347 0.148 -19.451 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.845 -0.005 -19.672 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.332 -1.334 -19.106 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.486 -2.447 -20.085 1.00 2.29 N ATOM 0 H LYS A 91 -11.348 -0.687 -20.618 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.376 2.156 -21.448 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.027 2.073 -20.364 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -10.406 2.017 -19.284 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.563 0.125 -18.383 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -9.870 -0.696 -19.900 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.625 0.048 -20.738 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.319 0.823 -19.196 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.282 -1.232 -18.833 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.876 -1.575 -18.193 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -7.440 -3.358 -19.585 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -8.404 -2.362 -20.566 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -6.721 -2.399 -20.788 1.00 2.29 H new ATOM 1478 N ASP A 92 -9.914 -0.320 -22.940 1.00 0.49 N ATOM 1479 CA ASP A 92 -9.144 -0.713 -24.137 1.00 0.66 C ATOM 1480 C ASP A 92 -10.065 -0.999 -25.335 1.00 0.59 C ATOM 1481 O ASP A 92 -9.626 -1.572 -26.330 1.00 0.75 O ATOM 1482 CB ASP A 92 -8.275 -1.950 -23.813 1.00 0.84 C ATOM 1483 CG ASP A 92 -6.828 -1.547 -23.544 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -6.169 -1.024 -24.468 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -6.345 -1.755 -22.414 1.00 2.01 O ATOM 0 H ASP A 92 -10.373 -1.097 -22.464 1.00 0.49 H new ATOM 0 HA ASP A 92 -8.498 0.120 -24.416 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.680 -2.466 -22.942 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -8.312 -2.653 -24.645 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.336 -0.577 -25.236 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.352 -0.756 -26.308 1.00 0.63 C ATOM 1492 C ASP A 93 -12.638 -2.240 -26.572 1.00 0.49 C ATOM 1493 O ASP A 93 -13.654 -2.765 -26.118 1.00 0.54 O ATOM 1494 CB ASP A 93 -11.924 -0.046 -27.615 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.165 1.458 -27.514 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -11.390 2.144 -26.819 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -13.134 1.957 -28.122 1.00 2.21 O ATOM 0 H ASP A 93 -11.698 -0.099 -24.411 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.274 -0.293 -25.955 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -10.869 -0.238 -27.811 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.484 -0.454 -28.457 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.727 -2.909 -27.292 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.853 -4.348 -27.626 1.00 0.41 C ATOM 1504 C GLU A 94 -11.983 -5.201 -26.355 1.00 0.36 C ATOM 1505 O GLU A 94 -12.604 -6.272 -26.362 1.00 0.41 O ATOM 1506 CB GLU A 94 -10.633 -4.809 -28.433 1.00 0.49 C ATOM 1507 CG GLU A 94 -10.470 -4.020 -29.738 1.00 1.21 C ATOM 1508 CD GLU A 94 -11.643 -4.269 -30.682 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -12.264 -5.349 -30.606 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -11.942 -3.386 -31.508 1.00 2.43 O ATOM 0 H GLU A 94 -10.881 -2.476 -27.662 1.00 0.41 H new ATOM 0 HA GLU A 94 -12.756 -4.478 -28.223 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.734 -4.695 -27.827 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -10.731 -5.870 -28.662 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.398 -2.955 -29.516 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.539 -4.308 -30.226 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.410 -4.689 -25.262 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.449 -5.339 -23.943 1.00 0.29 C ATOM 1519 C GLU A 95 -12.901 -5.649 -23.535 1.00 0.24 C ATOM 1520 O GLU A 95 -13.163 -6.637 -22.853 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.797 -4.403 -22.926 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.384 -5.120 -21.637 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.154 -4.106 -20.519 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.088 -2.897 -20.810 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.042 -4.519 -19.341 1.00 1.30 O ATOM 0 H GLU A 95 -10.901 -3.805 -25.265 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.907 -6.284 -23.980 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.919 -3.940 -23.376 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.491 -3.599 -22.682 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.159 -5.828 -21.342 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.474 -5.696 -21.808 1.00 0.42 H new ATOM 1532 N MET A 96 -13.834 -4.802 -23.993 1.00 0.24 N ATOM 1533 CA MET A 96 -15.271 -4.971 -23.723 1.00 0.22 C ATOM 1534 C MET A 96 -15.754 -6.334 -24.235 1.00 0.22 C ATOM 1535 O MET A 96 -16.432 -7.072 -23.521 1.00 0.23 O ATOM 1536 CB MET A 96 -16.060 -3.847 -24.412 1.00 0.26 C ATOM 1537 CG MET A 96 -17.538 -3.835 -23.997 1.00 0.39 C ATOM 1538 SD MET A 96 -18.666 -3.557 -25.379 1.00 0.94 S ATOM 1539 CE MET A 96 -18.255 -4.931 -26.468 1.00 0.77 C ATOM 0 H MET A 96 -13.616 -3.982 -24.560 1.00 0.24 H new ATOM 0 HA MET A 96 -15.436 -4.924 -22.647 