USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 793 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 67 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.7!) USER MOD Set 1.2: A 69 MET CE :methyl 174:sc= 0 (180deg=0) USER MOD Set 2.1: A 52 THR OG1 : rot -120:sc= -1.18 USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= -0.759 USER MOD Set 3.1: A 4 MET CE :methyl -148:sc= -0.189 (180deg=-1.11) USER MOD Set 3.2: A 6 TYR OH : rot 156:sc= 0.37 USER MOD Single : A 1 GLY N :NH3+ -157:sc= 0.313 (180deg=-0.764) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.0185 (180deg=-0.781) USER MOD Single : A 11 ASN : amide:sc= -0.603 K(o=-0.6,f=-2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -77:sc= 1.08 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0583 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.973 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= 0.364 (180deg=-0.484) USER MOD Single : A 35 GLN : amide:sc= -1.01 K(o=-1,f=-5.3!) USER MOD Single : A 36 TYR OH : rot 166:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.00122 X(o=-0.0012,f=-0.27) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00677 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.0188 USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.19) USER MOD Single : A 55 TYR OH : rot -39:sc= 0.433 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 81 MET CE :methyl -154:sc= -0.283 (180deg=-1) USER MOD Single : A 82 LYS NZ :NH3+ -142:sc= 1.2 (180deg=-0.0145) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 160:sc= -0.233 USER MOD Single : A 85 SER OG : rot 180:sc= 0.074 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.57) USER MOD Single : A 95 ASN : amide:sc= 0.816 K(o=0.82,f=-1.1) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 145:sc= 1.16 (180deg=-0.617) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.301 10.472 4.597 1.00 4.75 N ATOM 2 CA GLY A 1 -36.847 10.755 3.251 1.00 3.82 C ATOM 3 C GLY A 1 -37.318 9.496 2.563 1.00 2.64 C ATOM 4 O GLY A 1 -37.586 8.495 3.223 1.00 2.97 O ATOM 0 H1 GLY A 1 -36.351 11.332 5.180 1.00 4.75 H new ATOM 0 H2 GLY A 1 -36.858 9.717 5.046 1.00 4.75 H new ATOM 0 H3 GLY A 1 -35.310 10.168 4.513 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -37.677 11.456 3.335 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -36.083 11.238 2.642 1.00 3.82 H new ATOM 10 N SER A 2 -37.431 9.546 1.245 1.00 1.83 N ATOM 11 CA SER A 2 -37.881 8.399 0.472 1.00 1.07 C ATOM 12 C SER A 2 -36.776 7.352 0.348 1.00 0.80 C ATOM 13 O SER A 2 -35.590 7.670 0.465 1.00 0.96 O ATOM 14 CB SER A 2 -38.329 8.865 -0.913 1.00 1.95 C ATOM 15 OG SER A 2 -39.304 9.893 -0.808 1.00 2.45 O ATOM 0 H SER A 2 -37.216 10.372 0.686 1.00 1.83 H new ATOM 0 HA SER A 2 -38.721 7.936 0.990 1.00 1.07 H new ATOM 0 HB2 SER A 2 -37.469 9.229 -1.475 1.00 1.95 H new ATOM 0 HB3 SER A 2 -38.740 8.023 -1.470 1.00 1.95 H new ATOM 0 HG SER A 2 -39.576 10.178 -1.705 1.00 2.45 H new ATOM 21 N HIS A 3 -37.178 6.098 0.182 1.00 0.62 N ATOM 22 CA HIS A 3 -36.235 4.998 0.017 1.00 0.44 C ATOM 23 C HIS A 3 -35.487 5.105 -1.315 1.00 0.40 C ATOM 24 O HIS A 3 -36.047 4.775 -2.359 1.00 0.53 O ATOM 25 CB HIS A 3 -36.964 3.652 0.065 1.00 0.55 C ATOM 26 CG HIS A 3 -37.177 3.118 1.443 1.00 1.04 C ATOM 27 ND1 HIS A 3 -38.380 2.608 1.870 1.00 1.55 N ATOM 28 CD2 HIS A 3 -36.327 3.001 2.489 1.00 1.91 C ATOM 29 CE1 HIS A 3 -38.262 2.199 3.118 1.00 2.22 C ATOM 30 NE2 HIS A 3 -37.028 2.426 3.516 1.00 2.50 N ATOM 0 H HIS A 3 -38.158 5.816 0.158 1.00 0.62 H new ATOM 0 HA HIS A 3 -35.519 5.060 0.836 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -37.932 3.759 -0.424 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -36.394 2.923 -0.511 1.00 0.55 H new ATOM 0 HD2 HIS A 3 -35.291 3.304 2.510 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -39.045 1.753 3.713 1.00 2.22 H new ATOM 0 HE2 HIS A 3 -36.654 2.209 4.440 1.00 2.50 H new ATOM 39 N MET A 4 -34.255 5.606 -1.293 1.00 0.38 N ATOM 40 CA MET A 4 -33.450 5.682 -2.501 1.00 0.41 C ATOM 41 C MET A 4 -32.404 4.569 -2.475 1.00 0.37 C ATOM 42 O MET A 4 -31.840 4.269 -1.421 1.00 0.43 O ATOM 43 CB MET A 4 -32.799 7.068 -2.635 1.00 0.54 C ATOM 44 CG MET A 4 -31.929 7.473 -1.455 1.00 1.29 C ATOM 45 SD MET A 4 -31.312 9.164 -1.593 1.00 1.92 S ATOM 46 CE MET A 4 -30.445 9.088 -3.160 1.00 2.06 C ATOM 0 H MET A 4 -33.797 5.963 -0.454 1.00 0.38 H new ATOM 0 HA MET A 4 -34.087 5.543 -3.375 1.00 0.41 H new ATOM 0 HB2 MET A 4 -32.192 7.084 -3.540 1.00 0.54 H new ATOM 0 HB3 MET A 4 -33.584 7.813 -2.764 1.00 0.54 H new ATOM 0 HG2 MET A 4 -32.504 7.374 -0.534 1.00 1.29 H new ATOM 0 HG3 MET A 4 -31.085 6.788 -1.379 1.00 1.29 H new ATOM 0 HE1 MET A 4 -29.592 9.766 -3.137 1.00 2.06 H new ATOM 0 HE2 MET A 4 -30.095 8.070 -3.333 1.00 2.06 H new ATOM 0 HE3 MET A 4 -31.120 9.381 -3.964 1.00 2.06 H new ATOM 56 N GLN A 5 -32.214 3.899 -3.603 1.00 0.34 N ATOM 57 CA GLN A 5 -31.294 2.771 -3.667 1.00 0.33 C ATOM 58 C GLN A 5 -29.852 3.224 -3.875 1.00 0.29 C ATOM 59 O GLN A 5 -29.582 4.151 -4.640 1.00 0.49 O ATOM 60 CB GLN A 5 -31.714 1.809 -4.786 1.00 0.44 C ATOM 61 CG GLN A 5 -30.904 0.518 -4.837 1.00 0.53 C ATOM 62 CD GLN A 5 -31.363 -0.412 -5.940 1.00 1.07 C ATOM 63 OE1 GLN A 5 -30.872 -0.355 -7.066 1.00 1.90 O ATOM 64 NE2 GLN A 5 -32.321 -1.268 -5.626 1.00 1.53 N ATOM 0 H GLN A 5 -32.682 4.115 -4.483 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.341 2.253 -2.709 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.767 1.559 -4.659 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.621 2.321 -5.744 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.851 0.759 -4.984 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.983 0.006 -3.878 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -32.701 -1.283 -4.680 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -32.679 -1.913 -6.330 1.00 1.53 H new ATOM 73 N TYR A 6 -28.937 2.556 -3.184 1.00 0.20 N ATOM 74 CA TYR A 6 -27.514 2.849 -3.302 1.00 0.21 C ATOM 75 C TYR A 6 -26.750 1.603 -3.732 1.00 0.23 C ATOM 76 O TYR A 6 -27.221 0.476 -3.552 1.00 0.30 O ATOM 77 CB TYR A 6 -26.937 3.401 -1.984 1.00 0.28 C ATOM 78 CG TYR A 6 -27.211 4.870 -1.776 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.362 5.838 -2.308 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.314 5.294 -1.048 1.00 0.78 C ATOM 81 CE1 TYR A 6 -26.604 7.182 -2.113 1.00 0.82 C ATOM 82 CE2 TYR A 6 -28.564 6.638 -0.850 1.00 0.83 C ATOM 83 CZ TYR A 6 -27.705 7.579 -1.384 1.00 0.43 C ATOM 84 OH TYR A 6 -27.946 8.921 -1.189 1.00 0.53 O ATOM 0 H TYR A 6 -29.157 1.803 -2.532 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.397 3.619 -4.064 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.357 2.839 -1.149 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -25.860 3.235 -1.970 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.500 5.531 -2.882 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -28.988 4.561 -0.629 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -25.934 7.920 -2.529 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -29.427 6.952 -0.281 1.00 0.83 H new ATOM 0 HH TYR A 6 -28.900 9.060 -1.013 1.00 0.53 H new ATOM 94 N LYS A 7 -25.555 1.816 -4.252 1.00 0.26 N ATOM 95 CA LYS A 7 -24.753 0.731 -4.812 1.00 0.30 C ATOM 96 C LYS A 7 -23.385 0.667 -4.124 1.00 0.23 C ATOM 97 O LYS A 7 -22.829 1.698 -3.763 1.00 0.31 O ATOM 98 CB LYS A 7 -24.617 0.961 -6.337 1.00 0.50 C ATOM 99 CG LYS A 7 -24.205 -0.255 -7.163 1.00 0.98 C ATOM 100 CD LYS A 7 -22.786 -0.704 -6.884 1.00 1.30 C ATOM 101 CE LYS A 7 -22.334 -1.760 -7.872 1.00 1.94 C ATOM 102 NZ LYS A 7 -23.192 -2.973 -7.831 1.00 2.57 N ATOM 0 H LYS A 7 -25.112 2.734 -4.301 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.240 -0.229 -4.639 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -25.572 1.326 -6.716 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -23.885 1.752 -6.501 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -24.889 -1.078 -6.955 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -24.304 -0.019 -8.222 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -22.115 0.154 -6.934 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -22.721 -1.101 -5.871 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -22.347 -1.342 -8.879 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -21.303 -2.039 -7.656 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -22.698 -3.763 -8.292 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -23.395 -3.222 -6.842 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -24.085 -2.784 -8.330 1.00 2.57 H new ATOM 116 N LEU A 8 -22.886 -0.548 -3.874 1.00 0.22 N ATOM 117 CA LEU A 8 -21.567 -0.724 -3.254 1.00 0.20 C ATOM 118 C LEU A 8 -20.749 -1.786 -3.981 1.00 0.17 C ATOM 119 O LEU A 8 -21.296 -2.770 -4.493 1.00 0.25 O ATOM 120 CB LEU A 8 -21.709 -1.124 -1.772 1.00 0.28 C ATOM 121 CG LEU A 8 -20.398 -1.329 -1.000 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.765 0.002 -0.614 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.648 -2.162 0.240 1.00 0.33 C ATOM 0 H LEU A 8 -23.371 -1.419 -4.089 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.048 0.232 -3.325 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.290 -0.355 -1.263 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -22.286 -2.047 -1.719 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.703 -1.855 -1.655 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.839 -0.180 -0.069 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.549 0.577 -1.515 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.454 0.563 0.018 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.711 -2.301 0.780 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.365 -1.651 0.883 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -21.048 -3.134 -0.049 1.00 0.33 H new ATOM 135 N ILE A 9 -19.442 -1.550 -4.047 1.00 0.15 N ATOM 136 CA ILE A 9 -18.503 -2.485 -4.641 1.00 0.14 C ATOM 137 C ILE A 9 -17.356 -2.724 -3.670 1.00 0.13 C ATOM 138 O ILE A 9 -16.769 -1.767 -3.156 1.00 0.17 O ATOM 139 CB ILE A 9 -17.925 -1.972 -5.985 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.036 -1.807 -7.031 1.00 0.26 C ATOM 141 CG2 ILE A 9 -16.860 -2.934 -6.501 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.545 -1.193 -8.329 1.00 0.62 C ATOM 0 H ILE A 9 -19.007 -0.700 -3.687 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.045 -3.408 -4.845 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.470 -0.997 -5.810 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.477 -2.782 -7.241 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.827 -1.182 -6.617 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.462 -2.563 -7.445 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.054 -3.009 -5.771 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.303 -3.918 -6.655 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.378 -1.103 -9.027 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.130 -0.205 -8.130 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -17.774 -1.829 -8.764 1.00 0.62 H new ATOM 154 N LEU A 10 -17.066 -3.985 -3.372 1.00 0.12 N ATOM 155 CA LEU A 10 -15.975 -4.296 -2.465 1.00 0.13 C ATOM 156 C LEU A 10 -14.725 -4.624 -3.264 1.00 0.15 C ATOM 157 O LEU A 10 -14.632 -5.683 -3.888 1.00 0.25 O ATOM 158 CB LEU A 10 -16.290 -5.458 -1.492 1.00 0.14 C ATOM 159 CG LEU A 10 -17.514 -5.321 -0.564 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.684 -3.913 -0.045 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.785 -5.807 -1.246 1.00 0.19 C ATOM 0 H LEU A 10 -17.564 -4.795 -3.740 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.820 -3.409 -1.850 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.422 -6.363 -2.086 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.412 -5.614 -0.865 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.326 -5.961 0.298 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.559 -3.867 0.604 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.798 -3.624 0.520 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.818 -3.230 -0.884 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.629 -5.697 -0.565 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.965 -5.216 -2.144 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.673 -6.857 -1.518 1.00 0.19 H new ATOM 173 N ASN A 11 -13.814 -3.667 -3.320 1.00 0.15 N ATOM 174 CA ASN A 11 -12.545 -3.852 -3.999 1.00 0.18 C ATOM 175 C ASN A 11 -11.495 -4.249 -2.983 1.00 0.20 C ATOM 176 O ASN A 11 -10.808 -3.403 -2.415 1.00 0.24 O ATOM 177 CB ASN A 11 -12.104 -2.557 -4.698 1.00 0.24 C ATOM 178 CG ASN A 11 -12.992 -2.151 -5.854 1.00 1.01 C ATOM 179 OD1 ASN A 11 -14.123 -1.728 -5.656 1.00 1.96 O ATOM 180 ND2 ASN A 11 -12.460 -2.216 -7.061 1.00 1.33 N ATOM 0 H ASN A 11 -13.933 -2.746 -2.899 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.662 -4.632 -4.752 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -12.085 -1.749 -3.966 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.084 -2.681 -5.062 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -12.996 -1.907 -7.872 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -11.513 -2.575 -7.182 1.00 1.33 H new ATOM 187 N GLY A 12 -11.414 -5.534 -2.726 1.00 0.21 N ATOM 188 CA GLY A 12 -10.442 -6.048 -1.794 1.00 0.26 C ATOM 189 C GLY A 12 -10.091 -7.484 -2.108 1.00 0.39 C ATOM 190 O GLY A 12 -10.978 -8.285 -2.376 1.00 0.91 O ATOM 0 H GLY A 12 -12.012 -6.243 -3.151 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.542 -5.435 -1.828 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.835 -5.980 -0.780 1.00 0.26 H new ATOM 194 N LYS A 13 -8.807 -7.811 -2.076 1.00 0.44 N ATOM 195 CA LYS A 13 -8.346 -9.177 -2.368 1.00 0.56 C ATOM 196 C LYS A 13 -9.025 -10.220 -1.487 1.00 0.66 C ATOM 197 O LYS A 13 -9.039 -11.407 -1.825 1.00 0.89 O ATOM 198 CB LYS A 13 -6.833 -9.315 -2.200 1.00 0.76 C ATOM 199 CG LYS A 13 -6.018 -8.601 -3.257 1.00 1.17 C ATOM 200 CD LYS A 13 -4.567 -9.043 -3.201 1.00 1.63 C ATOM 201 CE LYS A 13 -3.730 -8.368 -4.267 1.00 2.41 C ATOM 202 NZ LYS A 13 -2.341 -8.893 -4.281 1.00 3.26 N ATOM 0 H LYS A 13 -8.059 -7.155 -1.852 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.617 -9.358 -3.408 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.552 -8.929 -1.220 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.574 -10.374 -2.212 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.430 -8.810 -4.244 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.082 -7.523 -3.107 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.156 -8.815 -2.218 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.512 -10.124 -3.327 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -4.189 -8.523 -5.244 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -3.712 -7.293 -4.090 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -1.795 -8.410 -5.022 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -1.896 -8.723 -3.356 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -2.358 -9.915 -4.474 1.00 3.26 H new ATOM 216 N THR A 14 -9.553 -9.796 -0.350 1.00 0.76 N ATOM 217 CA THR A 14 -10.224 -10.716 0.550 1.00 1.06 C ATOM 218 C THR A 14 -11.634 -11.023 0.051 1.00 0.93 C ATOM 219 O THR A 14 -11.991 -12.188 -0.159 1.00 1.20 O ATOM 220 CB THR A 14 -10.280 -10.149 1.980 1.00 1.44 C ATOM 221 OG1 THR A 14 -10.775 -8.803 1.963 1.00 1.93 O ATOM 222 CG2 THR A 14 -8.907 -10.185 2.634 1.00 1.86 C ATOM 0 H THR A 14 -9.530 -8.827 -0.031 1.00 0.76 H new ATOM 0 HA THR A 14 -9.649 -11.642 0.571 1.00 1.06 H new ATOM 0 HB THR A 14 -10.958 -10.773 2.563 1.00 1.44 H new ATOM 0 HG1 THR A 14 -10.067 -8.198 1.657 1.00 1.93 H new ATOM 0 HG21 THR A 14 -8.974 -9.779 3.643 1.00 1.86 H new ATOM 0 HG22 THR A 14 -8.553 -11.215 2.680 1.00 1.86 H new ATOM 0 HG23 THR A 14 -8.209 -9.587 2.048 1.00 1.86 H new ATOM 230 N LEU A 15 -12.406 -9.971 -0.208 1.00 0.64 N ATOM 231 CA LEU A 15 -13.776 -10.115 -0.685 1.00 0.66 C ATOM 232 C LEU A 15 -14.059 -9.170 -1.849 1.00 0.49 C ATOM 233 O LEU A 15 -14.201 -7.964 -1.656 1.00 0.55 O ATOM 234 CB LEU A 15 -14.781 -9.836 0.445 1.00 0.92 C ATOM 235 CG LEU A 15 -15.406 -11.063 1.116 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.016 -11.966 0.068 1.00 1.80 C ATOM 237 CD2 LEU A 15 -14.387 -11.817 1.958 1.00 1.35 C ATOM 0 H LEU A 15 -12.102 -9.004 -0.094 1.00 0.64 H new ATOM 0 HA LEU A 15 -13.891 -11.144 -1.027 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -14.279 -9.246 1.211 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -15.585 -9.219 0.043 1.00 0.92 H new ATOM 0 HG LEU A 15 -16.192 -10.723 1.790 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -16.459 -12.837 0.551 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.787 -11.422 -0.477 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -15.242 -12.291 -0.627 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -14.864 -12.681 2.419 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -13.567 -12.151 1.323 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -13.999 -11.159 2.735 1.00 1.35 H new ATOM 249 N LYS A 16 -14.108 -9.715 -3.061 1.00 0.42 N ATOM 250 CA LYS A 16 -14.457 -8.924 -4.234 1.00 0.37 C ATOM 251 C LYS A 16 -15.871 -9.271 -4.678 1.00 0.43 C ATOM 252 O LYS A 16 -16.169 -10.424 -5.001 1.00 0.58 O ATOM 253 CB LYS A 16 -13.484 -9.156 -5.398 1.00 0.45 C ATOM 254 CG LYS A 16 -12.022 -8.914 -5.061 1.00 0.43 C ATOM 255 CD LYS A 16 -11.265 -10.210 -4.870 1.00 1.03 C ATOM 256 CE LYS A 16 -11.522 -11.196 -5.998 1.00 1.81 C ATOM 257 NZ LYS A 16 -10.781 -12.469 -5.801 1.00 2.49 N ATOM 0 H LYS A 16 -13.911 -10.697 -3.255 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.394 -7.872 -3.954 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.597 -10.182 -5.749 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.765 -8.503 -6.224 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.556 -8.336 -5.859 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.953 -8.316 -4.152 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -10.197 -10.000 -4.810 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.555 -10.662 -3.921 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -12.590 -11.404 -6.062 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -11.227 -10.747 -6.947 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -10.983 -13.114 -6.591 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -9.760 -12.274 -5.765 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -11.081 -12.911 -4.908 1.00 2.49 H new ATOM 271 N GLY A 17 -16.731 -8.272 -4.712 1.00 0.33 N ATOM 272 CA GLY A 17 -18.119 -8.490 -5.058 1.00 0.39 C ATOM 273 C GLY A 17 -18.908 -7.201 -5.006 1.00 0.26 C ATOM 274 O GLY A 17 -18.337 -6.131 -4.773 1.00 0.23 O ATOM 0 H GLY A 17 -16.492 -7.302 -4.504 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.184 -8.918 -6.058 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.557 -9.215 -4.372 1.00 0.39 H new ATOM 278 N GLU A 18 -20.218 -7.294 -5.183 1.00 0.28 N ATOM 279 CA GLU A 18 -21.072 -6.112 -5.176 1.00 0.23 C ATOM 280 C GLU A 18 -22.373 -6.375 -4.424 1.00 0.29 C ATOM 281 O GLU A 18 -22.726 -7.527 -4.154 1.00 0.49 O ATOM 282 CB GLU A 18 -21.389 -5.676 -6.612 1.00 0.46 C ATOM 283 CG GLU A 18 -20.161 -5.347 -7.446 1.00 0.70 C ATOM 284 CD GLU A 18 -20.493 -5.091 -8.902 1.00 1.17 C ATOM 285 OE1 GLU A 18 -20.908 -3.963 -9.231 1.00 1.69 O ATOM 286 OE2 GLU A 18 -20.329 -6.016 -9.727 1.00 1.69 O ATOM 0 H GLU A 18 -20.713 -8.173 -5.333 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.532 -5.315 -4.665 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -21.949 -6.470 -7.106 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.038 -4.801 -6.580 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -19.669 -4.468 -7.030 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.450 -6.171 -7.379 1.00 0.70 H new ATOM 293 N THR A 19 -23.079 -5.298 -4.087 1.00 0.22 N ATOM 294 CA THR A 19 -24.356 -5.400 -3.388 1.00 0.32 C ATOM 295 C THR A 19 -25.128 -4.074 -3.479 1.00 0.29 C ATOM 296 O THR A 19 -24.599 -3.073 -3.981 1.00 0.31 O ATOM 297 CB THR A 19 -24.146 -5.790 -1.906 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.397 -6.152 -1.310 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.517 -4.638 -1.117 1.00 0.45 C ATOM 0 H THR A 19 -22.786 -4.342 -4.288 1.00 0.22 H new ATOM 0 HA THR A 19 -24.941 -6.183 -3.871 1.00 0.32 H new ATOM 0 HB THR A 19 -23.467 -6.642 -1.876 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.253 -6.399 -0.373 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.381 -4.940 -0.079 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.550 -4.385 -1.551 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.172 -3.768 -1.159 1.00 0.45 H new ATOM 307 N THR A 20 -26.376 -4.077 -3.008 1.00 0.27 N ATOM 308 CA THR A 20 -27.227 -2.892 -3.025 1.00 0.24 C ATOM 309 C THR A 20 -28.042 -2.815 -1.734 1.00 0.25 C ATOM 310 O THR A 20 -28.278 -3.835 -1.086 1.00 0.31 O ATOM 311 CB THR A 20 -28.208 -2.910 -4.225 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.974 -4.119 -4.206 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.481 -2.800 -5.561 1.00 0.32 C ATOM 0 H THR A 20 -26.822 -4.901 -2.605 1.00 0.27 H new ATOM 0 HA THR A 20 -26.573 -2.025 -3.117 1.00 0.24 H new ATOM 0 HB THR A 20 -28.862 -2.044 -4.124 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.594 -4.125 -4.965 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.208 -2.817 -6.373 1.00 0.32 H new ATOM 0 HG22 THR A 20 -26.921 -1.866 -5.595 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.794 -3.639 -5.672 1.00 0.32 H new ATOM 321 N THR A 21 -28.466 -1.615 -1.358 1.00 0.23 N ATOM 322 CA THR A 21 -29.292 -1.446 -0.166 1.00 0.26 C ATOM 323 C THR A 21 -30.171 -0.209 -0.304 1.00 0.25 C ATOM 324 O THR A 21 -29.904 0.662 -1.137 1.00 0.26 O ATOM 325 CB THR A 21 -28.456 -1.339 1.137 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.299 -1.608 2.263 1.00 0.38 O ATOM 327 CG2 THR A 21 -27.847 0.059 1.301 1.00 0.28 C ATOM 0 H THR A 21 -28.255 -0.750 -1.855 1.00 0.23 H new ATOM 0 HA THR A 21 -29.909 -2.341 -0.087 1.00 0.26 H new ATOM 0 HB THR A 21 -27.646 -2.066 1.078 1.00 0.31 H new ATOM 0 HG1 THR A 21 -28.774 -1.543 3.088 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.268 0.098 2.224 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.195 0.273 0.454 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.645 0.801 1.341 1.00 0.28 H new ATOM 335 N GLU A 22 -31.262 -0.184 0.446 1.00 0.31 N ATOM 336 CA GLU A 22 -32.163 0.960 0.446 1.00 0.36 C ATOM 337 C GLU A 22 -31.809 1.894 1.598 1.00 0.36 C ATOM 338 O GLU A 22 -31.422 1.440 2.673 1.00 0.58 O ATOM 339 CB GLU A 22 -33.631 0.506 0.570 1.00 0.51 C ATOM 340 CG GLU A 22 -33.861 -0.565 1.620 1.00 1.16 C ATOM 341 CD GLU A 22 -35.332 -0.835 1.846 1.00 1.77 C ATOM 342 OE1 GLU A 22 -36.016 -1.238 0.883 1.00 2.26 O ATOM 343 OE2 GLU A 22 -35.807 -0.662 2.989 1.00 2.24 O ATOM 0 H GLU A 22 -31.546 -0.944 1.064 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.048 1.489 -0.500 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.249 1.372 0.808 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.967 0.130 -0.397 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.367 -1.486 1.311 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.401 -0.256 2.559 1.00 1.16 H new ATOM 350 N ALA A 23 -31.888 3.198 1.360 1.00 0.26 N ATOM 351 CA ALA A 23 -31.586 4.171 2.407 1.00 0.28 C ATOM 352 C ALA A 23 -32.532 5.370 2.309 1.00 0.31 C ATOM 353 O ALA A 23 -32.993 5.705 1.219 1.00 0.38 O ATOM 354 CB ALA A 23 -30.135 4.632 2.296 1.00 0.32 C ATOM 0 H ALA A 23 -32.155 3.604 0.463 1.00 0.26 H new ATOM 0 HA ALA A 23 -31.729 3.694 3.377 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -29.922 5.357 3.082 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.471 3.774 2.405 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.974 5.095 1.322 1.00 0.32 H new ATOM 360 N VAL A 24 -32.876 5.976 3.445 1.00 0.35 N ATOM 361 CA VAL A 24 -33.742 7.149 3.445 1.00 0.45 C ATOM 362 C VAL A 24 -32.928 8.428 3.619 1.00 0.49 C ATOM 363 O VAL A 24 -33.486 9.513 3.776 1.00 0.74 O ATOM 364 CB VAL A 24 -34.804 7.067 4.560 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.791 5.947 4.272 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.150 6.863 5.919 1.00 1.09 C ATOM 0 H VAL A 24 -32.569 5.675 4.370 1.00 0.35 H new ATOM 0 HA VAL A 24 -34.248 7.172 2.480 1.00 0.45 H new ATOM 0 HB VAL A 24 -35.346 8.012 4.583 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.534 5.903 5.069 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -36.289 6.137 3.321 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.259 4.997 4.219 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -34.920 6.808 6.689 