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.608 -2.886 -24.167 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.989 -3.966 -25.493 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.783 -4.786 -23.523 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.692 -3.057 -23.249 1.00 0.39 H new ATOM 0 HE1 MET A 96 -19.122 -5.183 -27.079 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.425 -4.647 -27.115 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.968 -5.796 -25.870 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.372 -6.666 -25.471 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.738 -7.946 -26.090 1.00 0.28 C ATOM 1551 C ASN A 97 -15.080 -9.105 -25.325 1.00 0.26 C ATOM 1552 O ASN A 97 -15.712 -10.136 -25.068 1.00 0.29 O ATOM 1553 CB ASN A 97 -15.302 -7.946 -27.567 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.727 -9.232 -28.280 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.910 -9.560 -28.334 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.764 -9.955 -28.830 1.00 1.24 N ATOM 0 H ASN A 97 -14.806 -6.063 -26.067 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.819 -8.078 -26.045 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.738 -7.086 -28.076 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -14.219 -7.837 -27.627 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.992 -10.819 -29.321 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.794 -9.648 -28.763 1.00 1.24 H new ATOM 1563 N THR A 98 -13.813 -8.910 -24.950 1.00 0.25 N ATOM 1564 CA THR A 98 -13.046 -9.913 -24.201 1.00 0.27 C ATOM 1565 C THR A 98 -13.681 -10.192 -22.821 1.00 0.23 C ATOM 1566 O THR A 98 -13.737 -11.342 -22.381 1.00 0.27 O ATOM 1567 CB THR A 98 -11.595 -9.429 -24.039 1.00 0.31 C ATOM 1568 OG1 THR A 98 -11.169 -8.749 -25.220 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.653 -10.599 -23.739 1.00 0.39 C ATOM 0 H THR A 98 -13.291 -8.058 -25.155 1.00 0.25 H new ATOM 0 HA THR A 98 -13.057 -10.848 -24.760 1.00 0.27 H new ATOM 0 HB THR A 98 -11.561 -8.739 -23.196 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.245 -8.443 -25.106 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.634 -10.227 -23.630 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.962 -11.087 -22.815 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.691 -11.316 -24.559 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.159 -9.141 -22.146 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.788 -9.280 -20.821 1.00 0.20 C ATOM 1579 C TRP A 99 -16.105 -10.065 -20.916 1.00 0.21 C ATOM 1580 O TRP A 99 -16.358 -10.951 -20.101 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.052 -7.894 -20.199 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.876 -7.339 -19.430 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.156 -6.225 -19.746 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.291 -7.864 -18.215 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.173 -6.054 -18.815 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.221 -7.026 -17.871 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.558 -8.959 -17.393 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.436 -7.243 -16.749 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.776 -9.186 -16.267 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.722 -8.337 -15.949 1.00 0.29 C ATOM 0 H TRP A 99 -14.124 -8.182 -22.493 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.099 -9.832 -20.182 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.319 -7.195 -20.992 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.911 -7.963 -19.532 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.335 -5.582 -20.595 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.492 -5.295 -18.828 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.371 -9.629 -17.631 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.622 -6.576 -16.505 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -12.990 -10.032 -15.631 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.122 -8.532 -15.072 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.937 -9.737 -21.912 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.234 -10.411 -22.111 1.00 0.24 C ATOM 1603 C ILE A 100 -18.034 -11.926 -22.308 1.00 0.28 C ATOM 1604 O ILE A 100 -18.745 -12.743 -21.704 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.975 -9.792 -23.311 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.370 -8.340 -23.001 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.220 -10.612 -23.680 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.861 -7.609 -24.245 1.00 0.29 C ATOM 0 H ILE A 100 -16.738 -9.007 -22.596 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.844 -10.267 -21.219 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.298 -9.803 -24.165 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.152 -8.330 -22.241 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.513 -7.811 -22.583 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.721 -10.150 -24.530 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.922 -11.627 -23.942 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.901 -10.642 -22.830 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.130 -6.586 -23.983 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.070 -7.595 -24.995 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.734 -8.122 -24.648 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.051 -12.299 -23.136 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.746 -13.715 -23.389 1.00 0.35 C ATOM 1622 C GLN A 101 -16.140 -14.369 -22.139 1.00 0.36 C ATOM 1623 O GLN A 101 -16.481 -15.502 -21.800 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.798 -13.848 -24.589 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.531 -13.532 -25.902 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.004 -14.398 -27.045 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -15.302 -13.913 -27.927 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -16.350 -15.677 -27.038 1.00 1.76 N ATOM 0 H GLN A 101 -16.454 -11.644 -23.641 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.675 -14.235 -23.625 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.953 -13.171 -24.467 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.393 -14.859 -24.628 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.600 -13.702 -25.776 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.402 -12.478 -26.150 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.935 -16.043 -26.287 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -16.031 -16.296 -27.784 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.264 -13.636 -21.439 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.629 -14.130 -20.206 1.00 0.37 C ATOM 1639 C ALA A 102 -15.682 -14.383 -19.118 1.00 0.38 C ATOM 1640 O ALA A 102 -15.609 -15.375 -18.394 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.596 -13.116 -19.706 1.00 0.38 C ATOM 0 H ALA A 102 -14.977 -12.694 -21.706 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.128 -15.072 -20.430 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.131 -13.490 -18.794 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -12.831 -12.969 -20.469 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.089 -12.166 -19.499 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.673 -13.488 -19.030 1.00 0.33 N ATOM 1648 CA ILE A 103 -17.770 -13.606 -18.056 1.00 0.38 C ATOM 1649 C ILE A 103 -18.635 -14.830 -18.396 1.00 0.47 C ATOM 1650 O ILE A 103 -19.135 -15.512 -17.500 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.610 -12.310 -18.056 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.874 -11.203 -17.284 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.013 -12.530 -17.462 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.137 -9.821 -17.881 1.00 0.35 C ATOM 0 H ILE A 103 -16.739 -12.664 -19.628 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.361 -13.745 -17.055 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.740 -12.004 -19.094 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.192 -11.215 -16.241 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.803 -11.405 -17.293 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.568 -11.592 -17.482 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.544 -13.279 -18.050 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.922 -12.875 -16.432 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.599 -9.068 -17.306 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.795 -9.801 -18.916 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.205 -9.608 -17.848 1.00 0.35 H new ATOM 1666 N SER A 104 -18.782 -15.115 -19.697 1.00 0.53 N ATOM 1667 CA SER A 104 -19.557 -16.275 -20.157 1.00 0.66 C ATOM 1668 C SER A 104 -18.850 -17.585 -19.766 1.00 0.72 C ATOM 1669 O SER A 104 -19.502 -18.567 -19.409 1.00 0.89 O ATOM 1670 CB SER A 104 -19.750 -16.209 -21.677 1.00 0.81 C ATOM 1671 OG SER A 104 -20.386 -14.990 -22.058 1.00 1.05 O ATOM 0 H SER A 104 -18.375 -14.559 -20.449 1.00 0.53 H new ATOM 0 HA SER A 104 -20.535 -16.254 -19.676 1.00 0.66 H new ATOM 0 HB2 SER A 104 -18.783 -16.290 -22.174 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.351 -17.056 -22.008 1.00 0.81 H new ATOM 0 HG SER A 104 -19.766 -14.243 -21.928 1.00 1.05 H new ATOM 1677 N SER A 105 -17.512 -17.586 -19.819 1.00 0.80 N ATOM 1678 CA SER A 105 -16.713 -18.765 -19.451 1.00 1.13 C ATOM 1679 C SER A 105 -16.630 -18.902 -17.923 1.00 1.23 C ATOM 1680 O SER A 105 -16.894 -19.975 -17.373 1.00 1.61 O ATOM 1681 CB SER A 105 -15.298 -18.646 -20.034 1.00 1.48 C ATOM 1682 OG SER A 105 -15.334 -18.459 -21.444 1.00 1.63 O ATOM 0 H SER A 105 -16.958 -16.782 -20.114 1.00 0.80 H new ATOM 0 HA SER A 105 -17.198 -19.651 -19.860 1.00 1.13 H new ATOM 0 HB2 SER A 105 -14.779 -17.809 -19.567 1.00 1.48 H new ATOM 0 HB3 SER A 105 -14.729 -19.545 -19.799 1.00 1.48 H new ATOM 0 HG SER A 105 -15.680 -17.565 -21.647 1.00 1.63 H new ATOM 1688 N ALA A 106 -16.264 -17.801 -17.254 1.00 1.29 N ATOM 1689 CA ALA A 106 -16.135 -17.749 -15.791 1.00 1.59 C ATOM 1690 C ALA A 106 -14.985 -18.649 -15.314 1.00 2.40 C ATOM 1691 O ALA A 106 -15.132 -19.339 -14.289 1.00 3.00 O ATOM 1692 CB ALA A 106 -17.464 -18.132 -15.127 1.00 1.90 C ATOM 1693 OXT ALA A 106 -13.925 -18.661 -15.973 1.00 3.05 O ATOM 0 H ALA A 106 -16.048 -16.917 -17.714 1.00 1.29 H new ATOM 0 HA ALA A 106 -15.894 -16.728 -15.495 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -17.355 -18.090 -14.043 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.242 -17.436 -15.441 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -17.741 -19.143 -15.424 1.00 1.90 H new TER 1699 ALA A 106