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.578 5.935 5.912 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.483 7.699 6.131 1.00 1.09 H new ATOM 376 N ASP A 25 -31.607 8.283 3.586 1.00 0.39 N ATOM 377 CA ASP A 25 -30.681 9.397 3.736 1.00 0.45 C ATOM 378 C ASP A 25 -29.305 8.947 3.263 1.00 0.39 C ATOM 379 O ASP A 25 -29.021 7.748 3.232 1.00 0.35 O ATOM 380 CB ASP A 25 -30.605 9.859 5.197 1.00 0.54 C ATOM 381 CG ASP A 25 -29.851 11.168 5.362 1.00 1.25 C ATOM 382 OD1 ASP A 25 -30.499 12.229 5.477 1.00 1.51 O ATOM 383 OD2 ASP A 25 -28.603 11.142 5.374 1.00 2.13 O ATOM 0 H ASP A 25 -31.147 7.382 3.453 1.00 0.39 H new ATOM 0 HA ASP A 25 -31.033 10.238 3.139 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -31.615 9.975 5.590 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -30.118 9.087 5.793 1.00 0.54 H new ATOM 388 N ALA A 26 -28.448 9.893 2.921 1.00 0.44 N ATOM 389 CA ALA A 26 -27.112 9.576 2.432 1.00 0.46 C ATOM 390 C ALA A 26 -26.209 9.078 3.557 1.00 0.38 C ATOM 391 O ALA A 26 -25.431 8.140 3.370 1.00 0.37 O ATOM 392 CB ALA A 26 -26.496 10.799 1.760 1.00 0.59 C ATOM 0 H ALA A 26 -28.652 10.891 2.972 1.00 0.44 H new ATOM 0 HA ALA A 26 -27.203 8.774 1.700 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -25.498 10.551 1.398 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -27.120 11.106 0.921 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -26.429 11.615 2.480 1.00 0.59 H new ATOM 398 N ALA A 27 -26.367 9.655 4.741 1.00 0.39 N ATOM 399 CA ALA A 27 -25.532 9.290 5.880 1.00 0.38 C ATOM 400 C ALA A 27 -25.832 7.870 6.345 1.00 0.31 C ATOM 401 O ALA A 27 -24.939 7.144 6.787 1.00 0.32 O ATOM 402 CB ALA A 27 -25.735 10.273 7.023 1.00 0.48 C ATOM 0 H ALA A 27 -27.062 10.375 4.938 1.00 0.39 H new ATOM 0 HA ALA A 27 -24.490 9.331 5.562 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -25.105 9.987 7.865 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -25.465 11.276 6.692 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.780 10.261 7.331 1.00 0.48 H new ATOM 408 N THR A 28 -27.085 7.474 6.207 1.00 0.31 N ATOM 409 CA THR A 28 -27.528 6.153 6.626 1.00 0.30 C ATOM 410 C THR A 28 -26.944 5.064 5.726 1.00 0.24 C ATOM 411 O THR A 28 -26.642 3.963 6.185 1.00 0.28 O ATOM 412 CB THR A 28 -29.066 6.070 6.598 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.615 7.314 7.061 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.569 4.924 7.474 1.00 0.45 C ATOM 0 H THR A 28 -27.821 8.054 5.804 1.00 0.31 H new ATOM 0 HA THR A 28 -27.173 5.992 7.644 1.00 0.30 H new ATOM 0 HB THR A 28 -29.387 5.880 5.574 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.594 7.266 7.043 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.658 4.888 7.436 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.162 3.981 7.109 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.247 5.084 8.503 1.00 0.45 H new ATOM 422 N ALA A 29 -26.688 5.414 4.469 1.00 0.21 N ATOM 423 CA ALA A 29 -26.184 4.454 3.494 1.00 0.22 C ATOM 424 C ALA A 29 -24.754 4.056 3.822 1.00 0.21 C ATOM 425 O ALA A 29 -24.399 2.877 3.776 1.00 0.25 O ATOM 426 CB ALA A 29 -26.269 5.026 2.089 1.00 0.28 C ATOM 0 H ALA A 29 -26.822 6.356 4.102 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.807 3.561 3.541 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.888 4.295 1.375 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.308 5.257 1.853 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.672 5.936 2.030 1.00 0.28 H new ATOM 432 N GLU A 30 -23.955 5.046 4.190 1.00 0.19 N ATOM 433 CA GLU A 30 -22.570 4.808 4.549 1.00 0.20 C ATOM 434 C GLU A 30 -22.503 3.973 5.824 1.00 0.20 C ATOM 435 O GLU A 30 -21.935 2.886 5.829 1.00 0.23 O ATOM 436 CB GLU A 30 -21.839 6.137 4.764 1.00 0.24 C ATOM 437 CG GLU A 30 -20.376 6.122 4.347 1.00 0.35 C ATOM 438 CD GLU A 30 -19.625 7.356 4.807 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.837 8.441 4.215 1.00 1.14 O ATOM 440 OE2 GLU A 30 -18.818 7.253 5.754 1.00 1.29 O ATOM 0 H GLU A 30 -24.245 6.022 4.247 1.00 0.19 H new ATOM 0 HA GLU A 30 -22.086 4.267 3.736 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.356 6.917 4.205 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -21.901 6.406 5.818 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.894 5.234 4.757 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -20.312 6.046 3.261 1.00 0.35 H new ATOM 447 N LYS A 31 -23.158 4.459 6.878 1.00 0.20 N ATOM 448 CA LYS A 31 -23.147 3.797 8.182 1.00 0.24 C ATOM 449 C LYS A 31 -23.520 2.309 8.104 1.00 0.22 C ATOM 450 O LYS A 31 -22.867 1.470 8.730 1.00 0.26 O ATOM 451 CB LYS A 31 -24.073 4.523 9.162 1.00 0.29 C ATOM 452 CG LYS A 31 -23.553 5.891 9.599 1.00 0.39 C ATOM 453 CD LYS A 31 -22.121 5.817 10.127 1.00 1.10 C ATOM 454 CE LYS A 31 -21.980 4.815 11.265 1.00 1.86 C ATOM 455 NZ LYS A 31 -22.720 5.236 12.484 1.00 2.42 N ATOM 0 H LYS A 31 -23.708 5.318 6.853 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.120 3.847 8.545 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.052 4.647 8.699 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.215 3.899 10.044 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.593 6.580 8.756 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.204 6.296 10.373 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.450 5.539 9.315 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.811 6.803 10.473 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -22.348 3.843 10.937 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -20.925 4.691 11.508 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -22.594 4.523 13.230 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -22.353 6.151 12.814 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -23.732 5.329 12.261 1.00 2.42 H new ATOM 469 N VAL A 32 -24.543 1.979 7.322 1.00 0.20 N ATOM 470 CA VAL A 32 -24.990 0.595 7.199 1.00 0.22 C ATOM 471 C VAL A 32 -23.961 -0.255 6.459 1.00 0.18 C ATOM 472 O VAL A 32 -23.520 -1.292 6.963 1.00 0.20 O ATOM 473 CB VAL A 32 -26.351 0.499 6.474 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.744 -0.949 6.240 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.435 1.203 7.271 1.00 0.29 C ATOM 0 H VAL A 32 -25.076 2.647 6.766 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.106 0.211 8.213 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.245 0.991 5.507 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.706 -0.987 5.728 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -25.987 -1.437 5.626 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.822 -1.464 7.197 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.385 1.123 6.743 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.526 0.737 8.252 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.174 2.254 7.391 1.00 0.29 H new ATOM 485 N PHE A 33 -23.539 0.213 5.292 1.00 0.16 N ATOM 486 CA PHE A 33 -22.574 -0.527 4.485 1.00 0.15 C ATOM 487 C PHE A 33 -21.205 -0.609 5.162 1.00 0.15 C ATOM 488 O PHE A 33 -20.427 -1.503 4.858 1.00 0.17 O ATOM 489 CB PHE A 33 -22.415 0.087 3.091 1.00 0.17 C ATOM 490 CG PHE A 33 -23.370 -0.434 2.055 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.876 -1.718 2.153 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.781 0.366 1.002 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.774 -2.198 1.219 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.674 -0.107 0.064 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.093 -1.401 0.107 1.00 0.29 C ATOM 0 H PHE A 33 -23.846 1.096 4.884 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.973 -1.536 4.384 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.541 1.167 3.170 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.396 -0.091 2.746 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.565 -2.353 2.970 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.398 1.372 0.915 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.224 -3.172 1.342 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.042 0.552 -0.708 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.668 -1.813 -0.709 1.00 0.29 H new ATOM 505 N LYS A 34 -20.908 0.309 6.080 1.00 0.16 N ATOM 506 CA LYS A 34 -19.630 0.290 6.770 1.00 0.20 C ATOM 507 C LYS A 34 -19.590 -0.858 7.765 1.00 0.20 C ATOM 508 O LYS A 34 -18.577 -1.532 7.895 1.00 0.22 O ATOM 509 CB LYS A 34 -19.370 1.628 7.467 1.00 0.29 C ATOM 510 CG LYS A 34 -19.075 2.777 6.505 1.00 0.43 C ATOM 511 CD LYS A 34 -18.362 3.918 7.205 1.00 0.38 C ATOM 512 CE LYS A 34 -16.930 3.545 7.555 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.092 3.322 6.350 1.00 1.09 N ATOM 0 H LYS A 34 -21.532 1.067 6.358 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.839 0.138 6.036 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.239 1.887 8.072 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.529 1.514 8.150 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.461 2.414 5.680 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -20.008 3.140 6.073 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.364 4.799 6.563 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.903 4.185 8.113 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.489 4.337 8.159 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.932 2.642 8.165 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.617 2.400 6.423 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.693 3.335 5.502 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -15.378 4.075 6.280 1.00 1.09 H new ATOM 527 N GLN A 35 -20.703 -1.078 8.447 1.00 0.21 N ATOM 528 CA GLN A 35 -20.828 -2.204 9.363 1.00 0.24 C ATOM 529 C GLN A 35 -20.891 -3.495 8.552 1.00 0.21 C ATOM 530 O GLN A 35 -20.361 -4.532 8.953 1.00 0.24 O ATOM 531 CB GLN A 35 -22.085 -2.051 10.231 1.00 0.32 C ATOM 532 CG GLN A 35 -22.216 -3.102 11.322 1.00 0.43 C ATOM 533 CD GLN A 35 -21.210 -2.930 12.444 1.00 1.28 C ATOM 534 OE1 GLN A 35 -20.092 -2.454 12.238 1.00 2.20 O ATOM 535 NE2 GLN A 35 -21.611 -3.300 13.647 1.00 1.82 N ATOM 0 H GLN A 35 -21.535 -0.491 8.384 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.964 -2.234 10.027 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.078 -1.063 10.692 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.965 -2.097 9.589 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.223 -3.062 11.737 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.092 -4.091 10.881 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -22.545 -3.690 13.776 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -20.987 -3.196 14.447 1.00 1.82 H new ATOM 544 N TYR A 36 -21.473 -3.381 7.362 1.00 0.19 N ATOM 545 CA TYR A 36 -21.589 -4.488 6.424 1.00 0.18 C ATOM 546 C TYR A 36 -20.206 -4.908 5.932 1.00 0.17 C ATOM 547 O TYR A 36 -19.844 -6.087 5.961 1.00 0.19 O ATOM 548 CB TYR A 36 -22.466 -4.042 5.248 1.00 0.19 C ATOM 549 CG TYR A 36 -22.333 -4.891 4.010 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.813 -6.190 3.960 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.726 -4.368 2.885 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.682 -6.947 2.814 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.590 -5.113 1.733 1.00 1.12 C ATOM 554 CZ TYR A 36 -22.075 -6.405 1.701 1.00 0.34 C ATOM 555 OH TYR A 36 -21.944 -7.161 0.558 1.00 0.42 O ATOM 0 H TYR A 36 -21.880 -2.510 7.021 1.00 0.19 H new ATOM 0 HA TYR A 36 -22.046 -5.346 6.916 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.508 -4.048 5.566 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -22.216 -3.012 4.995 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.295 -6.615 4.828 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -21.351 -3.356 2.908 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -23.054 -7.961 2.789 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -21.109 -4.690 0.864 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.714 -6.578 -0.195 1.00 0.42 H new ATOM 565 N ALA A 37 -19.447 -3.926 5.465 1.00 0.15 N ATOM 566 CA ALA A 37 -18.095 -4.148 4.989 1.00 0.16 C ATOM 567 C ALA A 37 -17.189 -4.548 6.151 1.00 0.18 C ATOM 568 O ALA A 37 -16.254 -5.333 5.984 1.00 0.22 O ATOM 569 CB ALA A 37 -17.571 -2.890 4.304 1.00 0.17 C ATOM 0 H ALA A 37 -19.754 -2.955 5.407 1.00 0.15 H new ATOM 0 HA ALA A 37 -18.100 -4.961 4.262 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.555 -3.065 3.949 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -18.213 -2.642 3.459 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.570 -2.063 5.014 1.00 0.17 H new ATOM 575 N ASN A 38 -17.527 -4.048 7.340 1.00 0.20 N ATOM 576 CA ASN A 38 -16.761 -4.328 8.563 1.00 0.26 C ATOM 577 C ASN A 38 -16.786 -5.819 8.885 1.00 0.28 C ATOM 578 O ASN A 38 -15.772 -6.385 9.287 1.00 0.36 O ATOM 579 CB ASN A 38 -17.322 -3.526 9.759 1.00 0.31 C ATOM 580 CG ASN A 38 -16.495 -3.676 11.043 1.00 0.44 C ATOM 581 OD1 ASN A 38 -16.598 -4.688 11.738 1.00 1.03 O ATOM 582 ND2 ASN A 38 -15.721 -2.650 11.404 1.00 1.39 N ATOM 0 H ASN A 38 -18.334 -3.441 7.486 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.730 -4.021 8.388 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.369 -2.471 9.488 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.344 -3.850 9.955 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -15.194 -2.691 12.277 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -15.656 -1.825 10.807 1.00 1.39 H new ATOM 589 N ASP A 39 -17.941 -6.451 8.675 1.00 0.30 N ATOM 590 CA ASP A 39 -18.089 -7.889 8.923 1.00 0.38 C ATOM 591 C ASP A 39 -17.148 -8.705 8.054 1.00 0.33 C ATOM 592 O ASP A 39 -16.750 -9.810 8.421 1.00 0.41 O ATOM 593 CB ASP A 39 -19.525 -8.347 8.662 1.00 0.53 C ATOM 594 CG ASP A 39 -20.447 -8.107 9.838 1.00 1.14 C ATOM 595 OD1 ASP A 39 -20.121 -8.559 10.956 1.00 1.78 O ATOM 596 OD2 ASP A 39 -21.525 -7.507 9.640 1.00 1.77 O ATOM 0 H ASP A 39 -18.787 -5.993 8.335 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.838 -8.054 9.971 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -19.915 -7.823 7.789 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.523 -9.410 8.420 1.00 0.53 H new ATOM 601 N ASN A 40 -16.779 -8.154 6.911 1.00 0.28 N ATOM 602 CA ASN A 40 -15.912 -8.849 5.986 1.00 0.34 C ATOM 603 C ASN A 40 -14.497 -8.303 6.077 1.00 0.32 C ATOM 604 O ASN A 40 -13.623 -8.683 5.303 1.00 0.46 O ATOM 605 CB ASN A 40 -16.452 -8.728 4.559 1.00 0.42 C ATOM 606 CG ASN A 40 -17.693 -9.581 4.329 1.00 0.92 C ATOM 607 OD1 ASN A 40 -17.590 -10.777 4.049 1.00 1.78 O ATOM 608 ND2 ASN A 40 -18.874 -8.975 4.422 1.00 0.78 N ATOM 0 H ASN A 40 -17.069 -7.225 6.604 1.00 0.28 H new ATOM 0 HA ASN A 40 -15.888 -9.905 6.253 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -16.689 -7.685 4.351 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -15.676 -9.025 3.854 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -19.732 -9.502 4.259 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -18.921 -7.983 4.656 1.00 0.78 H new ATOM 615 N GLY A 41 -14.284 -7.417 7.045 1.00 0.25 N ATOM 616 CA GLY A 41 -12.974 -6.828 7.259 1.00 0.33 C ATOM 617 C GLY A 41 -12.518 -5.958 6.104 1.00 0.28 C ATOM 618 O GLY A 41 -11.326 -5.679 5.974 1.00 0.37 O ATOM 0 H GLY A 41 -15.004 -7.094 7.691 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.995 -6.230 8.170 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.246 -7.624 7.417 1.00 0.33 H new ATOM 622 N VAL A 42 -13.461 -5.504 5.285 1.00 0.23 N ATOM 623 CA VAL A 42 -13.137 -4.681 4.146 1.00 0.26 C ATOM 624 C VAL A 42 -13.446 -3.225 4.419 1.00 0.36 C ATOM 625 O VAL A 42 -14.601 -2.820 4.496 1.00 0.46 O ATOM 626 CB VAL A 42 -13.884 -5.133 2.879 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.533 -4.218 1.717 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.524 -6.571 2.558 1.00 0.29 C ATOM 0 H VAL A 42 -14.456 -5.698 5.397 1.00 0.23 H new ATOM 0 HA VAL A 42 -12.067 -4.795 3.974 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.959 -5.074 3.051 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -14.065 -4.544 0.823 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.822 -3.195 1.959 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.459 -4.258 1.534 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.055 -6.887 1.660 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.450 -6.648 2.390 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -13.808 -7.212 3.392 1.00 0.29 H new ATOM 638 N ASP A 43 -12.404 -2.460 4.630 1.00 0.42 N ATOM 639 CA ASP A 43 -12.538 -1.029 4.822 1.00 0.55 C ATOM 640 C ASP A 43 -11.349 -0.346 4.165 1.00 0.47 C ATOM 641 O ASP A 43 -10.226 -0.850 4.228 1.00 0.68 O ATOM 642 CB ASP A 43 -12.634 -0.661 6.308 1.00 0.80 C ATOM 643 CG ASP A 43 -13.156 0.752 6.522 1.00 1.29 C ATOM 644 OD1 ASP A 43 -14.025 1.206 5.743 1.00 1.86 O ATOM 645 OD2 ASP A 43 -12.720 1.409 7.491 1.00 1.80 O ATOM 0 H ASP A 43 -11.445 -2.803 4.674 1.00 0.42 H new ATOM 0 HA ASP A 43 -13.465 -0.689 4.360 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -13.291 -1.369 6.813 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -11.650 -0.756 6.767 1.00 0.80 H new ATOM 650 N GLY A 44 -11.596 0.784 3.524 1.00 0.43 N ATOM 651 CA GLY A 44 -10.570 1.447 2.756 1.00 0.37 C ATOM 652 C GLY A 44 -11.020 2.821 2.331 1.00 0.34 C ATOM 653 O GLY A 44 -11.995 3.340 2.872 1.00 0.38 O ATOM 0 H GLY A 44 -12.500 1.257 3.524 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.659 1.526 3.350 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.326 0.851 1.876 1.00 0.37 H new ATOM 657 N GLU A 45 -10.262 3.449 1.446 1.00 0.34 N ATOM 658 CA GLU A 45 -10.627 4.764 0.922 1.00 0.35 C ATOM 659 C GLU A 45 -12.028 4.732 0.302 1.00 0.29 C ATOM 660 O GLU A 45 -12.257 4.079 -0.721 1.00 0.43 O ATOM 661 CB GLU A 45 -9.591 5.223 -0.111 1.00 0.45 C ATOM 662 CG GLU A 45 -8.296 5.731 0.511 1.00 1.27 C ATOM 663 CD GLU A 45 -7.292 6.211 -0.521 1.00 2.01 C ATOM 664 OE1 GLU A 45 -6.125 5.771 -0.470 1.00 2.79 O ATOM 665 OE2 GLU A 45 -7.678 7.009 -1.406 1.00 2.57 O ATOM 0 H GLU A 45 -9.390 3.073 1.073 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.640 5.476 1.747 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.363 4.392 -0.779 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.025 6.014 -0.723 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.524 6.548 1.196 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -7.847 4.934 1.104 1.00 1.27 H new ATOM 672 N TRP A 46 -12.963 5.414 0.955 1.00 0.22 N ATOM 673 CA TRP A 46 -14.356 5.453 0.491 1.00 0.24 C ATOM 674 C TRP A 46 -14.542 6.492 -0.610 1.00 0.28 C ATOM 675 O TRP A 46 -14.521 7.699 -0.360 1.00 0.41 O ATOM 676 CB TRP A 46 -15.359 5.710 1.647 1.00 0.31 C ATOM 677 CG TRP A 46 -15.735 4.454 2.383 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.891 3.647 3.094 1.00 0.32 C ATOM 679 CD2 TRP A 46 -17.048 3.864 2.505 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.570 2.573 3.597 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.892 2.686 3.262 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.339 4.194 2.043 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.953 1.851 3.566 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.395 3.360 2.363 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.194 2.200 3.116 1.00 0.35 C ATOM 0 H TRP A 46 -12.788 5.948 1.806 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.573 4.466 0.083 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.923 6.420 2.349 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.260 6.173 1.244 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.837 3.832 3.238 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.158 1.811 4.135 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.500 5.082 1.450 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.804 0.950 4.142 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.390 3.609 2.026 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -20.038 1.566 3.347 1.00 0.35 H new ATOM 696 N THR A 47 -14.686 6.009 -1.833 1.00 0.29 N ATOM 697 CA THR A 47 -14.907 6.871 -2.982 1.00 0.35 C ATOM 698 C THR A 47 -16.364 6.769 -3.427 1.00 0.31 C ATOM 699 O THR A 47 -17.037 5.784 -3.118 1.00 0.28 O ATOM 700 CB THR A 47 -13.967 6.498 -4.146 1.00 0.43 C ATOM 701 OG1 THR A 47 -13.224 5.313 -3.819 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.002 7.635 -4.449 1.00 0.63 C ATOM 0 H THR A 47 -14.653 5.014 -2.057 1.00 0.29 H new ATOM 0 HA THR A 47 -14.688 7.898 -2.691 1.00 0.35 H new ATOM 0 HB THR A 47 -14.578 6.313 -5.029 1.00 0.43 H new ATOM 0 HG1 THR A 47 -12.631 5.083 -4.564 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.349 7.348 -5.274 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.565 8.526 -4.725 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.399 7.846 -3.566 1.00 0.63 H new ATOM 710 N TYR A 48 -16.866 7.782 -4.122 1.00 0.38 N ATOM 711 CA TYR A 48 -18.260 7.794 -4.536 1.00 0.37 C ATOM 712 C TYR A 48 -18.431 8.495 -5.883 1.00 0.42 C ATOM 713 O TYR A 48 -17.689 9.428 -6.200 1.00 0.51 O ATOM 714 CB TYR A 48 -19.099 8.491 -3.453 1.00 0.41 C ATOM 715 CG TYR A 48 -20.551 8.749 -3.822 1.00 0.44 C ATOM 716 CD1 TYR A 48 -20.955 10.012 -4.250 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.522 7.750 -3.734 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.271 10.272 -4.575 1.00 1.18 C ATOM 719 CE2 TYR A 48 -22.841 8.007 -4.064 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.207 9.269 -4.482 1.00 0.61 C ATOM 721 OH TYR A 48 -24.517 9.533 -4.806 1.00 0.70 O ATOM 0 H TYR A 48 -16.330 8.601 -4.409 1.00 0.38 H new ATOM 0 HA TYR A 48 -18.602 6.766 -4.659 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.074 7.882 -2.549 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -18.628 9.443 -3.209 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.224 10.803 -4.329 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.239 6.761 -3.403 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -22.564 11.259 -4.901 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -23.580 7.223 -3.994 1.00 1.18 H new ATOM 0 HH TYR A 48 -24.550 10.235 -5.489 1.00 0.70 H new ATOM 731 N ASP A 49 -19.399 8.031 -6.674 1.00 0.42 N ATOM 732 CA ASP A 49 -19.716 8.670 -7.961 1.00 0.51 C ATOM 733 C ASP A 49 -21.156 9.172 -7.921 1.00 0.53 C ATOM 734 O ASP A 49 -22.035 8.496 -7.383 1.00 0.55 O ATOM 735 CB ASP A 49 -19.527 7.723 -9.168 1.00 0.57 C ATOM 736 CG ASP A 49 -19.791 8.436 -10.478 1.00 1.22 C ATOM 737 OD1 ASP A 49 -18.881 9.113 -10.996 1.00 2.07 O ATOM 738 OD2 ASP A 49 -20.925 8.330 -10.985 1.00 1.52 O ATOM 0 H ASP A 49 -19.977 7.220 -6.452 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.018 9.496 -8.099 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -18.511 7.327 -9.166 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.201 6.872 -9.073 1.00 0.57 H new ATOM 743 N ASP A 50 -21.402 10.330 -8.520 1.00 0.68 N ATOM 744 CA ASP A 50 -22.729 10.958 -8.456 1.00 0.76 C ATOM 745 C ASP A 50 -23.705 10.310 -9.428 1.00 0.73 C ATOM 746 O ASP A 50 -24.874 10.119 -9.105 1.00 0.84 O ATOM 747 CB ASP A 50 -22.627 12.468 -8.763 1.00 1.00 C ATOM 748 CG ASP A 50 -23.981 13.159 -8.813 1.00 1.56 C ATOM 749 OD1 ASP A 50 -24.623 13.142 -9.882 1.00 2.28 O ATOM 750 OD2 ASP A 50 -24.419 13.697 -7.771 1.00 2.15 O ATOM 0 H ASP A 50 -20.710 10.856 -9.054 1.00 0.68 H new ATOM 0 HA ASP A 50 -23.106 10.815 -7.443 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -22.009 12.946 -8.003 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -22.120 12.605 -9.718 1.00 1.00 H new ATOM 755 N ALA A 51 -23.213 9.916 -10.591 1.00 0.70 N ATOM 756 CA ALA A 51 -24.076 9.364 -11.626 1.00 0.78 C ATOM 757 C ALA A 51 -24.530 7.939 -11.313 1.00 0.75 C ATOM 758 O ALA A 51 -25.592 7.510 -11.769 1.00 0.91 O ATOM 759 CB ALA A 51 -23.376 9.402 -12.974 1.00 0.91 C ATOM 0 H ALA A 51 -22.226 9.967 -10.843 1.00 0.70 H new ATOM 0 HA ALA A 51 -24.969 9.988 -11.660 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.034 8.986 -13.737 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.132 10.433 -13.228 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.460 8.814 -12.925 1.00 0.91 H new ATOM 765 N THR A 52 -23.741 7.211 -10.541 1.00 0.63 N ATOM 766 CA THR A 52 -24.054 5.818 -10.258 1.00 0.65 C ATOM 767 C THR A 52 -24.494 5.562 -8.809 1.00 0.55 C ATOM 768 O THR A 52 -25.025 4.491 -8.515 1.00 0.62 O ATOM 769 CB THR A 52 -22.836 4.936 -10.574 1.00 0.74 C ATOM 770 OG1 THR A 52 -21.676 5.486 -9.935 1.00 1.06 O ATOM 771 CG2 THR A 52 -22.596 4.843 -12.076 1.00 1.19 C ATOM 0 H THR A 52 -22.887 7.556 -10.102 1.00 0.63 H new ATOM 0 HA THR A 52 -24.901 5.564 -10.896 1.00 0.65 H new ATOM 0 HB THR A 52 -23.031 3.931 -10.199 1.00 0.74 H new ATOM 0 HG1 THR A 52 -21.003 5.708 -10.612 1.00 1.06 H new ATOM 0 HG21 THR A 52 -21.728 4.212 -12.267 1.00 1.19 H new ATOM 0 HG22 THR A 52 -23.472 4.410 -12.558 1.00 1.19 H new ATOM 0 HG23 THR A 52 -22.416 5.840 -12.478 1.00 1.19 H new ATOM 779 N LYS A 53 -24.247 6.520 -7.904 1.00 0.47 N ATOM 780 CA LYS A 53 -24.577 6.339 -6.468 1.00 0.46 C ATOM 781 C LYS A 53 -23.815 5.140 -5.909 1.00 0.39 C ATOM 782 O LYS A 53 -24.200 4.534 -4.904 1.00 0.49 O ATOM 783 CB LYS A 53 -26.088 6.149 -6.247 1.00 0.59 C ATOM 784 CG LYS A 53 -26.895 7.445 -6.271 1.00 0.81 C ATOM 785 CD LYS A 53 -26.887 8.109 -7.639 1.00 0.87 C ATOM 786 CE LYS A 53 -27.592 9.453 -7.603 1.00 1.57 C ATOM 787 NZ LYS A 53 -27.612 10.101 -8.939 1.00 2.08 N ATOM 0 H LYS A 53 -23.825 7.421 -8.129 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.277 7.245 -5.941 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -26.474 5.480 -7.016 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.244 5.656 -5.288 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -27.924 7.234 -5.979 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -26.489 8.136 -5.533 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -25.859 8.244 -7.974 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -27.376 7.459 -8.364 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -28.614 9.318 -7.249 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -27.091 10.107 -6.889 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -28.160 10.984 -8.889 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -26.638 10.314 -9.236 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -28.052 9.459 -9.629 1.00 2.08 H new ATOM 801 N THR A 54 -22.710 4.835 -6.562 1.00 0.34 N ATOM 802 CA THR A 54 -21.870 3.709 -6.199 1.00 0.31 C ATOM 803 C THR A 54 -20.805 4.095 -5.171 1.00 0.28 C ATOM 804 O THR A 54 -19.978 4.977 -5.420 1.00 0.35 O ATOM 805 CB THR A 54 -21.168 3.111 -7.445 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.154 2.788 -8.436 1.00 0.51 O ATOM 807 CG2 THR A 54 -20.393 1.841 -7.091 1.00 0.41 C ATOM 0 H THR A 54 -22.368 5.364 -7.364 1.00 0.34 H new ATOM 0 HA THR A 54 -22.531 2.964 -5.756 1.00 0.31 H new ATOM 0 HB THR A 54 -20.467 3.853 -7.827 1.00 0.38 H new ATOM 0 HG1 THR A 54 -21.713 2.411 -9.226 1.00 0.51 H new ATOM 0 HG21 THR A 54 -19.912 1.447 -7.986 1.00 0.41 H new ATOM 0 HG22 THR A 54 -19.634 2.074 -6.344 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.080 1.096 -6.690 1.00 0.41 H new ATOM 815 N TYR A 55 -20.915 3.517 -3.983 1.00 0.21 N ATOM 816 CA TYR A 55 -19.879 3.641 -2.967 1.00 0.21 C ATOM 817 C TYR A 55 -18.809 2.591 -3.249 1.00 0.21 C ATOM 818 O TYR A 55 -19.109 1.397 -3.317 1.00 0.24 O ATOM 819 CB TYR A 55 -20.437 3.432 -1.534 1.00 0.24 C ATOM 820 CG TYR A 55 -21.421 4.485 -1.067 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.785 4.216 -0.999 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.987 5.761 -0.715 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.683 5.185 -0.589 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.881 6.728 -0.304 1.00 1.12 C ATOM 825 CZ TYR A 55 -23.233 6.400 -0.173 1.00 0.56 C ATOM 826 OH TYR A 55 -24.114 7.405 0.166 1.00 0.70 O ATOM 0 H TYR A 55 -21.717 2.954 -3.698 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.469 4.650 -3.012 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -20.923 2.457 -1.489 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.600 3.404 -0.836 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.148 3.236 -1.271 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.934 5.997 -0.765 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.743 4.977 -0.599 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -21.539 7.729 -0.086 1.00 1.12 H new ATOM 0 HH TYR A 55 -24.869 7.402 -0.458 1.00 0.70 H new ATOM 836 N THR A 56 -17.584 3.028 -3.463 1.00 0.24 N ATOM 837 CA THR A 56 -16.503 2.107 -3.752 1.00 0.29 C ATOM 838 C THR A 56 -15.516 2.072 -2.590 1.00 0.25 C ATOM 839 O THR A 56 -14.944 3.100 -2.214 1.00 0.28 O ATOM 840 CB THR A 56 -15.770 2.486 -5.064 1.00 0.38 C ATOM 841 OG1 THR A 56 -16.728 2.687 -6.117 1.00 0.96 O ATOM 842 CG2 THR A 56 -14.790 1.389 -5.474 1.00 0.74 C ATOM 0 H THR A 56 -17.313 4.011 -3.442 1.00 0.24 H new ATOM 0 HA THR A 56 -16.936 1.116 -3.885 1.00 0.29 H new ATOM 0 HB THR A 56 -15.213 3.407 -4.891 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.260 2.928 -6.944 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.287 1.677 -6.397 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.050 1.249 -4.686 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.332 0.457 -5.632 1.00 0.74 H new ATOM 850 N VAL A 57 -15.371 0.898 -1.978 1.00 0.24 N ATOM 851 CA VAL A 57 -14.432 0.729 -0.876 1.00 0.23 C ATOM 852 C VAL A 57 -13.275 -0.144 -1.347 1.00 0.24 C ATOM 853 O VAL A 57 -13.463 -1.292 -1.756 1.00 0.30 O ATOM 854 CB VAL A 57 -15.087 0.154 0.430 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.634 -1.260 0.258 1.00 0.28 C ATOM 856 CG2 VAL A 57 -14.085 0.188 1.570 1.00 0.27 C ATOM 0 H VAL A 57 -15.890 0.055 -2.226 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.069 1.718 -0.596 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.940 0.793 0.660 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -16.073 -1.597 1.197 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.397 -1.263 -0.520 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.824 -1.932 -0.026 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.547 -0.212 2.472 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.216 -0.416 1.309 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.772 1.217 1.749 1.00 0.27 H new ATOM 866 N THR A 58 -12.105 0.460 -1.426 1.00 0.26 N ATOM 867 CA THR A 58 -10.933 -0.221 -1.936 1.00 0.30 C ATOM 868 C THR A 58 -9.920 -0.494 -0.826 1.00 0.32 C ATOM 869 O THR A 58 -9.624 0.386 -0.012 1.00 0.36 O ATOM 870 CB THR A 58 -10.278 0.627 -3.042 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.296 1.140 -3.910 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.297 -0.199 -3.860 1.00 0.52 C ATOM 0 H THR A 58 -11.942 1.426 -1.142 1.00 0.26 H new ATOM 0 HA THR A 58 -11.251 -1.179 -2.346 1.00 0.30 H new ATOM 0 HB THR A 58 -9.733 1.444 -2.570 1.00 0.40 H new ATOM 0 HG1 THR A 58 -10.883 1.682 -4.614 1.00 0.41 H new ATOM 0 HG21 THR A 58 -8.851 0.427 -4.633 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.513 -0.584 -3.208 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.823 -1.032 -4.326 1.00 0.52 H new ATOM 880 N GLU A 59 -9.445 -1.736 -0.762 1.00 0.35 N ATOM 881 CA GLU A 59 -8.423 -2.112 0.219 1.00 0.42 C ATOM 882 C GLU A 59 -7.071 -1.528 -0.201 1.00 0.53 C ATOM 883 O GLU A 59 -6.836 -1.286 -1.387 1.00 0.75 O ATOM 884 CB GLU A 59 -8.292 -3.650 0.389 1.00 0.44 C ATOM 885 CG GLU A 59 -9.494 -4.357 1.025 1.00 0.78 C ATOM 886 CD GLU A 59 -9.138 -5.739 1.563 1.00 1.79 C ATOM 887 OE1 GLU A 59 -9.361 -6.750 0.855 1.00 2.34 O ATOM 888 OE2 GLU A 59 -8.627 -5.822 2.699 1.00 2.56 O ATOM 0 H GLU A 59 -9.747 -2.496 -1.372 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.734 -1.705 1.181 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -8.113 -4.091 -0.592 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -7.411 -3.855 0.997 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -9.885 -3.744 1.837 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -10.289 -4.452 0.286 1.00 0.78 H new ATOM 895 N GLY A 60 -6.192 -1.286 0.767 1.00 0.79 N ATOM 896 CA GLY A 60 -4.897 -0.712 0.458 1.00 0.91 C ATOM 897 C GLY A 60 -3.841 -1.157 1.444 1.00 1.48 C ATOM 898 O GLY A 60 -4.061 -2.106 2.200 1.00 2.32 O ATOM 0 H GLY A 60 -6.353 -1.477 1.756 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -4.600 -1.003 -0.550 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -4.969 0.376 0.467 1.00 0.91 H new ATOM 902 N SER A 61 -2.709 -0.456 1.452 1.00 1.79 N ATOM 903 CA SER A 61 -1.600 -0.766 2.353 1.00 2.75 C ATOM 904 C SER A 61 -1.041 -2.164 2.061 1.00 2.84 C ATOM 905 O SER A 61 -1.271 -2.720 0.986 1.00 3.18 O ATOM 906 CB SER A 61 -2.056 -0.660 3.814 1.00 3.69 C ATOM 907 OG SER A 61 -2.634 0.607 4.080 1.00 4.41 O ATOM 0 H SER A 61 -2.535 0.339 0.837 1.00 1.79 H new ATOM 0 HA SER A 61 -0.804 -0.040 2.185 1.00 2.75 H new ATOM 0 HB2 SER A 61 -2.780 -1.446 4.030 1.00 3.69 H new ATOM 0 HB3 SER A 61 -1.205 -0.821 4.476 1.00 3.69 H new ATOM 0 HG SER A 61 -2.917 0.647 5.017 1.00 4.41 H new ATOM 913 N GLY A 62 -0.273 -2.712 2.995 1.00 3.15 N ATOM 914 CA GLY A 62 0.294 -4.030 2.806 1.00 3.63 C ATOM 915 C GLY A 62 1.777 -4.053 3.116 1.00 4.11 C ATOM 916 O GLY A 62 2.233 -3.315 3.989 1.00 4.49 O ATOM 0 H GLY A 62 -0.034 -2.265 3.880 1.00 3.15 H new ATOM 0 HA2 GLY A 62 -0.223 -4.744 3.448 1.00 3.63 H new ATOM 0 HA3 GLY A 62 0.132 -4.351 1.777 1.00 3.63 H new ATOM 920 N GLY A 63 2.537 -4.879 2.394 1.00 4.57 N ATOM 921 CA GLY A 63 3.970 -4.958 2.612 1.00 5.36 C ATOM 922 C GLY A 63 4.698 -3.693 2.180 1.00 5.56 C ATOM 923 O GLY A 63 5.881 -3.518 2.488 1.00 6.24 O ATOM 0 H GLY A 63 2.182 -5.494 1.662 1.00 4.57 H new ATOM 0 HA2 GLY A 63 4.163 -5.141 3.669 1.00 5.36 H new ATOM 0 HA3 GLY A 63 4.371 -5.809 2.062 1.00 5.36 H new ATOM 927 N ALA A 64 3.970 -2.823 1.469 1.00 5.28 N ATOM 928 CA ALA A 64 4.478 -1.534 0.976 1.00 5.82 C ATOM 929 C ALA A 64 5.433 -1.711 -0.205 1.00 6.16 C ATOM 930 O ALA A 64 5.190 -1.184 -1.290 1.00 6.23 O ATOM 931 CB ALA A 64 5.130 -0.725 2.095 1.00 6.29 C ATOM 0 H ALA A 64 2.997 -2.996 1.216 1.00 5.28 H new ATOM 0 HA ALA A 64 3.617 -0.970 0.616 1.00 5.82 H new ATOM 0 HB1 ALA A 64 5.494 0.221 1.695 1.00 6.29 H new ATOM 0 HB2 ALA A 64 4.397 -0.530 2.878 1.00 6.29 H new ATOM 0 HB3 ALA A 64 5.965 -1.288 2.512 1.00 6.29 H new ATOM 937 N GLY A 65 6.487 -2.484 0.000 1.00 6.75 N ATOM 938 CA GLY A 65 7.463 -2.702 -1.047 1.00 7.43 C ATOM 939 C GLY A 65 8.551 -1.650 -1.032 1.00 8.04 C ATOM 940 O GLY A 65 8.438 -0.618 -1.692 1.00 8.41 O ATOM 0 H GLY A 65 6.685 -2.967 0.877 1.00 6.75 H new ATOM 0 HA2 GLY A 65 7.910 -3.689 -0.927 1.00 7.43 H new ATOM 0 HA3 GLY A 65 6.964 -2.694 -2.016 1.00 7.43 H new ATOM 944 N GLY A 66 9.606 -1.906 -0.271 1.00 8.36 N ATOM 945 CA GLY A 66 10.697 -0.956 -0.178 1.00 9.12 C ATOM 946 C GLY A 66 11.764 -1.203 -1.226 1.00 9.70 C ATOM 947 O GLY A 66 12.791 -0.525 -1.250 1.00 10.44 O ATOM 0 H GLY A 66 9.726 -2.754 0.283 1.00 8.36 H new ATOM 0 HA2 GLY A 66 10.306 0.055 -0.291 1.00 9.12 H new ATOM 0 HA3 GLY A 66 11.144 -1.015 0.814 1.00 9.12 H new ATOM 951 N GLN A 67 11.522 -2.180 -2.088 1.00 9.54 N ATOM 952 CA GLN A 67 12.456 -2.526 -3.148 1.00 10.26 C ATOM 953 C GLN A 67 11.709 -2.898 -4.418 1.00 10.54 C ATOM 954 O GLN A 67 10.815 -3.741 -4.394 1.00 10.70 O ATOM 955 CB GLN A 67 13.351 -3.697 -2.726 1.00 10.71 C ATOM 956 CG GLN A 67 14.445 -3.310 -1.746 1.00 11.09 C ATOM 957 CD GLN A 67 15.515 -2.435 -2.374 1.00 11.64 C ATOM 958 OE1 GLN A 67 15.255 -1.670 -3.304 1.00 11.68 O ATOM 959 NE2 GLN A 67 16.731 -2.544 -1.868 1.00 12.25 N ATOM 0 H GLN A 67 10.678 -2.752 -2.072 1.00 9.54 H new ATOM 0 HA GLN A 67 13.079 -1.652 -3.339 1.00 10.26 H new ATOM 0 HB2 GLN A 67 12.731 -4.472 -2.276 1.00 10.71 H new ATOM 0 HB3 GLN A 67 13.809 -4.131 -3.615 1.00 10.71 H new ATOM 0 HG2 GLN A 67 14.000 -2.783 -0.902 1.00 11.09 H new ATOM 0 HG3 GLN A 67 14.908 -4.214 -1.350 1.00 11.09 H new ATOM 0 HE21 GLN A 67 16.907 -3.189 -1.098 1.00 12.25 H new ATOM 0 HE22 GLN A 67 17.494 -1.983 -2.248 1.00 12.25 H new ATOM 968 N GLY A 68 12.049 -2.233 -5.513 1.00 10.79 N ATOM 969 CA GLY A 68 11.441 -2.547 -6.791 1.00 11.26 C ATOM 970 C GLY A 68 12.251 -3.591 -7.534 1.00 11.69 C ATOM 971 O GLY A 68 11.792 -4.714 -7.730 1.00 11.72 O ATOM 0 H GLY A 68 12.736 -1.480 -5.540 1.00 10.79 H new ATOM 0 HA2 GLY A 68 10.426 -2.912 -6.635 1.00 11.26 H new ATOM 0 HA3 GLY A 68 11.366 -1.642 -7.394 1.00 11.26 H new ATOM 975 N MET A 69 13.455 -3.196 -7.962 1.00 12.22 N ATOM 976 CA MET A 69 14.399 -4.092 -8.645 1.00 12.82 C ATOM 977 C MET A 69 13.839 -4.666 -9.948 1.00 13.10 C ATOM 978 O MET A 69 14.453 -5.536 -10.566 1.00 13.24 O ATOM 979 CB MET A 69 14.831 -5.228 -7.714 1.00 13.26 C ATOM 980 CG MET A 69 15.592 -4.751 -6.488 1.00 13.52 C ATOM 981 SD MET A 69 17.096 -3.850 -6.909 1.00 14.03 S ATOM 982 CE MET A 69 17.733 -3.473 -5.278 1.00 14.29 C ATOM 0 H MET A 69 13.804 -2.245 -7.845 1.00 12.22 H new ATOM 0 HA MET A 69 15.266 -3.486 -8.909 1.00 12.82 H new ATOM 0 HB2 MET A 69 13.947 -5.779 -7.392 1.00 13.26 H new ATOM 0 HB3 MET A 69 15.456 -5.926 -8.271 1.00 13.26 H new ATOM 0 HG2 MET A 69 14.944 -4.109 -5.890 1.00 13.52 H new ATOM 0 HG3 MET A 69 15.849 -5.610 -5.868 1.00 13.52 H new ATOM 0 HE1 MET A 69 18.716 -3.010 -5.369 1.00 14.29 H new ATOM 0 HE2 MET A 69 17.054 -2.787 -4.772 1.00 14.29 H new ATOM 0 HE3 MET A 69 17.818 -4.393 -4.699 1.00 14.29 H new ATOM 992 N ILE A 70 12.730 -4.112 -10.406 1.00 13.36 N ATOM 993 CA ILE A 70 12.092 -4.575 -11.633 1.00 13.79 C ATOM 994 C ILE A 70 11.786 -3.374 -12.516 1.00 14.28 C ATOM 995 O ILE A 70 10.705 -2.793 -12.435 1.00 14.51 O ATOM 996 CB ILE A 70 10.777 -5.375 -11.368 1.00 13.60 C ATOM 997 CG1 ILE A 70 11.057 -6.604 -10.494 1.00 13.34 C ATOM 998 CG2 ILE A 70 10.113 -5.805 -12.689 1.00 14.13 C ATOM 999 CD1 ILE A 70 11.978 -7.623 -11.140 1.00 13.69 C ATOM 0 H ILE A 70 12.249 -3.338 -9.947 1.00 13.36 H new ATOM 0 HA ILE A 70 12.786 -5.256 -12.126 1.00 13.79 H new ATOM 0 HB ILE A 70 10.089 -4.716 -10.837 1.00 13.60 H new ATOM 0 HG12 ILE A 70 11.498 -6.275 -9.553 1.00 13.34 H new ATOM 0 HG13 ILE A 70 10.111 -7.087 -10.250 1.00 13.34 H new ATOM 0 HG21 ILE A 70 9.200 -6.360 -12.474 1.00 14.13 H new ATOM 0 HG22 ILE A 70 9.870 -4.921 -13.279 1.00 14.13 H new ATOM 0 HG23 ILE A 70 10.799 -6.439 -13.251 1.00 14.13 H new ATOM 0 HD11 ILE A 70 12.127 -8.462 -10.460 1.00 13.69 H new ATOM 0 HD12 ILE A 70 11.530 -7.982 -12.066 1.00 13.69 H new ATOM 0 HD13 ILE A 70 12.939 -7.158 -11.358 1.00 13.69 H new ATOM 1011 N GLN A 71 12.787 -2.916 -13.251 1.00 14.61 N ATOM 1012 CA GLN A 71 12.616 -1.766 -14.120 1.00 15.25 C ATOM 1013 C GLN A 71 12.715 -2.176 -15.584 1.00 16.12 C ATOM 1014 O GLN A 71 12.974 -1.349 -16.459 1.00 16.80 O ATOM 1015 CB GLN A 71 13.643 -0.681 -13.780 1.00 15.18 C ATOM 1016 CG GLN A 71 15.092 -1.149 -13.802 1.00 15.42 C ATOM 1017 CD GLN A 71 16.051 -0.086 -13.295 1.00 15.46 C ATOM 1018 OE1 GLN A 71 15.802 1.114 -13.441 1.00 15.61 O ATOM 1019 NE2 GLN A 71 17.147 -0.513 -12.685 1.00 15.48 N ATOM 0 H GLN A 71 13.723 -3.322 -13.262 1.00 14.61 H new ATOM 0 HA GLN A 71 11.620 -1.354 -13.956 1.00 15.25 H new ATOM 0 HB2 GLN A 71 13.530 0.142 -14.486 1.00 15.18 H new ATOM 0 HB3 GLN A 71 13.418 -0.284 -12.790 1.00 15.18 H new ATOM 0 HG2 GLN A 71 15.191 -2.045 -13.190 1.00 15.42 H new ATOM 0 HG3 GLN A 71 15.366 -1.426 -14.820 1.00 15.42 H new ATOM 0 HE21 GLN A 71 17.317 -1.514 -12.584 1.00 15.48 H new ATOM 0 HE22 GLN A 71 17.820 0.159 -12.317 1.00 15.48 H new ATOM 1028 N GLU A 72 12.500 -3.464 -15.836 1.00 16.21 N ATOM 1029 CA GLU A 72 12.511 -3.993 -17.196 1.00 17.08 C ATOM 1030 C GLU A 72 11.338 -3.415 -17.990 1.00 17.64 C ATOM 1031 O GLU A 72 10.302 -3.067 -17.419 1.00 17.36 O ATOM 1032 CB GLU A 72 12.494 -5.531 -17.190 1.00 17.12 C ATOM 1033 CG GLU A 72 11.193 -6.158 -16.720 1.00 16.82 C ATOM 1034 CD GLU A 72 11.256 -7.671 -16.725 1.00 16.87 C ATOM 1035 OE1 GLU A 72 11.747 -8.252 -15.734 1.00 16.46 O ATOM 1036 OE2 GLU A 72 10.835 -8.283 -17.725 1.00 17.42 O ATOM 0 H GLU A 72 12.316 -4.161 -15.115 1.00 16.21 H new ATOM 0 HA GLU A 72 13.435 -3.687 -17.687 1.00 17.08 H new ATOM 0 HB2 GLU A 72 12.707 -5.885 -18.199 1.00 17.12 H new ATOM 0 HB3 GLU A 72 13.302 -5.886 -16.550 1.00 17.12 H new ATOM 0 HG2 GLU A 72 10.965 -5.808 -15.713 1.00 16.82 H new ATOM 0 HG3 GLU A 72 10.378 -5.827 -17.364 1.00 16.82 H new ATOM 1043 N PRO A 73 11.521 -3.229 -19.306 1.00 18.53 N ATOM 1044 CA PRO A 73 10.524 -2.574 -20.162 1.00 19.22 C ATOM 1045 C PRO A 73 9.312 -3.437 -20.507 1.00 19.49 C ATOM 1046 O PRO A 73 9.216 -4.598 -20.106 1.00 19.26 O ATOM 1047 CB PRO A 73 11.321 -2.273 -21.438 1.00 20.10 C ATOM 1048 CG PRO A 73 12.336 -3.363 -21.497 1.00 20.05 C ATOM 1049 CD PRO A 73 12.721 -3.634 -20.068 1.00 19.04 C ATOM 0 HA PRO A 73 10.094 -1.708 -19.658 1.00 19.22 H new ATOM 0 HB2 PRO A 73 10.679 -2.277 -22.319 1.00 20.10 H new ATOM 0 HB3 PRO A 73 11.792 -1.291 -21.392 1.00 20.10 H new ATOM 0 HG2 PRO A 73 11.926 -4.256 -21.969 1.00 20.05 H new ATOM 0 HG3 PRO A 73 13.202 -3.061 -22.086 1.00 20.05 H new ATOM 0 HD2 PRO A 73 12.962 -4.685 -19.909 1.00 19.04 H new ATOM 0 HD3 PRO A 73 13.598 -3.058 -19.772 1.00 19.04 H new ATOM 1057 N ALA A 74 8.391 -2.813 -21.247 1.00 20.11 N ATOM 1058 CA ALA A 74 7.189 -3.448 -21.777 1.00 20.56 C ATOM 1059 C ALA A 74 6.072 -3.625 -20.746 1.00 20.94 C ATOM 1060 O ALA A 74 6.092 -4.535 -19.921 1.00 20.85 O ATOM 1061 CB ALA A 74 7.519 -4.774 -22.446 1.00 20.34 C ATOM 0 H ALA A 74 8.466 -1.827 -21.498 1.00 20.11 H new ATOM 0 HA ALA A 74 6.800 -2.757 -22.525 1.00 20.56 H new ATOM 0 HB1 ALA A 74 6.604 -5.225 -22.832 1.00 20.34 H new ATOM 0 HB2 ALA A 74 8.214 -4.604 -23.268 1.00 20.34 H new ATOM 0 HB3 ALA A 74 7.975 -5.445 -21.718 1.00 20.34 H new ATOM 1067 N LEU A 75 5.096 -2.731 -20.820 1.00 21.47 N ATOM 1068 CA LEU A 75 3.884 -2.823 -20.015 1.00 21.98 C ATOM 1069 C LEU A 75 2.774 -3.383 -20.900 1.00 22.04 C ATOM 1070 O LEU A 75 2.784 -3.151 -22.109 1.00 21.90 O ATOM 1071 CB LEU A 75 3.452 -1.445 -19.465 1.00 22.62 C ATOM 1072 CG LEU A 75 4.323 -0.819 -18.363 1.00 22.85 C ATOM 1073 CD1 LEU A 75 4.516 -1.795 -17.209 1.00 22.94 C ATOM 1074 CD2 LEU A 75 5.667 -0.358 -18.912 1.00 22.46 C ATOM 0 H LEU A 75 5.121 -1.921 -21.440 1.00 21.47 H new ATOM 0 HA LEU A 75 4.077 -3.471 -19.160 1.00 21.98 H new ATOM 0 HB2 LEU A 75 3.412 -0.746 -20.301 1.00 22.62 H new ATOM 0 HB3 LEU A 75 2.437 -1.539 -19.079 1.00 22.62 H new ATOM 0 HG LEU A 75 3.801 0.060 -17.986 1.00 22.85 H new ATOM 0 HD11 LEU A 75 5.135 -1.332 -16.441 1.00 22.94 H new ATOM 0 HD12 LEU A 75 3.546 -2.054 -16.786 1.00 22.94 H new ATOM 0 HD13 LEU A 75 5.006 -2.698 -17.574 1.00 22.94 H new ATOM 0 HD21 LEU A 75 6.258 0.080 -18.107 1.00 22.46 H new ATOM 0 HD22 LEU A 75 6.200 -1.211 -19.332 1.00 22.46 H new ATOM 0 HD23 LEU A 75 5.506 0.388 -19.690 1.00 22.46 H new ATOM 1086 N PRO A 76 1.833 -4.159 -20.350 1.00 22.33 N ATOM 1087 CA PRO A 76 0.727 -4.680 -21.139 1.00 22.55 C ATOM 1088 C PRO A 76 -0.286 -3.570 -21.432 1.00 23.16 C ATOM 1089 O PRO A 76 -0.438 -2.641 -20.633 1.00 23.54 O ATOM 1090 CB PRO A 76 0.141 -5.781 -20.250 1.00 22.90 C ATOM 1091 CG PRO A 76 0.470 -5.365 -18.854 1.00 22.69 C ATOM 1092 CD PRO A 76 1.746 -4.551 -18.930 1.00 22.58 C ATOM 0 HA PRO A 76 1.025 -5.062 -22.115 1.00 22.55 H new ATOM 0 HB2 PRO A 76 -0.936 -5.871 -20.392 1.00 22.90 H new ATOM 0 HB3 PRO A 76 0.576 -6.752 -20.486 1.00 22.90 H new ATOM 0 HG2 PRO A 76 -0.340 -4.775 -18.425 1.00 22.69 H new ATOM 0 HG3 PRO A 76 0.604 -6.236 -18.212 1.00 22.69 H new ATOM 0 HD2 PRO A 76 1.703 -3.679 -18.277 1.00 22.58 H new ATOM 0 HD3 PRO A 76 2.613 -5.137 -18.623 1.00 22.58 H new ATOM 1100 N PRO A 77 -0.899 -3.585 -22.630 1.00 23.33 N ATOM 1101 CA PRO A 77 -1.866 -2.558 -23.060 1.00 24.01 C ATOM 1102 C PRO A 77 -2.843 -2.133 -21.962 1.00 24.77 C ATOM 1103 O PRO A 77 -3.465 -2.974 -21.306 1.00 25.03 O ATOM 1104 CB PRO A 77 -2.597 -3.270 -24.201 1.00 24.14 C ATOM 1105 CG PRO A 77 -1.521 -4.070 -24.834 1.00 23.57 C ATOM 1106 CD PRO A 77 -0.688 -4.601 -23.686 1.00 23.01 C ATOM 0 HA PRO A 77 -1.379 -1.624 -23.339 1.00 24.01 H new ATOM 0 HB2 PRO A 77 -3.406 -3.901 -23.832 1.00 24.14 H new ATOM 0 HB3 PRO A 77 -3.040 -2.562 -24.902 1.00 24.14 H new ATOM 0 HG2 PRO A 77 -1.935 -4.884 -25.429 1.00 23.57 H new ATOM 0 HG3 PRO A 77 -0.919 -3.458 -25.506 1.00 23.57 H new ATOM 0 HD2 PRO A 77 -1.020 -5.589 -23.368 1.00 23.01 H new ATOM 0 HD3 PRO A 77 0.364 -4.690 -23.957 1.00 23.01 H new ATOM 1114 N GLY A 78 -2.962 -0.819 -21.769 1.00 25.21 N ATOM 1115 CA GLY A 78 -3.866 -0.297 -20.755 1.00 26.01 C ATOM 1116 C GLY A 78 -3.227 -0.089 -19.383 1.00 25.92 C ATOM 1117 O GLY A 78 -3.789 0.623 -18.549 1.00 26.59 O ATOM 0 H GLY A 78 -2.451 -0.110 -22.294 1.00 25.21 H new ATOM 0 HA2 GLY A 78 -4.270 0.654 -21.102 1.00 26.01 H new ATOM 0 HA3 GLY A 78 -4.708 -0.981 -20.650 1.00 26.01 H new ATOM 1121 N TRP A 79 -2.058 -0.681 -19.139 1.00 25.19 N ATOM 1122 CA TRP A 79 -1.405 -0.566 -17.825 1.00 25.16 C ATOM 1123 C TRP A 79 -0.396 0.590 -17.801 1.00 24.97 C ATOM 1124 O TRP A 79 0.190 0.929 -18.831 1.00 24.43 O ATOM 1125 CB TRP A 79 -0.687 -1.877 -17.478 1.00 24.58 C ATOM 1126 CG TRP A 79 -1.605 -3.035 -17.233 1.00 24.92 C ATOM 1127 CD1 TRP A 79 -2.227 -3.791 -18.177 1.00 24.92 C ATOM 1128 CD2 TRP A 79 -1.999 -3.569 -15.968 1.00 25.44 C ATOM 1129 NE1 TRP A 79 -2.940 -4.797 -17.588 1.00 25.41 N ATOM 1130 CE2 TRP A 79 -2.842 -4.667 -16.224 1.00 25.73 C ATOM 1131 CE3 TRP A 79 -1.720 -3.224 -14.647 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 -3.404 -5.428 -15.197 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 -2.278 -3.973 -13.630 1.00 26.34 C ATOM 1134 CH2 TRP A 79 -3.114 -5.060 -13.907 1.00 26.61 C ATOM 0 H TRP A 79 -1.545 -1.239 -19.821 1.00 25.19 H new ATOM 0 HA TRP A 79 -2.179 -0.362 -17.085 1.00 25.16 H new ATOM 0 HB2 TRP A 79 -0.008 -2.132 -18.291 1.00 24.58 H new ATOM 0 HB3 TRP A 79 -0.075 -1.719 -16.590 1.00 24.58 H new ATOM 0 HD1 TRP A 79 -2.166 -3.620 -19.242 1.00 24.92 H new ATOM 0 HE1 TRP A 79 -3.459 -5.524 -18.080 1.00 25.41 H new ATOM 0 HE3 TRP A 79 -1.078 -2.385 -14.422 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 -4.042 -6.273 -15.409 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 -2.065 -3.715 -12.603 1.00 26.34 H new ATOM 0 HH2 TRP A 79 -3.540 -5.621 -13.089 1.00 26.61 H new ATOM 1145 N GLU A 80 -0.247 1.232 -16.639 1.00 25.51 N ATOM 1146 CA GLU A 80 0.719 2.311 -16.456 1.00 25.50 C ATOM 1147 C GLU A 80 1.533 2.043 -15.194 1.00 25.52 C ATOM 1148 O GLU A 80 1.010 1.507 -14.213 1.00 25.91 O ATOM 1149 CB GLU A 80 -0.034 3.649 -16.336 1.00 26.28 C ATOM 1150 CG GLU A 80 0.839 4.854 -16.023 1.00 26.33 C ATOM 1151 CD GLU A 80 1.542 5.419 -17.238 1.00 26.69 C ATOM 1152 OE1 GLU A 80 2.729 5.780 -17.122 1.00 26.95 O ATOM 1153 OE2 GLU A 80 0.925 5.457 -18.323 1.00 26.80 O ATOM 0 H GLU A 80 -0.792 1.017 -15.804 1.00 25.51 H new ATOM 0 HA GLU A 80 1.395 2.361 -17.310 1.00 25.50 H new ATOM 0 HB2 GLU A 80 -0.563 3.836 -17.271 1.00 26.28 H new ATOM 0 HB3 GLU A 80 -0.789 3.554 -15.556 1.00 26.28 H new ATOM 0 HG2 GLU A 80 0.223 5.633 -15.574 1.00 26.33 H new ATOM 0 HG3 GLU A 80 1.585 4.570 -15.280 1.00 26.33 H new ATOM 1160 N MET A 81 2.802 2.418 -15.214 1.00 25.18 N ATOM 1161 CA MET A 81 3.678 2.164 -14.085 1.00 25.27 C ATOM 1162 C MET A 81 4.330 3.463 -13.613 1.00 25.77 C ATOM 1163 O MET A 81 4.906 4.192 -14.418 1.00 25.60 O ATOM 1164 CB MET A 81 4.750 1.142 -14.481 1.00 24.50 C ATOM 1165 CG MET A 81 5.628 0.661 -13.333 1.00 24.68 C ATOM 1166 SD MET A 81 6.932 1.831 -12.890 1.00 24.52 S ATOM 1167 CE MET A 81 7.878 1.901 -14.413 1.00 24.27 C ATOM 0 H MET A 81 3.246 2.898 -15.997 1.00 25.18 H new ATOM 0 HA MET A 81 3.088 1.759 -13.263 1.00 25.27 H new ATOM 0 HB2 MET A 81 4.260 0.279 -14.932 1.00 24.50 H new ATOM 0 HB3 MET A 81 5.387 1.583 -15.247 1.00 24.50 H new ATOM 0 HG2 MET A 81 5.003 0.477 -12.459 1.00 24.68 H new ATOM 0 HG3 MET A 81 6.082 -0.291 -13.607 1.00 24.68 H new ATOM 0 HE1 MET A 81 8.908 2.177 -14.189 1.00 24.27 H new ATOM 0 HE2 MET A 81 7.861 0.925 -14.897 1.00 24.27 H new ATOM 0 HE3 MET A 81 7.440 2.644 -15.079 1.00 24.27 H new ATOM 1177 N LYS A 82 4.240 3.746 -12.309 1.00 26.46 N ATOM 1178 CA LYS A 82 4.828 4.959 -11.736 1.00 27.08 C ATOM 1179 C LYS A 82 5.250 4.686 -10.286 1.00 27.55 C ATOM 1180 O LYS A 82 4.715 3.787 -9.636 1.00 27.58 O ATOM 1181 CB LYS A 82 3.848 6.156 -11.795 1.00 27.79 C ATOM 1182 CG LYS A 82 3.333 6.500 -13.190 1.00 27.45 C ATOM 1183 CD LYS A 82 2.437 7.730 -13.158 1.00 28.23 C ATOM 1184 CE LYS A 82 1.786 7.996 -14.508 1.00 28.14 C ATOM 1185 NZ LYS A 82 2.784 8.150 -15.602 1.00 28.22 N ATOM 0 H LYS A 82 3.765 3.150 -11.631 1.00 26.46 H new ATOM 0 HA LYS A 82 5.702 5.227 -12.329 1.00 27.08 H new ATOM 0 HB2 LYS A 82 2.995 5.940 -11.152 1.00 27.79 H new ATOM 0 HB3 LYS A 82 4.345 7.033 -11.381 1.00 27.79 H new ATOM 0 HG2 LYS A 82 4.176 6.678 -13.858 1.00 27.45 H new ATOM 0 HG3 LYS A 82 2.779 5.653 -13.595 1.00 27.45 H new ATOM 0 HD2 LYS A 82 1.663 7.595 -12.402 1.00 28.23 H new ATOM 0 HD3 LYS A 82 3.024 8.599 -12.861 1.00 28.23 H new ATOM 0 HE2 LYS A 82 1.110 7.176 -14.750 1.00 28.14 H new ATOM 0 HE3 LYS A 82 1.180 8.900 -14.444 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 2.468 8.893 -16.258 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 3.705 8.414 -15.197 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 2.877 7.251 -16.116 1.00 28.22 H new ATOM 1199 N TYR A 83 6.239 5.431 -9.798 1.00 27.96 N ATOM 1200 CA TYR A 83 6.735 5.248 -8.431 1.00 28.50 C ATOM 1201 C TYR A 83 6.295 6.415 -7.554 1.00 29.50 C ATOM 1202 O TYR A 83 5.970 7.487 -8.064 1.00 29.77 O ATOM 1203 CB TYR A 83 8.279 5.174 -8.414 1.00 28.32 C ATOM 1204 CG TYR A 83 8.872 3.997 -9.162 1.00 27.47 C ATOM 1205 CD1 TYR A 83 9.151 4.085 -10.520 1.00 27.19 C ATOM 1206 CD2 TYR A 83 9.170 2.809 -8.505 1.00 27.03 C ATOM 1207 CE1 TYR A 83 9.707 3.023 -11.202 1.00 26.48 C ATOM 1208 CE2 TYR A 83 9.726 1.741 -9.185 1.00 26.32 C ATOM 1209 CZ TYR A 83 9.992 1.855 -10.531 1.00 26.04 C ATOM 1210 OH TYR A 83 10.549 0.799 -11.210 1.00 25.39 O ATOM 0 H TYR A 83 6.713 6.165 -10.324 1.00 27.96 H new ATOM 0 HA TYR A 83 6.323 4.315 -8.047 1.00 28.50 H new ATOM 0 HB2 TYR A 83 8.677 6.094 -8.841 1.00 28.32 H new ATOM 0 HB3 TYR A 83 8.614 5.133 -7.378 1.00 28.32 H new ATOM 0 HD1 TYR A 83 8.929 4.999 -11.050 1.00 27.19 H new ATOM 0 HD2 TYR A 83 8.964 2.719 -7.449 1.00 27.03 H new ATOM 0 HE1 TYR A 83 9.918 3.107 -12.258 1.00 26.48 H new ATOM 0 HE2 TYR A 83 9.950 0.822 -8.663 1.00 26.32 H new ATOM 0 HH TYR A 83 10.689 0.051 -10.593 1.00 25.39 H new ATOM 1220 N THR A 84 6.270 6.211 -6.243 1.00 30.09 N ATOM 1221 CA THR A 84 5.942 7.289 -5.330 1.00 31.09 C ATOM 1222 C THR A 84 7.243 7.898 -4.805 1.00 31.47 C ATOM 1223 O THR A 84 8.325 7.352 -5.035 1.00 30.98 O ATOM 1224 CB THR A 84 5.072 6.812 -4.139 1.00 31.69 C ATOM 1225 OG1 THR A 84 5.893 6.174 -3.151 1.00 31.75 O ATOM 1226 CG2 THR A 84 4.000 5.835 -4.598 1.00 31.35 C ATOM 0 H THR A 84 6.471 5.317 -5.795 1.00 30.09 H new ATOM 0 HA THR A 84 5.357 8.029 -5.876 1.00 31.09 H new ATOM 0 HB THR A 84 4.589 7.690 -3.710 1.00 31.69 H new ATOM 0 HG1 THR A 84 5.423 6.165 -2.291 1.00 31.75 H new ATOM 0 HG21 THR A 84 3.406 5.518 -3.741 1.00 31.35 H new ATOM 0 HG22 THR A 84 3.353 6.321 -5.328 1.00 31.35 H new ATOM 0 HG23 THR A 84 4.472 4.965 -5.054 1.00 31.35 H new ATOM 1234 N SER A 85 7.140 8.976 -4.044 1.00 32.40 N ATOM 1235 CA SER A 85 8.312 9.661 -3.509 1.00 32.91 C ATOM 1236 C SER A 85 8.919 8.928 -2.305 1.00 33.07 C ATOM 1237 O SER A 85 9.863 9.418 -1.685 1.00 33.44 O ATOM 1238 CB SER A 85 7.908 11.081 -3.120 1.00 33.91 C ATOM 1239 OG SER A 85 6.590 11.103 -2.593 1.00 34.32 O ATOM 0 H SER A 85 6.251 9.400 -3.780 1.00 32.40 H new ATOM 0 HA SER A 85 9.082 9.680 -4.280 1.00 32.91 H new ATOM 0 HB2 SER A 85 8.607 11.473 -2.381 1.00 33.91 H new ATOM 0 HB3 SER A 85 7.967 11.733 -3.992 1.00 33.91 H new ATOM 0 HG SER A 85 6.351 12.021 -2.348 1.00 34.32 H new ATOM 1245 N GLU A 86 8.427 7.723 -2.034 1.00 32.82 N ATOM 1246 CA GLU A 86 8.881 6.941 -0.883 1.00 33.03 C ATOM 1247 C GLU A 86 9.490 5.621 -1.339 1.00 32.13 C ATOM 1248 O GLU A 86 9.815 4.759 -0.523 1.00 32.23 O ATOM 1249 CB GLU A 86 7.694 6.662 0.048 1.00 33.61 C ATOM 1250 CG GLU A 86 7.026 7.917 0.577 1.00 34.45 C ATOM 1251 CD GLU A 86 7.940 8.732 1.465 1.00 34.93 C ATOM 1252 OE1 GLU A 86 8.302 8.249 2.556 1.00 34.87 O ATOM 1253 OE2 GLU A 86 8.300 9.859 1.067 1.00 35.43 O ATOM 0 H GLU A 86 7.711 7.263 -2.597 1.00 32.82 H new ATOM 0 HA GLU A 86 9.642 7.512 -0.351 1.00 33.03 H new ATOM 0 HB2 GLU A 86 6.955 6.066 -0.488 1.00 33.61 H new ATOM 0 HB3 GLU A 86 8.037 6.061 0.890 1.00 33.61 H new ATOM 0 HG2 GLU A 86 6.698 8.531 -0.262 1.00 34.45 H new ATOM 0 HG3 GLU A 86 6.133 7.640 1.137 1.00 34.45 H new ATOM 1260 N GLY A 87 9.608 5.451 -2.649 1.00 31.30 N ATOM 1261 CA GLY A 87 10.163 4.226 -3.188 1.00 30.42 C ATOM 1262 C GLY A 87 9.102 3.168 -3.420 1.00 30.02 C ATOM 1263 O GLY A 87 9.397 2.078 -3.902 1.00 29.44 O ATOM 0 H GLY A 87 9.329 6.140 -3.348 1.00 31.30 H new ATOM 0 HA2 GLY A 87 10.670 4.442 -4.129 1.00 30.42 H new ATOM 0 HA3 GLY A 87 10.916 3.838 -2.502 1.00 30.42 H new ATOM 1267 N VAL A 88 7.864 3.497 -3.077 1.00 30.40 N ATOM 1268 CA VAL A 88 6.748 2.582 -3.254 1.00 30.17 C ATOM 1269 C VAL A 88 6.296 2.598 -4.712 1.00 29.38 C ATOM 1270 O VAL A 88 6.394 3.624 -5.388 1.00 29.40 O ATOM 1271 CB VAL A 88 5.566 2.949 -2.321 1.00 31.05 C ATOM 1272 CG1 VAL A 88 4.365 2.042 -2.554 1.00 30.89 C ATOM 1273 CG2 VAL A 88 5.999 2.881 -0.865 1.00 31.86 C ATOM 0 H VAL A 88 7.608 4.397 -2.672 1.00 30.40 H new ATOM 0 HA VAL A 88 7.081 1.579 -2.989 1.00 30.17 H new ATOM 0 HB VAL A 88 5.265 3.970 -2.557 1.00 31.05 H new ATOM 0 HG11 VAL A 88 3.556 2.329 -1.882 1.00 30.89 H new ATOM 0 HG12 VAL A 88 4.031 2.139 -3.587 1.00 30.89 H new ATOM 0 HG13 VAL A 88 4.647 1.007 -2.360 1.00 30.89 H new ATOM 0 HG21 VAL A 88 5.158 3.141 -0.223 1.00 31.86 H new ATOM 0 HG22 VAL A 88 6.334 1.870 -0.632 1.00 31.86 H new ATOM 0 HG23 VAL A 88 6.816 3.582 -0.695 1.00 31.86 H new ATOM 1283 N ARG A 89 5.839 1.459 -5.199 1.00 28.74 N ATOM 1284 CA ARG A 89 5.418 1.328 -6.583 1.00 27.99 C ATOM 1285 C ARG A 89 3.912 1.129 -6.669 1.00 28.23 C ATOM 1286 O ARG A 89 3.361 0.254 -6.003 1.00 28.54 O ATOM 1287 CB ARG A 89 6.140 0.136 -7.205 1.00 27.21 C ATOM 1288 CG ARG A 89 5.845 -0.103 -8.676 1.00 26.48 C ATOM 1289 CD ARG A 89 6.682 -1.263 -9.190 1.00 25.83 C ATOM 1290 NE ARG A 89 6.398 -1.603 -10.586 1.00 25.29 N ATOM 1291 CZ ARG A 89 7.342 -1.902 -11.477 1.00 24.70 C ATOM 1292 NH1 ARG A 89 8.618 -1.791 -11.141 1.00 24.55 N ATOM 1293 NH2 ARG A 89 7.009 -2.286 -12.709 1.00 24.34 N ATOM 0 H ARG A 89 5.749 0.603 -4.651 1.00 28.74 H new ATOM 0 HA ARG A 89 5.670 2.240 -7.125 1.00 27.99 H new ATOM 0 HB2 ARG A 89 7.214 0.279 -7.085 1.00 27.21 H new ATOM 0 HB3 ARG A 89 5.873 -0.762 -6.647 1.00 27.21 H new ATOM 0 HG2 ARG A 89 4.785 -0.319 -8.813 1.00 26.48 H new ATOM 0 HG3 ARG A 89 6.064 0.797 -9.251 1.00 26.48 H new ATOM 0 HD2 ARG A 89 7.738 -1.013 -9.091 1.00 25.83 H new ATOM 0 HD3 ARG A 89 6.502 -2.138 -8.565 1.00 25.83 H new ATOM 0 HE ARG A 89 5.425 -1.611 -10.892 1.00 25.29 H new ATOM 0 HH11 ARG A 89 8.873 -1.478 -10.204 1.00 24.55 H new ATOM 0 HH12 ARG A 89 9.346 -2.018 -11.819 1.00 24.55 H new ATOM 0 HH21 ARG A 89 6.026 -2.352 -12.974 1.00 24.34 H new ATOM 0 HH22 ARG A 89 7.737 -2.514 -13.386 1.00 24.34 H new ATOM 1307 N TYR A 90 3.249 1.939 -7.484 1.00 28.18 N ATOM 1308 CA TYR A 90 1.812 1.800 -7.671 1.00 28.46 C ATOM 1309 C TYR A 90 1.500 1.710 -9.161 1.00 27.80 C ATOM 1310 O TYR A 90 2.300 2.145 -9.992 1.00 27.31 O ATOM 1311 CB TYR A 90 1.030 2.948 -6.998 1.00 29.43 C ATOM 1312 CG TYR A 90 1.127 4.311 -7.661 1.00 29.57 C ATOM 1313 CD1 TYR A 90 2.255 5.105 -7.488 1.00 29.65 C ATOM 1314 CD2 TYR A 90 0.118 4.782 -8.494 1.00 29.70 C ATOM 1315 CE1 TYR A 90 2.375 6.324 -8.126 1.00 29.86 C ATOM 1316 CE2 TYR A 90 0.228 6.006 -9.131 1.00 29.91 C ATOM 1317 CZ TYR A 90 1.247 6.844 -8.808 1.00 30.05 C ATOM 1318 OH TYR A 90 1.488 7.982 -9.584 1.00 30.27 O ATOM 0 H TYR A 90 3.679 2.692 -8.021 1.00 28.18 H new ATOM 0 HA TYR A 90 1.487 0.880 -7.185 1.00 28.46 H new ATOM 0 HB2 TYR A 90 -0.021 2.664 -6.952 1.00 29.43 H new ATOM 0 HB3 TYR A 90 1.379 3.043 -5.970 1.00 29.43 H new ATOM 0 HD1 TYR A 90 3.051 4.763 -6.844 1.00 29.65 H new ATOM 0 HD2 TYR A 90 -0.767 4.182 -8.647 1.00 29.70 H new ATOM 0 HE1 TYR A 90 3.307 6.869 -8.106 1.00 29.86 H new ATOM 0 HE2 TYR A 90 -0.493 6.293 -9.882 1.00 29.91 H new ATOM 0 HH TYR A 90 0.655 8.266 -10.015 1.00 30.27 H new ATOM 1328 N PHE A 91 0.370 1.109 -9.507 1.00 27.84 N ATOM 1329 CA PHE A 91 0.018 0.936 -10.900 1.00 27.29 C ATOM 1330 C PHE A 91 -1.265 1.682 -11.225 1.00 27.91 C ATOM 1331 O PHE A 91 -2.097 1.927 -10.350 1.00 28.69 O ATOM 1332 CB PHE A 91 -0.136 -0.547 -11.239 1.00 26.81 C ATOM 1333 CG PHE A 91 1.155 -1.333 -11.175 1.00 26.08 C ATOM 1334 CD1 PHE A 91 1.594 -1.943 -9.997 1.00 25.34 C ATOM 1335 CD2 PHE A 91 1.940 -1.459 -12.312 1.00 26.22 C ATOM 1336 CE1 PHE A 91 2.780 -2.655 -9.972 1.00 24.76 C ATOM 1337 CE2 PHE A 91 3.125 -2.171 -12.283 1.00 25.66 C ATOM 1338 CZ PHE A 91 3.543 -2.767 -11.113 1.00 24.89 C ATOM 0 H PHE A 91 -0.311 0.737 -8.844 1.00 27.84 H new ATOM 0 HA PHE A 91 0.825 1.349 -11.506 1.00 27.29 H new ATOM 0 HB2 PHE A 91 -0.855 -0.993 -10.552 1.00 26.81 H new ATOM 0 HB3 PHE A 91 -0.555 -0.638 -12.241 1.00 26.81 H new ATOM 0 HD1 PHE A 91 1.002 -1.858 -9.098 1.00 25.34 H new ATOM 0 HD2 PHE A 91 1.621 -0.994 -13.233 1.00 26.22 H new ATOM 0 HE1 PHE A 91 3.108 -3.124 -9.056 1.00 24.76 H new ATOM 0 HE2 PHE A 91 3.723 -2.260 -13.178 1.00 25.66 H new ATOM 0 HZ PHE A 91 4.469 -3.322 -11.091 1.00 24.89 H new ATOM 1348 N VAL A 92 -1.407 2.061 -12.483 1.00 27.61 N ATOM 1349 CA VAL A 92 -2.574 2.807 -12.924 1.00 28.23 C ATOM 1350 C VAL A 92 -3.232 2.130 -14.123 1.00 27.94 C ATOM 1351 O VAL A 92 -2.650 2.071 -15.207 1.00 27.26 O ATOM 1352 CB VAL A 92 -2.207 4.260 -13.312 1.00 28.37 C ATOM 1353 CG1 VAL A 92 -3.450 5.060 -13.675 1.00 29.13 C ATOM 1354 CG2 VAL A 92 -1.439 4.944 -12.191 1.00 28.67 C ATOM 0 H VAL A 92 -0.728 1.864 -13.218 1.00 27.61 H new ATOM 0 HA VAL A 92 -3.270 2.828 -12.086 1.00 28.23 H new ATOM 0 HB VAL A 92 -1.563 4.217 -14.191 1.00 28.37 H new ATOM 0 HG11 VAL A 92 -3.163 6.077 -13.943 1.00 29.13 H new ATOM 0 HG12 VAL A 92 -3.951 4.589 -14.521 1.00 29.13 H new ATOM 0 HG13 VAL A 92 -4.127 5.088 -12.821 1.00 29.13 H new ATOM 0 HG21 VAL A 92 -1.193 5.963 -12.488 1.00 28.67 H new ATOM 0 HG22 VAL A 92 -2.053 4.967 -11.291 1.00 28.67 H new ATOM 0 HG23 VAL A 92 -0.520 4.393 -11.990 1.00 28.67 H new ATOM 1364 N ASP A 93 -4.438 1.615 -13.925 1.00 28.50 N ATOM 1365 CA ASP A 93 -5.186 0.999 -15.021 1.00 28.42 C ATOM 1366 C ASP A 93 -5.824 2.095 -15.871 1.00 28.86 C ATOM 1367 O ASP A 93 -6.888 2.590 -15.522 1.00 29.70 O ATOM 1368 CB ASP A 93 -6.299 0.067 -14.500 1.00 29.01 C ATOM 1369 CG ASP A 93 -5.832 -1.348 -14.249 1.00 28.68 C ATOM 1370 OD1 ASP A 93 -5.247 -1.590 -13.171 1.00 28.33 O ATOM 1371 OD2 ASP A 93 -6.017 -2.203 -15.135 1.00 28.82 O ATOM 0 H ASP A 93 -4.919 1.609 -13.025 1.00 28.50 H new ATOM 0 HA ASP A 93 -4.488 0.405 -15.610 1.00 28.42 H new ATOM 0 HB2 ASP A 93 -6.702 0.478 -13.574 1.00 29.01 H new ATOM 0 HB3 ASP A 93 -7.115 0.049 -15.223 1.00 29.01 H new ATOM 1376 N HIS A 94 -5.165 2.520 -16.951 1.00 28.36 N ATOM 1377 CA HIS A 94 -5.720 3.578 -17.809 1.00 28.81 C ATOM 1378 C HIS A 94 -6.865 3.053 -18.662 1.00 29.31 C ATOM 1379 O HIS A 94 -7.530 3.813 -19.365 1.00 29.90 O ATOM 1380 CB HIS A 94 -4.646 4.236 -18.695 1.00 28.18 C ATOM 1381 CG HIS A 94 -3.839 5.277 -17.975 1.00 28.49 C ATOM 1382 ND1 HIS A 94 -2.477 5.424 -18.127 1.00 28.32 N ATOM 1383 CD2 HIS A 94 -4.225 6.251 -17.113 1.00 29.05 C ATOM 1384 CE1 HIS A 94 -2.061 6.436 -17.385 1.00 28.75 C ATOM 1385 NE2 HIS A 94 -3.101 6.950 -16.762 1.00 29.20 N ATOM 0 H HIS A 94 -4.261 2.157 -17.252 1.00 28.36 H new ATOM 0 HA HIS A 94 -6.109 4.347 -17.142 1.00 28.81 H new ATOM 0 HB2 HIS A 94 -3.976 3.465 -19.075 1.00 28.18 H new ATOM 0 HB3 HIS A 94 -5.128 4.693 -19.559 1.00 28.18 H new ATOM 0 HD2 HIS A 94 -5.231 6.440 -16.768 1.00 29.05 H new ATOM 0 HE1 HIS A 94 -1.041 6.782 -17.304 1.00 28.75 H new ATOM 0 HE2 HIS A 94 -3.074 7.742 -16.120 1.00 29.20 H new ATOM 1394 N ASN A 95 -7.109 1.757 -18.573 1.00 29.17 N ATOM 1395 CA ASN A 95 -8.230 1.142 -19.277 1.00 29.71 C ATOM 1396 C ASN A 95 -9.535 1.436 -18.534 1.00 30.73 C ATOM 1397 O ASN A 95 -10.603 1.533 -19.139 1.00 31.42 O ATOM 1398 CB ASN A 95 -8.023 -0.380 -19.428 1.00 29.28 C ATOM 1399 CG ASN A 95 -7.897 -1.096 -18.096 1.00 29.19 C ATOM 1400 OD1 ASN A 95 -8.893 -1.505 -17.500 1.00 29.80 O ATOM 1401 ND2 ASN A 95 -6.670 -1.271 -17.628 1.00 28.49 N ATOM 0 H ASN A 95 -6.549 1.107 -18.022 1.00 29.17 H new ATOM 0 HA ASN A 95 -8.287 1.571 -20.278 1.00 29.71 H new ATOM 0 HB2 ASN A 95 -8.861 -0.802 -19.983 1.00 29.28 H new ATOM 0 HB3 ASN A 95 -7.125 -0.562 -20.019 1.00 29.28 H new ATOM 0 HD21 ASN A 95 -6.526 -1.760 -16.744 1.00 28.49 H new ATOM 0 HD22 ASN A 95 -5.869 -0.917 -18.151 1.00 28.49 H new ATOM 1408 N THR A 96 -9.440 1.570 -17.214 1.00 30.87 N ATOM 1409 CA THR A 96 -10.591 1.913 -16.388 1.00 31.86 C ATOM 1410 C THR A 96 -10.391 3.278 -15.730 1.00 32.23 C ATOM 1411 O THR A 96 -11.312 3.826 -15.118 1.00 33.14 O ATOM 1412 CB THR A 96 -10.830 0.848 -15.306 1.00 31.96 C ATOM 1413 OG1 THR A 96 -9.571 0.382 -14.814 1.00 31.19 O ATOM 1414 CG2 THR A 96 -11.637 -0.324 -15.849 1.00 32.02 C ATOM 0 H THR A 96 -8.572 1.445 -16.692 1.00 30.87 H new ATOM 0 HA THR A 96 -11.466 1.953 -17.037 1.00 31.86 H new ATOM 0 HB THR A 96 -11.402 1.303 -14.497 1.00 31.96 H new ATOM 0 HG1 THR A 96 -9.721 -0.296 -14.123 1.00 31.19 H new ATOM 0 HG21 THR A 96 -11.788 -1.059 -15.058 1.00 32.02 H new ATOM 0 HG22 THR A 96 -12.604 0.033 -16.202 1.00 32.02 H new ATOM 0 HG23 THR A 96 -11.097 -0.786 -16.675 1.00 32.02 H new ATOM 1422 N ARG A 97 -9.164 3.793 -15.840 1.00 31.56 N ATOM 1423 CA ARG A 97 -8.791 5.112 -15.307 1.00 31.87 C ATOM 1424 C ARG A 97 -8.867 5.100 -13.794 1.00 32.27 C ATOM 1425 O ARG A 97 -9.265 6.071 -13.153 1.00 33.03 O ATOM 1426 CB ARG A 97 -9.670 6.197 -15.917 1.00 32.70 C ATOM 1427 CG ARG A 97 -9.590 6.167 -17.425 1.00 32.43 C ATOM 1428 CD ARG A 97 -10.497 7.188 -18.072 1.00 33.36 C ATOM 1429 NE ARG A 97 -10.409 7.129 -19.534 1.00 33.97 N ATOM 1430 CZ ARG A 97 -10.841 8.086 -20.352 1.00 34.73 C ATOM 1431 NH1 ARG A 97 -11.362 9.201 -19.868 1.00 35.00 N ATOM 1432 NH2 ARG A 97 -10.732 7.936 -21.666 1.00 35.29 N ATOM 0 H ARG A 97 -8.396 3.307 -16.303 1.00 31.56 H new ATOM 0 HA ARG A 97 -7.761 5.337 -15.583 1.00 31.87 H new ATOM 0 HB2 ARG A 97 -10.703 6.055 -15.600 1.00 32.70 H new ATOM 0 HB3 ARG A 97 -9.356 7.174 -15.551 1.00 32.70 H new ATOM 0 HG2 ARG A 97 -8.561 6.351 -17.735 1.00 32.43 H new ATOM 0 HG3 ARG A 97 -9.857 5.172 -17.780 1.00 32.43 H new ATOM 0 HD2 ARG A 97 -11.527 7.012 -17.760 1.00 33.36 H new ATOM 0 HD3 ARG A 97 -10.226 8.187 -17.729 1.00 33.36 H new ATOM 0 HE ARG A 97 -9.989 6.299 -19.952 1.00 33.97 H new ATOM 0 HH11 ARG A 97 -11.436 9.334 -18.859 1.00 35.00 H new ATOM 0 HH12 ARG A 97 -11.690 9.928 -20.503 1.00 35.00 H new ATOM 0 HH21 ARG A 97 -10.317 7.087 -22.050 1.00 35.29 H new ATOM 0 HH22 ARG A 97 -11.063 8.670 -22.292 1.00 35.29 H new ATOM 1446 N THR A 98 -8.374 4.006 -13.258 1.00 31.75 N ATOM 1447 CA THR A 98 -8.347 3.764 -11.816 1.00 32.09 C ATOM 1448 C THR A 98 -6.906 3.524 -11.352 1.00 31.35 C ATOM 1449 O THR A 98 -5.998 3.366 -12.173 1.00 30.48 O ATOM 1450 CB THR A 98 -9.226 2.534 -11.438 1.00 32.35 C ATOM 1451 OG1 THR A 98 -9.416 2.470 -10.019 1.00 32.15 O ATOM 1452 CG2 THR A 98 -8.581 1.233 -11.913 1.00 32.59 C ATOM 0 H THR A 98 -7.974 3.246 -13.809 1.00 31.75 H new ATOM 0 HA THR A 98 -8.751 4.646 -11.318 1.00 32.09 H new ATOM 0 HB THR A 98 -10.190 2.655 -11.931 1.00 32.35 H new ATOM 0 HG1 THR A 98 -9.971 1.693 -9.798 1.00 32.15 H new ATOM 0 HG21 THR A 98 -9.215 0.390 -11.636 1.00 32.59 H new ATOM 0 HG22 THR A 98 -8.464 1.259 -12.996 1.00 32.59 H new ATOM 0 HG23 THR A 98 -7.603 1.120 -11.445 1.00 32.59 H new ATOM 1460 N THR A 99 -6.699 3.524 -10.043 1.00 31.74 N ATOM 1461 CA THR A 99 -5.376 3.275 -9.470 1.00 31.18 C ATOM 1462 C THR A 99 -5.400 1.953 -8.700 1.00 31.15 C ATOM 1463 O THR A 99 -6.366 1.678 -7.988 1.00 31.92 O ATOM 1464 CB THR A 99 -4.966 4.418 -8.505 1.00 31.73 C ATOM 1465 OG1 THR A 99 -6.051 4.677 -7.605 1.00 32.77 O ATOM 1466 CG2 THR A 99 -4.622 5.708 -9.266 1.00 31.59 C ATOM 0 H THR A 99 -7.430 3.694 -9.352 1.00 31.74 H new ATOM 0 HA THR A 99 -4.650 3.227 -10.282 1.00 31.18 H new ATOM 0 HB THR A 99 -4.077 4.102 -7.959 1.00 31.73 H new ATOM 0 HG1 THR A 99 -5.801 5.397 -6.989 1.00 32.77 H new ATOM 0 HG21 THR A 99 -4.340 6.485 -8.556 1.00 31.59 H new ATOM 0 HG22 THR A 99 -3.791 5.519 -9.946 1.00 31.59 H new ATOM 0 HG23 THR A 99 -5.491 6.036 -9.837 1.00 31.59 H new ATOM 1474 N THR A 100 -4.361 1.132 -8.826 1.00 30.32 N ATOM 1475 CA THR A 100 -4.345 -0.146 -8.137 1.00 30.31 C ATOM 1476 C THR A 100 -2.938 -0.499 -7.656 1.00 29.79 C ATOM 1477 O THR A 100 -1.934 -0.057 -8.227 1.00 29.19 O ATOM 1478 CB THR A 100 -4.893 -1.280 -9.044 1.00 29.94 C ATOM 1479 OG1 THR A 100 -5.162 -2.452 -8.265 1.00 30.23 O ATOM 1480 CG2 THR A 100 -3.914 -1.632 -10.164 1.00 28.90 C ATOM 0 H THR A 100 -3.534 1.328 -9.390 1.00 30.32 H new ATOM 0 HA THR A 100 -4.995 -0.051 -7.267 1.00 30.31 H new ATOM 0 HB THR A 100 -5.815 -0.916 -9.497 1.00 29.94 H new ATOM 0 HG1 THR A 100 -5.509 -3.160 -8.848 1.00 30.23 H new ATOM 0 HG21 THR A 100 -4.334 -2.430 -10.777 1.00 28.90 H new ATOM 0 HG22 THR A 100 -3.738 -0.753 -10.784 1.00 28.90 H new ATOM 0 HG23 THR A 100 -2.971 -1.965 -9.731 1.00 28.90 H new ATOM 1488 N PHE A 101 -2.873 -1.229 -6.553 1.00 30.11 N ATOM 1489 CA PHE A 101 -1.609 -1.702 -6.011 1.00 29.74 C ATOM 1490 C PHE A 101 -1.444 -3.177 -6.328 1.00 29.28 C ATOM 1491 O PHE A 101 -2.058 -4.033 -5.689 1.00 29.75 O ATOM 1492 CB PHE A 101 -1.536 -1.478 -4.496 1.00 30.55 C ATOM 1493 CG PHE A 101 -1.031 -0.114 -4.114 1.00 30.86 C ATOM 1494 CD1 PHE A 101 0.313 0.078 -3.839 1.00 30.67 C ATOM 1495 CD2 PHE A 101 -1.893 0.970 -4.030 1.00 31.41 C ATOM 1496 CE1 PHE A 101 0.793 1.324 -3.487 1.00 31.03 C ATOM 1497 CE2 PHE A 101 -1.417 2.220 -3.677 1.00 31.76 C ATOM 1498 CZ PHE A 101 -0.073 2.396 -3.406 1.00 31.57 C ATOM 0 H PHE A 101 -3.690 -1.509 -6.011 1.00 30.11 H new ATOM 0 HA PHE A 101 -0.801 -1.134 -6.472 1.00 29.74 H new ATOM 0 HB2 PHE A 101 -2.528 -1.623 -4.067 1.00 30.55 H new ATOM 0 HB3 PHE A 101 -0.885 -2.234 -4.056 1.00 30.55 H new ATOM 0 HD1 PHE A 101 0.994 -0.758 -3.901 1.00 30.67 H new ATOM 0 HD2 PHE A 101 -2.944 0.837 -4.242 1.00 31.41 H new ATOM 0 HE1 PHE A 101 1.843 1.460 -3.276 1.00 31.03 H new ATOM 0 HE2 PHE A 101 -2.095 3.058 -3.613 1.00 31.76 H new ATOM 0 HZ PHE A 101 0.299 3.372 -3.131 1.00 31.57 H new ATOM 1508 N LYS A 102 -0.666 -3.466 -7.359 1.00 28.42 N ATOM 1509 CA LYS A 102 -0.440 -4.839 -7.767 1.00 27.96 C ATOM 1510 C LYS A 102 1.023 -5.205 -7.572 1.00 27.32 C ATOM 1511 O LYS A 102 1.907 -4.362 -7.717 1.00 26.80 O ATOM 1512 CB LYS A 102 -0.828 -5.043 -9.237 1.00 27.61 C ATOM 1513 CG LYS A 102 -1.162 -6.487 -9.576 1.00 27.94 C ATOM 1514 CD LYS A 102 -1.203 -6.721 -11.078 1.00 27.68 C ATOM 1515 CE LYS A 102 0.176 -7.071 -11.630 1.00 27.51 C ATOM 1516 NZ LYS A 102 0.666 -8.380 -11.108 1.00 27.73 N ATOM 0 H LYS A 102 -0.183 -2.769 -7.926 1.00 28.42 H new ATOM 0 HA LYS A 102 -1.063 -5.485 -7.149 1.00 27.96 H new ATOM 0 HB2 LYS A 102 -1.688 -4.414 -9.469 1.00 27.61 H new ATOM 0 HB3 LYS A 102 -0.008 -4.708 -9.872 1.00 27.61 H new ATOM 0 HG2 LYS A 102 -0.420 -7.147 -9.126 1.00 27.94 H new ATOM 0 HG3 LYS A 102 -2.127 -6.748 -9.141 1.00 27.94 H new ATOM 0 HD2 LYS A 102 -1.901 -7.528 -11.302 1.00 27.68 H new ATOM 0 HD3 LYS A 102 -1.579 -5.827 -11.576 1.00 27.68 H new ATOM 0 HE2 LYS A 102 0.133 -7.107 -12.719 1.00 27.51 H new ATOM 0 HE3 LYS A 102 0.884 -6.286 -11.364 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 1.215 -8.864 -11.846 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 1.270 -8.218 -10.277 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 -0.145 -8.971 -10.836 1.00 27.73 H new ATOM 1530 N ASP A 103 1.265 -6.448 -7.217 1.00 27.47 N ATOM 1531 CA ASP A 103 2.592 -6.953 -7.024 1.00 26.99 C ATOM 1532 C ASP A 103 3.243 -7.268 -8.369 1.00 26.66 C ATOM 1533 O ASP A 103 2.604 -7.834 -9.257 1.00 27.04 O ATOM 1534 CB ASP A 103 2.499 -8.210 -6.164 1.00 27.47 C ATOM 1535 CG ASP A 103 1.643 -9.307 -6.794 1.00 27.51 C ATOM 1536 OD1 ASP A 103 2.115 -10.464 -6.872 1.00 27.33 O ATOM 1537 OD2 ASP A 103 0.513 -9.016 -7.235 1.00 27.82 O ATOM 0 H ASP A 103 0.532 -7.138 -7.054 1.00 27.47 H new ATOM 0 HA ASP A 103 3.210 -6.206 -6.526 1.00 26.99 H new ATOM 0 HB2 ASP A 103 3.503 -8.597 -5.988 1.00 27.47 H new ATOM 0 HB3 ASP A 103 2.083 -7.947 -5.191 1.00 27.47 H new ATOM 1542 N PRO A 104 4.483 -6.805 -8.576 1.00 26.03 N ATOM 1543 CA PRO A 104 5.229 -7.084 -9.798 1.00 25.74 C ATOM 1544 C PRO A 104 5.788 -8.501 -9.767 1.00 26.01 C ATOM 1545 O PRO A 104 5.830 -9.194 -10.784 1.00 25.99 O ATOM 1546 CB PRO A 104 6.366 -6.033 -9.796 1.00 25.14 C ATOM 1547 CG PRO A 104 6.136 -5.177 -8.585 1.00 25.07 C ATOM 1548 CD PRO A 104 5.234 -5.949 -7.661 1.00 25.65 C ATOM 0 HA PRO A 104 4.613 -7.021 -10.695 1.00 25.74 H new ATOM 0 HB2 PRO A 104 7.343 -6.515 -9.753 1.00 25.14 H new ATOM 0 HB3 PRO A 104 6.346 -5.434 -10.707 1.00 25.14 H new ATOM 0 HG2 PRO A 104 7.081 -4.943 -8.094 1.00 25.07 H new ATOM 0 HG3 PRO A 104 5.679 -4.228 -8.865 1.00 25.07 H new ATOM 0 HD2 PRO A 104 5.802 -6.533 -6.937 1.00 25.65 H new ATOM 0 HD3 PRO A 104 4.577 -5.290 -7.094 1.00 25.65 H new ATOM 1556 N ARG A 105 6.224 -8.918 -8.587 1.00 26.35 N ATOM 1557 CA ARG A 105 6.734 -10.260 -8.387 1.00 26.73 C ATOM 1558 C ARG A 105 5.770 -11.036 -7.492 1.00 27.46 C ATOM 1559 O ARG A 105 5.609 -10.676 -6.324 1.00 27.80 O ATOM 1560 CB ARG A 105 8.131 -10.227 -7.751 1.00 26.76 C ATOM 1561 CG ARG A 105 9.199 -9.607 -8.636 1.00 26.26 C ATOM 1562 CD ARG A 105 9.262 -10.305 -9.994 1.00 25.68 C ATOM 1563 NE ARG A 105 9.369 -11.760 -9.854 1.00 25.63 N ATOM 1564 CZ ARG A 105 8.818 -12.633 -10.693 1.00 25.39 C ATOM 1565 NH1 ARG A 105 8.124 -12.201 -11.741 1.00 25.18 N ATOM 1566 NH2 ARG A 105 8.945 -13.937 -10.469 1.00 25.45 N ATOM 0 H ARG A 105 6.233 -8.337 -7.748 1.00 26.35 H new ATOM 0 HA ARG A 105 6.816 -10.753 -9.355 1.00 26.73 H new ATOM 0 HB2 ARG A 105 8.080 -9.669 -6.816 1.00 26.76 H new ATOM 0 HB3 ARG A 105 8.428 -11.245 -7.499 1.00 26.76 H new ATOM 0 HG2 ARG A 105 8.988 -8.547 -8.778 1.00 26.26 H new ATOM 0 HG3 ARG A 105 10.169 -9.675 -8.143 1.00 26.26 H new ATOM 0 HD2 ARG A 105 8.370 -10.060 -10.570 1.00 25.68 H new ATOM 0 HD3 ARG A 105 10.117 -9.930 -10.556 1.00 25.68 H new ATOM 0 HE ARG A 105 9.899 -12.126 -9.063 1.00 25.63 H new ATOM 0 HH11 ARG A 105 8.014 -11.200 -11.902 1.00 25.18 H new ATOM 0 HH12 ARG A 105 7.702 -12.871 -12.384 1.00 25.18 H new ATOM 0 HH21 ARG A 105 9.464 -14.266 -9.655 1.00 25.45 H new ATOM 0 HH22 ARG A 105 8.523 -14.608 -11.111 1.00 25.45 H new ATOM 1580 N PRO A 106 5.039 -12.029 -8.038 1.00 27.81 N ATOM 1581 CA PRO A 106 4.122 -12.849 -7.238 1.00 28.58 C ATOM 1582 C PRO A 106 4.792 -13.404 -5.981 1.00 29.15 C ATOM 1583 O PRO A 106 5.854 -14.025 -6.062 1.00 29.20 O ATOM 1584 CB PRO A 106 3.750 -13.984 -8.190 1.00 28.76 C ATOM 1585 CG PRO A 106 3.843 -13.374 -9.543 1.00 28.29 C ATOM 1586 CD PRO A 106 4.978 -12.387 -9.475 1.00 27.58 C ATOM 0 HA PRO A 106 3.267 -12.278 -6.877 1.00 28.58 H new ATOM 0 HB2 PRO A 106 4.431 -14.829 -8.087 1.00 28.76 H new ATOM 0 HB3 PRO A 106 2.746 -14.358 -7.990 1.00 28.76 H new ATOM 0 HG2 PRO A 106 4.031 -14.134 -10.302 1.00 28.29 H new ATOM 0 HG3 PRO A 106 2.910 -12.878 -9.813 1.00 28.29 H new ATOM 0 HD2 PRO A 106 5.914 -12.827 -9.819 1.00 27.58 H new ATOM 0 HD3 PRO A 106 4.788 -11.513 -10.099 1.00 27.58 H new ATOM 1594 N GLY A 107 4.138 -13.236 -4.836 1.00 29.63 N ATOM 1595 CA GLY A 107 4.722 -13.692 -3.579 1.00 30.26 C ATOM 1596 C GLY A 107 5.817 -12.776 -3.013 1.00 30.07 C ATOM 1597 O GLY A 107 6.558 -13.189 -2.119 1.00 30.61 O ATOM 0 H GLY A 107 3.221 -12.796 -4.751 1.00 29.63 H new ATOM 0 HA2 GLY A 107 3.928 -13.788 -2.838 1.00 30.26 H new ATOM 0 HA3 GLY A 107 5.141 -14.687 -3.728 1.00 30.26 H new ATOM 1601 N PHE A 108 5.957 -11.557 -3.537 1.00 29.36 N ATOM 1602 CA PHE A 108 6.951 -10.614 -3.026 1.00 29.20 C ATOM 1603 C PHE A 108 6.253 -9.488 -2.256 1.00 29.85 C ATOM 1604 O PHE A 108 5.109 -9.153 -2.558 1.00 30.10 O ATOM 1605 CB PHE A 108 7.804 -10.039 -4.184 1.00 29.02 C ATOM 1606 CG PHE A 108 8.721 -8.917 -3.777 1.00 28.90 C ATOM 1607 CD1 PHE A 108 9.979 -9.187 -3.248 1.00 29.07 C ATOM 1608 CD2 PHE A 108 8.327 -7.595 -3.912 1.00 28.70 C ATOM 1609 CE1 PHE A 108 10.819 -8.161 -2.864 1.00 29.04 C ATOM 1610 CE2 PHE A 108 9.166 -6.564 -3.528 1.00 28.68 C ATOM 1611 CZ PHE A 108 10.419 -6.838 -3.046 1.00 28.85 C ATOM 0 H PHE A 108 5.397 -11.201 -4.312 1.00 29.36 H new ATOM 0 HA PHE A 108 7.620 -11.142 -2.346 1.00 29.20 H new ATOM 0 HB2 PHE A 108 8.401 -10.843 -4.614 1.00 29.02 H new ATOM 0 HB3 PHE A 108 7.137 -9.682 -4.969 1.00 29.02 H new ATOM 0 HD1 PHE A 108 10.302 -10.211 -3.136 1.00 29.07 H new ATOM 0 HD2 PHE A 108 7.354 -7.367 -4.322 1.00 28.70 H new ATOM 0 HE1 PHE A 108 11.781 -8.382 -2.425 1.00 29.04 H new ATOM 0 HE2 PHE A 108 8.832 -5.540 -3.608 1.00 28.68 H new ATOM 0 HZ PHE A 108 11.095 -6.031 -2.808 1.00 28.85 H new ATOM 1621 N GLU A 109 6.945 -8.894 -1.284 1.00 30.16 N ATOM 1622 CA GLU A 109 6.382 -7.818 -0.487 1.00 30.84 C ATOM 1623 C GLU A 109 7.509 -7.042 0.185 1.00 31.39 C ATOM 1624 O GLU A 109 8.616 -7.605 0.317 1.00 31.70 O ATOM 1625 CB GLU A 109 5.388 -8.342 0.576 1.00 30.99 C ATOM 1626 CG GLU A 109 6.021 -9.120 1.724 1.00 31.54 C ATOM 1627 CD GLU A 109 5.035 -9.387 2.839 1.00 31.75 C ATOM 1628 OE1 GLU A 109 4.242 -10.342 2.719 1.00 32.01 O ATOM 1629 OE2 GLU A 109 5.048 -8.647 3.846 1.00 31.74 O ATOM 1630 OXT GLU A 109 7.289 -5.875 0.573 1.00 31.58 O ATOM 0 H GLU A 109 7.901 -9.146 -1.033 1.00 30.16 H new ATOM 0 HA GLU A 109 5.824 -7.161 -1.154 1.00 30.84 H new ATOM 0 HB2 GLU A 109 4.842 -7.494 0.990 1.00 30.99 H new ATOM 0 HB3 GLU A 109 4.657 -8.983 0.083 1.00 30.99 H new ATOM 0 HG2 GLU A 109 6.410 -10.067 1.349 1.00 31.54 H new ATOM 0 HG3 GLU A 109 6.870 -8.560 2.117 1.00 31.54 H new TER 1637 GLU A 109